USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 862 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 Single : A 0 MET CE :methyl -140:sc= 0 (180deg=-0.0193) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -107:sc= 0.272 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A -1 HIS : no HD1:sc= -0.253 X(o=-0.25,f=-0.081) USER MOD Single : A -2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -3 HIS : no HD1:sc= -0.191 X(o=-0.19,f=-0.059) USER MOD Single : A -4 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A -5 HIS : no HD1:sc= -0.0136 X(o=-0.014,f=-0.31) USER MOD Single : A -6 HIS : no HD1:sc= -0.145 X(o=-0.14,f=-0.41) USER MOD Single : A -8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -8 MET N :NH3+ -173:sc= 0 (180deg=-0.0624) USER MOD Single : A 13 CYS SG : rot -178:sc= -1.97! USER MOD Single : A 14 GLN : amide:sc= -2.26 K(o=-2.3,f=-3.7) USER MOD Single : A 16 GLN : amide:sc= -0.761 X(o=-0.76,f=-0.41) USER MOD Single : A 17 THR OG1 : rot 85:sc= 1.24 USER MOD Single : A 20 TYR OH : rot 18:sc= -0.0259 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 26 SER OG : rot -52:sc= 0.176 USER MOD Single : A 29 SER OG : rot 180:sc= -0.127 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0472 USER MOD Single : A 31 SER OG : rot 80:sc= -1.01 USER MOD Single : A 39 CYS SG : rot 100:sc= -1.41 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -4.78! C(o=-4.8!,f=-3.8!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.117 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 64 THR OG1 : rot -80:sc= -0.751 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.0323 X(o=-0.032,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.00191 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.0027 K(o=-0.0027,f=-3.5!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -1.47! C(o=-1.5!,f=-1.6!) USER MOD Single : A 103 HIS : no HD1:sc= -2.98 X(o=-3,f=-2.8) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -8 4.616 -18.989 0.356 1.00 0.00 N ATOM 2 CA MET A -8 5.072 -17.915 1.277 1.00 0.00 C ATOM 3 C MET A -8 4.357 -18.000 2.621 1.00 0.00 C ATOM 4 O MET A -8 3.136 -17.863 2.696 1.00 0.00 O ATOM 5 CB MET A -8 4.799 -16.562 0.619 1.00 0.00 C ATOM 6 CG MET A -8 5.613 -16.320 -0.642 1.00 0.00 C ATOM 7 SD MET A -8 5.476 -14.628 -1.245 1.00 0.00 S ATOM 8 CE MET A -8 5.842 -14.856 -2.983 1.00 0.00 C ATOM 0 H1 MET A -8 5.201 -18.981 -0.504 1.00 0.00 H new ATOM 0 H2 MET A -8 4.706 -19.912 0.827 1.00 0.00 H new ATOM 0 H3 MET A -8 3.621 -18.827 0.099 1.00 0.00 H new ATOM 0 HA MET A -8 6.139 -18.034 1.465 1.00 0.00 H new ATOM 0 HB2 MET A -8 3.739 -16.494 0.375 1.00 0.00 H new ATOM 0 HB3 MET A -8 5.012 -15.769 1.336 1.00 0.00 H new ATOM 0 HG2 MET A -8 6.660 -16.546 -0.442 1.00 0.00 H new ATOM 0 HG3 MET A -8 5.281 -17.007 -1.421 1.00 0.00 H new ATOM 0 HE1 MET A -8 5.796 -13.894 -3.494 1.00 0.00 H new ATOM 0 HE2 MET A -8 6.841 -15.278 -3.092 1.00 0.00 H new ATOM 0 HE3 MET A -8 5.112 -15.535 -3.423 1.00 0.00 H new ATOM 20 N GLY A -7 5.125 -18.225 3.681 1.00 0.00 N ATOM 21 CA GLY A -7 4.550 -18.322 5.009 1.00 0.00 C ATOM 22 C GLY A -7 4.669 -17.027 5.788 1.00 0.00 C ATOM 23 O GLY A -7 3.840 -16.734 6.649 1.00 0.00 O ATOM 0 H GLY A -7 6.138 -18.342 3.644 1.00 0.00 H new ATOM 0 HA2 GLY A -7 3.499 -18.598 4.927 1.00 0.00 H new ATOM 0 HA3 GLY A -7 5.047 -19.121 5.559 1.00 0.00 H new ATOM 27 N HIS A -6 5.705 -16.251 5.484 1.00 0.00 N ATOM 28 CA HIS A -6 5.931 -14.979 6.161 1.00 0.00 C ATOM 29 C HIS A -6 4.851 -13.968 5.792 1.00 0.00 C ATOM 30 O HIS A -6 3.956 -14.262 4.998 1.00 0.00 O ATOM 31 CB HIS A -6 7.311 -14.426 5.801 1.00 0.00 C ATOM 32 CG HIS A -6 8.360 -14.719 6.828 1.00 0.00 C ATOM 33 ND1 HIS A -6 8.149 -14.573 8.183 1.00 0.00 N ATOM 34 CD2 HIS A -6 9.637 -15.152 6.692 1.00 0.00 C ATOM 35 CE1 HIS A -6 9.249 -14.902 8.837 1.00 0.00 C ATOM 36 NE2 HIS A -6 10.167 -15.258 7.956 1.00 0.00 N ATOM 0 H HIS A -6 6.400 -16.481 4.774 1.00 0.00 H new ATOM 0 HA HIS A -6 5.887 -15.153 7.236 1.00 0.00 H new ATOM 0 HB2 HIS A -6 7.623 -14.846 4.845 1.00 0.00 H new ATOM 0 HB3 HIS A -6 7.237 -13.347 5.667 1.00 0.00 H new ATOM 0 HD2 HIS A -6 10.144 -15.373 5.764 1.00 0.00 H new ATOM 0 HE1 HIS A -6 9.376 -14.883 9.909 1.00 0.00 H new ATOM 0 HE2 HIS A -6 11.115 -15.562 8.178 1.00 0.00 H new ATOM 45 N HIS A -5 4.939 -12.777 6.372 1.00 0.00 N ATOM 46 CA HIS A -5 3.969 -11.722 6.104 1.00 0.00 C ATOM 47 C HIS A -5 4.614 -10.345 6.221 1.00 0.00 C ATOM 48 O HIS A -5 5.591 -10.167 6.949 1.00 0.00 O ATOM 49 CB HIS A -5 2.787 -11.829 7.069 1.00 0.00 C ATOM 50 CG HIS A -5 3.197 -11.955 8.503 1.00 0.00 C ATOM 51 ND1 HIS A -5 3.584 -13.151 9.073 1.00 0.00 N ATOM 52 CD2 HIS A -5 3.280 -11.027 9.486 1.00 0.00 C ATOM 53 CE1 HIS A -5 3.887 -12.952 10.344 1.00 0.00 C ATOM 54 NE2 HIS A -5 3.711 -11.673 10.619 1.00 0.00 N ATOM 0 H HIS A -5 5.673 -12.517 7.031 1.00 0.00 H new ATOM 0 HA HIS A -5 3.608 -11.847 5.083 1.00 0.00 H new ATOM 0 HB2 HIS A -5 2.155 -10.948 6.956 1.00 0.00 H new ATOM 0 HB3 HIS A -5 2.182 -12.693 6.795 1.00 0.00 H new ATOM 0 HD2 HIS A -5 3.050 -9.976 9.396 1.00 0.00 H new ATOM 0 HE1 HIS A -5 4.222 -13.707 11.039 1.00 0.00 H new ATOM 0 HE2 HIS A -5 3.869 -11.235 11.526 1.00 0.00 H new ATOM 63 N HIS A -4 4.061 -9.374 5.503 1.00 0.00 N ATOM 64 CA HIS A -4 4.582 -8.013 5.527 1.00 0.00 C ATOM 65 C HIS A -4 6.028 -7.975 5.045 1.00 0.00 C ATOM 66 O HIS A -4 6.958 -8.191 5.823 1.00 0.00 O ATOM 67 CB HIS A -4 4.486 -7.433 6.939 1.00 0.00 C ATOM 68 CG HIS A -4 3.109 -6.976 7.305 1.00 0.00 C ATOM 69 ND1 HIS A -4 1.983 -7.333 6.593 1.00 0.00 N ATOM 70 CD2 HIS A -4 2.676 -6.185 8.316 1.00 0.00 C ATOM 71 CE1 HIS A -4 0.919 -6.781 7.149 1.00 0.00 C ATOM 72 NE2 HIS A -4 1.313 -6.081 8.196 1.00 0.00 N ATOM 0 H HIS A -4 3.251 -9.505 4.897 1.00 0.00 H new ATOM 0 HA HIS A -4 3.978 -7.407 4.852 1.00 0.00 H new ATOM 0 HB2 HIS A -4 4.812 -8.187 7.656 1.00 0.00 H new ATOM 0 HB3 HIS A -4 5.174 -6.592 7.025 1.00 0.00 H new ATOM 0 HD2 HIS A -4 3.289 -5.722 9.075 1.00 0.00 H new ATOM 0 HE1 HIS A -4 -0.100 -6.885 6.805 1.00 0.00 H new ATOM 0 HE2 HIS A -4 0.703 -5.549 8.816 1.00 0.00 H new ATOM 81 N HIS A -3 6.211 -7.696 3.758 1.00 0.00 N ATOM 82 CA HIS A -3 7.544 -7.629 3.171 1.00 0.00 C ATOM 83 C HIS A -3 8.243 -6.318 3.529 1.00 0.00 C ATOM 84 O HIS A -3 9.455 -6.186 3.355 1.00 0.00 O ATOM 85 CB HIS A -3 7.460 -7.778 1.650 1.00 0.00 C ATOM 86 CG HIS A -3 7.866 -9.133 1.158 1.00 0.00 C ATOM 87 ND1 HIS A -3 7.118 -9.863 0.258 1.00 0.00 N ATOM 88 CD2 HIS A -3 8.950 -9.891 1.446 1.00 0.00 C ATOM 89 CE1 HIS A -3 7.725 -11.011 0.014 1.00 0.00 C ATOM 90 NE2 HIS A -3 8.838 -11.052 0.723 1.00 0.00 N ATOM 0 H HIS A -3 5.452 -7.513 3.102 1.00 0.00 H new ATOM 0 HA HIS A -3 8.132 -8.450 3.581 1.00 0.00 H new ATOM 0 HB2 HIS A -3 6.438 -7.575 1.329 1.00 0.00 H new ATOM 0 HB3 HIS A -3 8.096 -7.026 1.184 1.00 0.00 H new ATOM 0 HD2 HIS A -3 9.753 -9.631 2.119 1.00 0.00 H new ATOM 0 HE1 HIS A -3 7.371 -11.784 -0.652 1.00 0.00 H new ATOM 0 HE2 HIS A -3 9.507 -11.822 0.732 1.00 0.00 H new ATOM 99 N HIS A -2 7.476 -5.350 4.027 1.00 0.00 N ATOM 100 CA HIS A -2 8.026 -4.052 4.405 1.00 0.00 C ATOM 101 C HIS A -2 8.448 -3.261 3.171 1.00 0.00 C ATOM 102 O HIS A -2 7.856 -2.230 2.851 1.00 0.00 O ATOM 103 CB HIS A -2 9.223 -4.230 5.345 1.00 0.00 C ATOM 104 CG HIS A -2 9.612 -2.973 6.062 1.00 0.00 C ATOM 105 ND1 HIS A -2 10.559 -2.093 5.580 1.00 0.00 N ATOM 106 CD2 HIS A -2 9.177 -2.450 7.233 1.00 0.00 C ATOM 107 CE1 HIS A -2 10.691 -1.085 6.423 1.00 0.00 C ATOM 108 NE2 HIS A -2 9.864 -1.278 7.433 1.00 0.00 N ATOM 0 H HIS A -2 6.471 -5.441 4.178 1.00 0.00 H new ATOM 0 HA HIS A -2 7.247 -3.495 4.925 1.00 0.00 H new ATOM 0 HB2 HIS A -2 8.987 -5.000 6.080 1.00 0.00 H new ATOM 0 HB3 HIS A -2 10.076 -4.590 4.770 1.00 0.00 H new ATOM 0 HD2 HIS A -2 8.430 -2.875 7.887 1.00 0.00 H new ATOM 0 HE1 HIS A -2 11.361 -0.246 6.306 1.00 0.00 H new ATOM 0 HE2 HIS A -2 9.753 -0.656 8.234 1.00 0.00 H new ATOM 117 N HIS A -1 9.472 -3.751 2.480 1.00 0.00 N ATOM 118 CA HIS A -1 9.970 -3.091 1.280 1.00 0.00 C ATOM 119 C HIS A -1 9.520 -3.830 0.024 1.00 0.00 C ATOM 120 O HIS A -1 10.196 -3.799 -1.003 1.00 0.00 O ATOM 121 CB HIS A -1 11.497 -3.007 1.316 1.00 0.00 C ATOM 122 CG HIS A -1 12.166 -4.329 1.526 1.00 0.00 C ATOM 123 ND1 HIS A -1 12.809 -4.670 2.697 1.00 0.00 N ATOM 124 CD2 HIS A -1 12.286 -5.401 0.706 1.00 0.00 C ATOM 125 CE1 HIS A -1 13.298 -5.893 2.589 1.00 0.00 C ATOM 126 NE2 HIS A -1 12.994 -6.358 1.392 1.00 0.00 N ATOM 0 H HIS A -1 9.973 -4.603 2.731 1.00 0.00 H new ATOM 0 HA HIS A -1 9.557 -2.083 1.253 1.00 0.00 H new ATOM 0 HB2 HIS A -1 11.851 -2.575 0.380 1.00 0.00 H new ATOM 0 HB3 HIS A -1 11.796 -2.327 2.114 1.00 0.00 H new ATOM 0 HD2 HIS A -1 11.898 -5.487 -0.298 1.00 0.00 H new ATOM 0 HE1 HIS A -1 13.852 -6.422 3.351 1.00 0.00 H new ATOM 0 HE2 HIS A -1 13.244 -7.280 1.034 1.00 0.00 H new ATOM 135 N MET A 0 8.372 -4.496 0.115 1.00 0.00 N ATOM 136 CA MET A 0 7.830 -5.245 -1.013 1.00 0.00 C ATOM 137 C MET A 0 6.453 -5.808 -0.678 1.00 0.00 C ATOM 138 O MET A 0 6.104 -6.913 -1.095 1.00 0.00 O ATOM 139 CB MET A 0 8.777 -6.380 -1.403 1.00 0.00 C ATOM 140 CG MET A 0 8.606 -6.849 -2.839 1.00 0.00 C ATOM 141 SD MET A 0 9.344 -5.718 -4.032 1.00 0.00 S ATOM 142 CE MET A 0 11.071 -6.173 -3.910 1.00 0.00 C ATOM 0 H MET A 0 7.800 -4.532 0.959 1.00 0.00 H new ATOM 0 HA MET A 0 7.729 -4.562 -1.856 1.00 0.00 H new ATOM 0 HB2 MET A 0 9.806 -6.050 -1.257 1.00 0.00 H new ATOM 0 HB3 MET A 0 8.615 -7.224 -0.732 1.00 0.00 H new ATOM 0 HG2 MET A 0 9.058 -7.835 -2.951 1.00 0.00 H new ATOM 0 HG3 MET A 0 7.544 -6.958 -3.057 1.00 0.00 H new ATOM 0 HE1 MET A 0 11.687 -5.275 -3.949 1.00 0.00 H new ATOM 0 HE2 MET A 0 11.245 -6.692 -2.967 1.00 0.00 H new ATOM 0 HE3 MET A 0 11.334 -6.830 -4.739 1.00 0.00 H new ATOM 152 N GLY A 1 5.673 -5.041 0.078 1.00 0.00 N ATOM 153 CA GLY A 1 4.345 -5.479 0.456 1.00 0.00 C ATOM 154 C GLY A 1 3.361 -4.330 0.551 1.00 0.00 C ATOM 155 O GLY A 1 2.483 -4.182 -0.299 1.00 0.00 O ATOM 0 H GLY A 1 5.939 -4.123 0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.983 -6.204 -0.274 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.394 -5.991 1.417 1.00 0.00 H new ATOM 159 N SER A 2 3.507 -3.513 1.590 1.00 0.00 N ATOM 160 CA SER A 2 2.624 -2.371 1.794 1.00 0.00 C ATOM 161 C SER A 2 2.832 -1.322 0.706 1.00 0.00 C ATOM 162 O SER A 2 1.898 -0.615 0.324 1.00 0.00 O ATOM 163 CB SER A 2 2.868 -1.751 3.170 1.00 0.00 C ATOM 164 OG SER A 2 1.997 -2.306 4.140 1.00 0.00 O ATOM 0 H SER A 2 4.228 -3.621 2.303 1.00 0.00 H new ATOM 0 HA SER A 2 1.594 -2.725 1.740 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.903 -1.917 3.469 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.720 -0.672 3.118 1.00 0.00 H new ATOM 0 HG SER A 2 2.174 -1.895 5.012 1.00 0.00 H new ATOM 170 N ALA A 3 4.061 -1.226 0.209 1.00 0.00 N ATOM 171 CA ALA A 3 4.391 -0.264 -0.835 1.00 0.00 C ATOM 172 C ALA A 3 3.877 -0.732 -2.193 1.00 0.00 C ATOM 173 O ALA A 3 3.378 0.065 -2.987 1.00 0.00 O ATOM 174 CB ALA A 3 5.894 -0.036 -0.887 1.00 0.00 C ATOM 0 H ALA A 3 4.845 -1.803 0.513 1.00 0.00 H new ATOM 0 HA ALA A 3 3.901 0.679 -0.595 1.00 0.00 H new ATOM 0 HB1 ALA A 3 6.126 0.685 -1.671 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.237 0.350 0.073 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.398 -0.979 -1.100 1.00 0.00 H new ATOM 180 N GLY A 4 4.004 -2.029 -2.452 1.00 0.00 N ATOM 181 CA GLY A 4 3.548 -2.582 -3.714 1.00 0.00 C ATOM 182 C GLY A 4 2.039 -2.699 -3.783 1.00 0.00 C ATOM 183 O GLY A 4 1.454 -2.649 -4.866 1.00 0.00 O ATOM 0 H GLY A 4 4.415 -2.707 -1.810 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.898 -1.952 -4.531 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.993 -3.567 -3.858 1.00 0.00 H new ATOM 187 N THR A 5 1.405 -2.856 -2.625 1.00 0.00 N ATOM 188 CA THR A 5 -0.046 -2.981 -2.558 1.00 0.00 C ATOM 189 C THR A 5 -0.726 -1.642 -2.838 1.00 0.00 C ATOM 190 O THR A 5 -1.894 -1.598 -3.227 1.00 0.00 O ATOM 191 CB THR A 5 -0.471 -3.502 -1.185 1.00 0.00 C ATOM 192 OG1 THR A 5 0.331 -2.939 -0.163 1.00 0.00 O ATOM 193 CG2 THR A 5 -0.380 -5.008 -1.063 1.00 0.00 C ATOM 0 H THR A 5 1.874 -2.900 -1.720 1.00 0.00 H new ATOM 0 HA THR A 5 -0.357 -3.692 -3.323 1.00 0.00 H new ATOM 0 HB THR A 5 -1.514 -3.206 -1.075 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.951 -3.617 0.177 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.696 -5.312 -0.065 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.028 -5.473 -1.806 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.649 -5.325 -1.230 1.00 0.00 H new ATOM 201 N GLN A 6 0.009 -0.552 -2.638 1.00 0.00 N ATOM 202 CA GLN A 6 -0.526 0.786 -2.868 1.00 0.00 C ATOM 203 C GLN A 6 -1.038 0.936 -4.298 1.00 0.00 C ATOM 204 O GLN A 6 -2.003 1.660 -4.549 1.00 0.00 O ATOM 205 CB GLN A 6 0.547 1.840 -2.587 1.00 0.00 C ATOM 206 CG GLN A 6 0.569 2.316 -1.144 1.00 0.00 C ATOM 207 CD GLN A 6 1.539 3.461 -0.923 1.00 0.00 C ATOM 208 OE1 GLN A 6 1.566 4.423 -1.690 1.00 0.00 O ATOM 209 NE2 GLN A 6 2.342 3.361 0.130 1.00 0.00 N ATOM 0 H GLN A 6 0.977 -0.569 -2.317 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.364 0.934 -2.187 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.524 1.428 -2.840 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.383 2.697 -3.241 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.433 2.632 -0.854 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.841 1.484 -0.495 1.00 0.00 H new ATOM 0 HE21 GLN A 6 2.285 2.545 0.739 1.00 0.00 H new ATOM 0 HE22 GLN A 6 3.016 4.100 0.330 1.00 0.00 H new ATOM 218 N GLU A 7 -0.387 0.250 -5.232 1.00 0.00 N ATOM 219 CA GLU A 7 -0.779 0.312 -6.635 1.00 0.00 C ATOM 220 C GLU A 7 -2.190 -0.233 -6.836 1.00 0.00 C ATOM 221 O GLU A 7 -3.013 0.383 -7.513 1.00 0.00 O ATOM 222 CB GLU A 7 0.211 -0.475 -7.497 1.00 0.00 C ATOM 223 CG GLU A 7 0.509 0.183 -8.835 1.00 0.00 C ATOM 224 CD GLU A 7 1.819 -0.287 -9.436 1.00 0.00 C ATOM 225 OE1 GLU A 7 1.882 -1.453 -9.882 1.00 0.00 O ATOM 226 OE2 GLU A 7 2.781 0.509 -9.462 1.00 0.00 O ATOM 0 H GLU A 7 0.413 -0.354 -5.043 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.769 1.358 -6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.143 -0.597 -6.946 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.188 -1.474 -7.673 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -0.303 -0.031 -9.530 1.00 0.00 H new ATOM 0 HG3 GLU A 7 0.540 1.265 -8.705 1.00 0.00 H new ATOM 233 N GLU A 8 -2.465 -1.389 -6.242 1.00 0.00 N ATOM 234 CA GLU A 8 -3.779 -2.011 -6.357 1.00 0.00 C ATOM 235 C GLU A 8 -4.820 -1.237 -5.556 1.00 0.00 C ATOM 236 O GLU A 8 -5.991 -1.188 -5.928 1.00 0.00 O ATOM 237 CB GLU A 8 -3.726 -3.466 -5.884 1.00 0.00 C ATOM 238 CG GLU A 8 -3.409 -3.617 -4.405 1.00 0.00 C ATOM 239 CD GLU A 8 -3.849 -4.957 -3.849 1.00 0.00 C ATOM 240 OE1 GLU A 8 -4.023 -5.903 -4.648 1.00 0.00 O ATOM 241 OE2 GLU A 8 -4.022 -5.061 -2.617 1.00 0.00 O ATOM 0 H GLU A 8 -1.797 -1.913 -5.677 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.070 -1.992 -7.407 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.685 -3.941 -6.091 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.973 -4.000 -6.464 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.336 -3.499 -4.253 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.899 -2.818 -3.849 1.00 0.00 H new ATOM 248 N LEU A 9 -4.384 -0.631 -4.456 1.00 0.00 N ATOM 249 CA LEU A 9 -5.279 0.143 -3.606 1.00 0.00 C ATOM 250 C LEU A 9 -5.743 1.410 -4.318 1.00 0.00 C ATOM 251 O LEU A 9 -6.932 1.726 -4.335 1.00 0.00 O ATOM 252 CB LEU A 9 -4.583 0.504 -2.290 1.00 0.00 C ATOM 253 CG LEU A 9 -5.008 -0.331 -1.082 1.00 0.00 C ATOM 254 CD1 LEU A 9 -6.506 -0.206 -0.847 1.00 0.00 C ATOM 255 CD2 LEU A 9 -4.618 -1.788 -1.278 1.00 0.00 C ATOM 0 H LEU A 9 -3.417 -0.662 -4.133 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.154 -0.469 -3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.507 0.398 -2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.775 1.555 -2.072 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.490 0.049 -0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.790 -0.807 0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.759 0.838 -0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.043 -0.559 -1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.928 -2.368 -0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.109 -2.179 -2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.537 -1.862 -1.397 1.00 0.00 H new ATOM 267 N LEU A 10 -4.793 2.131 -4.908 1.00 0.00 N ATOM 268 CA LEU A 10 -5.102 3.363 -5.624 1.00 0.00 C ATOM 269 C LEU A 10 -5.996 3.080 -6.827 1.00 0.00 C ATOM 270 O LEU A 10 -6.860 3.886 -7.176 1.00 0.00 O ATOM 271 CB LEU A 10 -3.813 4.048 -6.082 1.00 0.00 C ATOM 272 CG LEU A 10 -3.990 5.472 -6.617 1.00 0.00 C ATOM 273 CD1 LEU A 10 -3.450 6.489 -5.625 1.00 0.00 C ATOM 274 CD2 LEU A 10 -3.304 5.625 -7.967 1.00 0.00 C ATOM 0 H LEU A 10 -3.804 1.883 -4.904 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.636 4.027 -4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.117 4.075 -5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.352 3.439 -6.860 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.056 5.657 -6.750 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.585 7.494 -6.024 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.988 6.398 -4.681 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.389 6.305 -5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.441 6.643 -8.331 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.239 5.418 -7.860 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.740 4.924 -8.678 1.00 0.00 H new ATOM 286 N ARG A 11 -5.784 1.930 -7.459 1.00 0.00 N ATOM 287 CA ARG A 11 -6.572 1.540 -8.622 1.00 0.00 C ATOM 288 C ARG A 11 -8.029 1.302 -8.237 1.00 0.00 C ATOM 289 O ARG A 11 -8.943 1.639 -8.990 1.00 0.00 O ATOM 290 CB ARG A 11 -5.988 0.278 -9.260 1.00 0.00 C ATOM 291 CG ARG A 11 -4.794 0.548 -10.162 1.00 0.00 C ATOM 292 CD ARG A 11 -4.580 -0.579 -11.161 1.00 0.00 C ATOM 293 NE ARG A 11 -4.783 -0.133 -12.537 1.00 0.00 N ATOM 294 CZ ARG A 11 -4.969 -0.959 -13.564 1.00 0.00 C ATOM 295 NH1 ARG A 11 -4.982 -2.273 -13.374 1.00 0.00 N ATOM 296 NH2 ARG A 11 -5.145 -0.470 -14.784 1.00 0.00 N ATOM 0 H ARG A 11 -5.073 1.252 -7.185 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.535 2.355 -9.345 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.688 -0.412 -8.471 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.766 -0.219 -9.840 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.946 1.485 -10.697 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.898 0.670 -9.553 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.570 -0.973 -11.053 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.267 -1.396 -10.939 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.782 0.870 -12.722 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.849 -2.654 -12.437 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.125 -2.901 -14.165 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.138 0.539 -14.935 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.288 -1.103 -15.571 1.00 0.00 H new ATOM 310 N TRP A 12 -8.238 0.718 -7.062 1.00 0.00 N ATOM 311 CA TRP A 12 -9.583 0.432 -6.577 1.00 0.00 C ATOM 312 C TRP A 12 -10.337 1.721 -6.267 1.00 0.00 C ATOM 313 O TRP A 12 -11.535 1.831 -6.530 1.00 0.00 O ATOM 314 CB TRP A 12 -9.519 -0.448 -5.328 1.00 0.00 C ATOM 315 CG TRP A 12 -10.858 -0.963 -4.894 1.00 0.00 C ATOM 316 CD1 TRP A 12 -11.586 -1.953 -5.486 1.00 0.00 C ATOM 317 CD2 TRP A 12 -11.628 -0.514 -3.772 1.00 0.00 C ATOM 318 NE1 TRP A 12 -12.762 -2.148 -4.803 1.00 0.00 N ATOM 319 CE2 TRP A 12 -12.811 -1.276 -3.746 1.00 0.00 C ATOM 320 CE3 TRP A 12 -11.431 0.459 -2.788 1.00 0.00 C ATOM 321 CZ2 TRP A 12 -13.792 -1.094 -2.775 1.00 0.00 C ATOM 322 CZ3 TRP A 12 -12.405 0.638 -1.824 1.00 0.00 C ATOM 323 CH2 TRP A 12 -13.573 -0.136 -1.824 1.00 0.00 C ATOM 0 H TRP A 12 -7.492 0.433 -6.427 1.00 0.00 H new ATOM 0 HA TRP A 12 -10.120 -0.100 -7.362 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -8.858 -1.293 -5.521 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.076 0.123 -4.512 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -11.282 -2.504 -6.364 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -13.481 -2.830 -5.043 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.534 1.060 -2.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.694 -1.688 -2.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.264 1.386 -1.058 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.316 0.027 -1.057 1.00 0.00 H new ATOM 334 N CYS A 13 -9.629 2.694 -5.703 1.00 0.00 N ATOM 335 CA CYS A 13 -10.233 3.975 -5.354 1.00 0.00 C ATOM 336 C CYS A 13 -10.695 4.718 -6.604 1.00 0.00 C ATOM 337 O CYS A 13 -11.803 5.252 -6.646 1.00 0.00 O ATOM 338 CB CYS A 13 -9.237 4.837 -4.574 1.00 0.00 C ATOM 339 SG CYS A 13 -10.010 5.992 -3.420 1.00 0.00 S ATOM 0 H CYS A 13 -8.637 2.620 -5.478 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.103 3.779 -4.727 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -8.562 4.184 -4.021 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -8.627 5.399 -5.281 1.00 0.00 H new ATOM 0 HG CYS A 13 -9.091 6.700 -2.833 1.00 0.00 H new ATOM 345 N GLN A 14 -9.839 4.748 -7.621 1.00 0.00 N ATOM 346 CA GLN A 14 -10.162 5.426 -8.870 1.00 0.00 C ATOM 347 C GLN A 14 -11.290 4.708 -9.604 1.00 0.00 C ATOM 348 O GLN A 14 -12.168 5.345 -10.186 1.00 0.00 O ATOM 349 CB GLN A 14 -8.924 5.511 -9.765 1.00 0.00 C ATOM 350 CG GLN A 14 -9.031 6.568 -10.854 1.00 0.00 C ATOM 351 CD GLN A 14 -10.099 6.243 -11.879 1.00 0.00 C ATOM 352 OE1 GLN A 14 -10.298 5.084 -12.239 1.00 0.00 O ATOM 353 NE2 GLN A 14 -10.794 7.271 -12.355 1.00 0.00 N ATOM 0 H GLN A 14 -8.918 4.311 -7.604 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.496 6.435 -8.630 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.053 5.726 -9.146 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.754 4.539 -10.229 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -9.252 7.533 -10.398 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.068 6.666 -11.356 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.595 8.216 -12.028 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.526 7.115 -13.047 1.00 0.00 H new ATOM 362 N GLU A 15 -11.265 3.380 -9.568 1.00 0.00 N ATOM 363 CA GLU A 15 -12.291 2.582 -10.230 1.00 0.00 C ATOM 364 C GLU A 15 -13.645 2.786 -9.556 1.00 0.00 C ATOM 365 O GLU A 15 -14.659 2.982 -10.226 1.00 0.00 O ATOM 366 CB GLU A 15 -11.913 1.100 -10.203 1.00 0.00 C ATOM 367 CG GLU A 15 -12.473 0.307 -11.374 1.00 0.00 C ATOM 368 CD GLU A 15 -13.365 -0.836 -10.931 1.00 0.00 C ATOM 369 OE1 GLU A 15 -12.925 -1.637 -10.079 1.00 0.00 O ATOM 370 OE2 GLU A 15 -14.503 -0.932 -11.436 1.00 0.00 O ATOM 0 H GLU A 15 -10.548 2.835 -9.089 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.363 2.909 -11.267 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.827 1.011 -10.201 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.271 0.659 -9.272 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.040 0.975 -12.022 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.649 -0.089 -11.967 1.00 0.00 H new ATOM 377 N GLN A 16 -13.649 2.742 -8.229 1.00 0.00 N ATOM 378 CA GLN A 16 -14.875 2.926 -7.463 1.00 0.00 C ATOM 379 C GLN A 16 -15.399 4.350 -7.617 1.00 0.00 C ATOM 380 O GLN A 16 -16.608 4.585 -7.577 1.00 0.00 O ATOM 381 CB GLN A 16 -14.630 2.615 -5.984 1.00 0.00 C ATOM 382 CG GLN A 16 -14.919 1.171 -5.611 1.00 0.00 C ATOM 383 CD GLN A 16 -16.401 0.856 -5.603 1.00 0.00 C ATOM 384 OE1 GLN A 16 -16.871 0.012 -6.366 1.00 0.00 O ATOM 385 NE2 GLN A 16 -17.146 1.534 -4.739 1.00 0.00 N ATOM 0 H GLN A 16 -12.817 2.581 -7.661 1.00 0.00 H new ATOM 0 HA GLN A 16 -15.625 2.237 -7.850 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -13.593 2.844 -5.740 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -15.253 3.271 -5.375 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -14.415 0.510 -6.316 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.502 0.964 -4.625 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -16.714 2.225 -4.125 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -18.151 1.364 -4.689 1.00 0.00 H new ATOM 394 N THR A 17 -14.484 5.295 -7.797 1.00 0.00 N ATOM 395 CA THR A 17 -14.850 6.697 -7.960 1.00 0.00 C ATOM 396 C THR A 17 -15.112 7.036 -9.428 1.00 0.00 C ATOM 397 O THR A 17 -15.301 8.200 -9.779 1.00 0.00 O ATOM 398 CB THR A 17 -13.747 7.601 -7.408 1.00 0.00 C ATOM 399 OG1 THR A 17 -13.479 7.292 -6.051 1.00 0.00 O ATOM 400 CG2 THR A 17 -14.084 9.074 -7.486 1.00 0.00 C ATOM 0 H THR A 17 -13.481 5.115 -7.834 1.00 0.00 H new ATOM 0 HA THR A 17 -15.770 6.868 -7.401 1.00 0.00 H new ATOM 0 HB THR A 17 -12.877 7.412 -8.036 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.845 6.546 -6.004 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.259 9.658 -7.078 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.248 9.355 -8.526 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.988 9.271 -6.910 1.00 0.00 H new ATOM 408 N ALA A 18 -15.122 6.015 -10.284 1.00 0.00 N ATOM 409 CA ALA A 18 -15.362 6.219 -11.707 1.00 0.00 C ATOM 410 C ALA A 18 -16.852 6.363 -11.998 1.00 0.00 C ATOM 411 O ALA A 18 -17.659 5.533 -11.579 1.00 0.00 O ATOM 412 CB ALA A 18 -14.774 5.068 -12.509 1.00 0.00 C ATOM 0 H ALA A 18 -14.967 5.043 -10.016 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.870 7.145 -12.005 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -14.960 5.232 -13.570 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.700 5.013 -12.333 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -15.241 4.133 -12.199 1.00 0.00 H new ATOM 418 N GLY A 19 -17.210 7.420 -12.718 1.00 0.00 N ATOM 419 CA GLY A 19 -18.603 7.654 -13.051 1.00 0.00 C ATOM 420 C GLY A 19 -18.979 9.122 -12.989 1.00 0.00 C ATOM 421 O GLY A 19 -19.930 9.554 -13.641 1.00 0.00 O ATOM 0 H GLY A 19 -16.560 8.119 -13.077 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -18.802 7.274 -14.053 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -19.236 7.091 -12.365 1.00 0.00 H new ATOM 425 N TYR A 20 -18.230 9.891 -12.204 1.00 0.00 N ATOM 426 CA TYR A 20 -18.491 11.319 -12.061 1.00 0.00 C ATOM 427 C TYR A 20 -17.803 12.110 -13.176 1.00 0.00 C ATOM 428 O TYR A 20 -16.583 12.040 -13.328 1.00 0.00 O ATOM 429 CB TYR A 20 -18.004 11.809 -10.697 1.00 0.00 C ATOM 430 CG TYR A 20 -18.550 11.009 -9.535 1.00 0.00 C ATOM 431 CD1 TYR A 20 -18.001 9.778 -9.196 1.00 0.00 C ATOM 432 CD2 TYR A 20 -19.614 11.483 -8.779 1.00 0.00 C ATOM 433 CE1 TYR A 20 -18.499 9.043 -8.137 1.00 0.00 C ATOM 434 CE2 TYR A 20 -20.117 10.754 -7.717 1.00 0.00 C ATOM 435 CZ TYR A 20 -19.556 9.535 -7.401 1.00 0.00 C ATOM 436 OH TYR A 20 -20.054 8.805 -6.347 1.00 0.00 O ATOM 0 H TYR A 20 -17.439 9.550 -11.658 1.00 0.00 H new ATOM 0 HA TYR A 20 -19.566 11.480 -12.135 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -16.915 11.770 -10.674 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -18.288 12.854 -10.573 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -17.172 9.390 -9.769 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -20.056 12.437 -9.025 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -18.062 8.087 -7.887 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -20.945 11.137 -7.139 1.00 0.00 H new ATOM 0 HH TYR A 20 -19.393 8.137 -6.071 1.00 0.00 H new ATOM 446 N PRO A 21 -18.574 12.871 -13.978 1.00 0.00 N ATOM 447 CA PRO A 21 -18.023 13.667 -15.083 1.00 0.00 C ATOM 448 C PRO A 21 -17.150 14.825 -14.598 1.00 0.00 C ATOM 449 O PRO A 21 -17.448 15.990 -14.860 1.00 0.00 O ATOM 450 CB PRO A 21 -19.267 14.205 -15.809 1.00 0.00 C ATOM 451 CG PRO A 21 -20.415 13.411 -15.282 1.00 0.00 C ATOM 452 CD PRO A 21 -20.035 13.011 -13.886 1.00 0.00 C ATOM 0 HA PRO A 21 -17.371 13.066 -15.718 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -19.404 15.269 -15.615 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -19.172 14.088 -16.888 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -21.331 14.002 -15.283 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -20.600 12.534 -15.902 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -20.324 13.766 -13.155 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -20.513 12.078 -13.587 1.00 0.00 H new ATOM 460 N GLY A 22 -16.070 14.499 -13.895 1.00 0.00 N ATOM 461 CA GLY A 22 -15.177 15.528 -13.395 1.00 0.00 C ATOM 462 C GLY A 22 -14.526 15.151 -12.079 1.00 0.00 C ATOM 463 O GLY A 22 -14.381 15.989 -11.190 1.00 0.00 O ATOM 0 H GLY A 22 -15.798 13.544 -13.663 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.402 15.722 -14.136 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.735 16.456 -13.267 1.00 0.00 H new ATOM 467 N VAL A 23 -14.129 13.889 -11.955 1.00 0.00 N ATOM 468 CA VAL A 23 -13.487 13.410 -10.739 1.00 0.00 C ATOM 469 C VAL A 23 -12.349 12.449 -11.062 1.00 0.00 C ATOM 470 O VAL A 23 -12.557 11.412 -11.691 1.00 0.00 O ATOM 471 CB VAL A 23 -14.496 12.708 -9.810 1.00 0.00 C ATOM 472 CG1 VAL A 23 -13.835 12.317 -8.496 1.00 0.00 C ATOM 473 CG2 VAL A 23 -15.701 13.602 -9.562 1.00 0.00 C ATOM 0 H VAL A 23 -14.241 13.181 -12.681 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.084 14.284 -10.227 1.00 0.00 H new ATOM 0 HB VAL A 23 -14.840 11.797 -10.300 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -14.565 11.823 -7.855 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -13.006 11.637 -8.694 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -13.460 13.211 -7.997 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -16.404 13.091 -8.904 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -15.375 14.531 -9.094 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -16.189 13.826 -10.510 1.00 0.00 H new ATOM 483 N HIS A 24 -11.146 12.801 -10.624 1.00 0.00 N ATOM 484 CA HIS A 24 -9.969 11.973 -10.862 1.00 0.00 C ATOM 485 C HIS A 24 -9.301 11.591 -9.545 1.00 0.00 C ATOM 486 O HIS A 24 -9.003 12.451 -8.718 1.00 0.00 O ATOM 487 CB HIS A 24 -8.972 12.711 -11.758 1.00 0.00 C ATOM 488 CG HIS A 24 -9.481 12.959 -13.144 1.00 0.00 C ATOM 489 ND1 HIS A 24 -10.007 11.966 -13.942 1.00 0.00 N ATOM 490 CD2 HIS A 24 -9.544 14.099 -13.873 1.00 0.00 C ATOM 491 CE1 HIS A 24 -10.371 12.482 -15.103 1.00 0.00 C ATOM 492 NE2 HIS A 24 -10.102 13.775 -15.086 1.00 0.00 N ATOM 0 H HIS A 24 -10.959 13.656 -10.101 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.291 11.061 -11.365 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.719 13.666 -11.297 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -8.051 12.131 -11.817 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -9.217 15.079 -13.559 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -10.813 11.939 -15.925 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -10.280 14.427 -15.850 1.00 0.00 H new ATOM 501 N VAL A 25 -9.072 10.295 -9.357 1.00 0.00 N ATOM 502 CA VAL A 25 -8.442 9.801 -8.138 1.00 0.00 C ATOM 503 C VAL A 25 -7.154 9.047 -8.446 1.00 0.00 C ATOM 504 O VAL A 25 -7.183 7.868 -8.803 1.00 0.00 O ATOM 505 CB VAL A 25 -9.388 8.874 -7.352 1.00 0.00 C ATOM 506 CG1 VAL A 25 -8.810 8.557 -5.981 1.00 0.00 C ATOM 507 CG2 VAL A 25 -10.767 9.503 -7.222 1.00 0.00 C ATOM 0 H VAL A 25 -9.313 9.569 -10.032 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.210 10.675 -7.530 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.490 7.939 -7.904 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.493 7.901 -5.441 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.847 8.061 -6.098 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.676 9.482 -5.420 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.421 8.833 -6.664 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.685 10.453 -6.695 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.184 9.674 -8.214 1.00 0.00 H new ATOM 517 N SER A 26 -6.025 9.732 -8.304 1.00 0.00 N ATOM 518 CA SER A 26 -4.724 9.125 -8.563 1.00 0.00 C ATOM 519 C SER A 26 -3.632 9.798 -7.732 1.00 0.00 C ATOM 520 O SER A 26 -2.455 9.760 -8.092 1.00 0.00 O ATOM 521 CB SER A 26 -4.379 9.221 -10.051 1.00 0.00 C ATOM 522 OG SER A 26 -3.355 8.306 -10.398 1.00 0.00 O ATOM 0 H SER A 26 -5.984 10.708 -8.011 1.00 0.00 H new ATOM 0 HA SER A 26 -4.779 8.075 -8.276 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.269 9.019 -10.647 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.060 10.236 -10.289 1.00 0.00 H new ATOM 0 HG SER A 26 -2.594 8.422 -9.792 1.00 0.00 H new ATOM 528 N ASP A 27 -4.031 10.409 -6.621 1.00 0.00 N ATOM 529 CA ASP A 27 -3.086 11.085 -5.739 1.00 0.00 C ATOM 530 C ASP A 27 -3.410 10.795 -4.276 1.00 0.00 C ATOM 531 O ASP A 27 -4.570 10.602 -3.913 1.00 0.00 O ATOM 532 CB ASP A 27 -3.108 12.594 -5.991 1.00 0.00 C ATOM 533 CG ASP A 27 -3.026 12.934 -7.467 1.00 0.00 C ATOM 534 OD1 ASP A 27 -3.989 12.628 -8.201 1.00 0.00 O ATOM 535 OD2 ASP A 27 -1.998 13.505 -7.889 1.00 0.00 O ATOM 0 H ASP A 27 -5.002 10.450 -6.310 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.087 10.705 -5.955 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.022 13.016 -5.574 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.274 13.060 -5.467 1.00 0.00 H new ATOM 540 N LEU A 28 -2.378 10.753 -3.441 1.00 0.00 N ATOM 541 CA LEU A 28 -2.556 10.477 -2.021 1.00 0.00 C ATOM 542 C LEU A 28 -2.616 11.768 -1.209 1.00 0.00 C ATOM 543 O LEU A 28 -2.108 11.831 -0.090 1.00 0.00 O ATOM 544 CB LEU A 28 -1.418 9.593 -1.508 1.00 0.00 C ATOM 545 CG LEU A 28 -1.484 8.131 -1.951 1.00 0.00 C ATOM 546 CD1 LEU A 28 -2.688 7.438 -1.332 1.00 0.00 C ATOM 547 CD2 LEU A 28 -1.535 8.036 -3.468 1.00 0.00 C ATOM 0 H LEU A 28 -1.410 10.907 -3.723 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.504 9.953 -1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.471 10.016 -1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.415 9.627 -0.419 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.582 7.626 -1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.718 6.399 -1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.610 7.474 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.601 7.944 -1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.582 6.988 -3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.419 8.557 -3.836 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.641 8.494 -3.891 1.00 0.00 H new ATOM 559 N SER A 29 -3.239 12.797 -1.777 1.00 0.00 N ATOM 560 CA SER A 29 -3.361 14.080 -1.094 1.00 0.00 C ATOM 561 C SER A 29 -4.310 15.020 -1.838 1.00 0.00 C ATOM 562 O SER A 29 -5.471 15.171 -1.461 1.00 0.00 O ATOM 563 CB SER A 29 -1.984 14.733 -0.945 1.00 0.00 C ATOM 564 OG SER A 29 -2.101 16.120 -0.679 1.00 0.00 O ATOM 0 H SER A 29 -3.665 12.768 -2.703 1.00 0.00 H new ATOM 0 HA SER A 29 -3.779 13.894 -0.105 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.435 14.250 -0.137 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.406 14.582 -1.857 1.00 0.00 H new ATOM 0 HG SER A 29 -1.208 16.512 -0.587 1.00 0.00 H new ATOM 570 N SER A 30 -3.803 15.656 -2.892 1.00 0.00 N ATOM 571 CA SER A 30 -4.600 16.589 -3.683 1.00 0.00 C ATOM 572 C SER A 30 -5.892 15.942 -4.179 1.00 0.00 C ATOM 573 O SER A 30 -6.882 16.630 -4.434 1.00 0.00 O ATOM 574 CB SER A 30 -3.787 17.100 -4.874 1.00 0.00 C ATOM 575 OG SER A 30 -2.431 17.305 -4.516 1.00 0.00 O ATOM 0 H SER A 30 -2.843 15.542 -3.218 1.00 0.00 H new ATOM 0 HA SER A 30 -4.866 17.426 -3.038 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.846 16.383 -5.693 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.216 18.034 -5.237 1.00 0.00 H new ATOM 0 HG SER A 30 -1.933 17.630 -5.295 1.00 0.00 H new ATOM 581 N SER A 31 -5.878 14.622 -4.315 1.00 0.00 N ATOM 582 CA SER A 31 -7.052 13.891 -4.782 1.00 0.00 C ATOM 583 C SER A 31 -8.193 13.981 -3.771 1.00 0.00 C ATOM 584 O SER A 31 -9.365 13.898 -4.138 1.00 0.00 O ATOM 585 CB SER A 31 -6.696 12.426 -5.045 1.00 0.00 C ATOM 586 OG SER A 31 -6.909 12.086 -6.404 1.00 0.00 O ATOM 0 H SER A 31 -5.069 14.036 -4.109 1.00 0.00 H new ATOM 0 HA SER A 31 -7.385 14.348 -5.714 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.653 12.249 -4.782 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.300 11.781 -4.407 1.00 0.00 H new ATOM 0 HG SER A 31 -6.153 12.401 -6.942 1.00 0.00 H new ATOM 592 N TRP A 32 -7.843 14.146 -2.500 1.00 0.00 N ATOM 593 CA TRP A 32 -8.843 14.243 -1.440 1.00 0.00 C ATOM 594 C TRP A 32 -8.895 15.653 -0.855 1.00 0.00 C ATOM 595 O TRP A 32 -9.417 15.857 0.241 1.00 0.00 O ATOM 596 CB TRP A 32 -8.541 13.232 -0.331 1.00 0.00 C ATOM 597 CG TRP A 32 -8.136 11.883 -0.845 1.00 0.00 C ATOM 598 CD1 TRP A 32 -7.006 11.581 -1.547 1.00 0.00 C ATOM 599 CD2 TRP A 32 -8.859 10.658 -0.695 1.00 0.00 C ATOM 600 NE1 TRP A 32 -6.982 10.239 -1.844 1.00 0.00 N ATOM 601 CE2 TRP A 32 -8.108 9.650 -1.331 1.00 0.00 C ATOM 602 CE3 TRP A 32 -10.068 10.311 -0.085 1.00 0.00 C ATOM 603 CZ2 TRP A 32 -8.526 8.323 -1.374 1.00 0.00 C ATOM 604 CZ3 TRP A 32 -10.483 8.993 -0.128 1.00 0.00 C ATOM 605 CH2 TRP A 32 -9.714 8.013 -0.768 1.00 0.00 C ATOM 0 H TRP A 32 -6.878 14.215 -2.178 1.00 0.00 H new ATOM 0 HA TRP A 32 -9.816 14.018 -1.878 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.745 13.625 0.301 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.423 13.122 0.299 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.243 12.292 -1.828 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -6.246 9.760 -2.362 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -10.668 11.060 0.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -7.935 7.566 -1.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -11.416 8.714 0.340 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -10.065 6.992 -0.784 1.00 0.00 H new ATOM 616 N ALA A 33 -8.355 16.623 -1.588 1.00 0.00 N ATOM 617 CA ALA A 33 -8.343 18.008 -1.129 1.00 0.00 C ATOM 618 C ALA A 33 -9.759 18.513 -0.860 1.00 0.00 C ATOM 619 O ALA A 33 -10.066 18.965 0.243 1.00 0.00 O ATOM 620 CB ALA A 33 -7.646 18.896 -2.147 1.00 0.00 C ATOM 0 H ALA A 33 -7.921 16.476 -2.499 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.789 18.048 -0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -7.645 19.926 -1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.619 18.558 -2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.174 18.842 -3.099 1.00 0.00 H new ATOM 626 N ASP A 34 -10.618 18.432 -1.872 1.00 0.00 N ATOM 627 CA ASP A 34 -12.000 18.883 -1.736 1.00 0.00 C ATOM 628 C ASP A 34 -12.898 17.768 -1.193 1.00 0.00 C ATOM 629 O ASP A 34 -14.118 17.919 -1.140 1.00 0.00 O ATOM 630 CB ASP A 34 -12.536 19.380 -3.082 1.00 0.00 C ATOM 631 CG ASP A 34 -12.254 18.412 -4.213 1.00 0.00 C ATOM 632 OD1 ASP A 34 -12.235 17.189 -3.957 1.00 0.00 O ATOM 633 OD2 ASP A 34 -12.048 18.876 -5.354 1.00 0.00 O ATOM 0 H ASP A 34 -10.383 18.060 -2.792 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.012 19.707 -1.022 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.611 19.539 -3.004 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.087 20.346 -3.314 1.00 0.00 H new ATOM 638 N GLY A 35 -12.290 16.654 -0.787 1.00 0.00 N ATOM 639 CA GLY A 35 -13.059 15.543 -0.251 1.00 0.00 C ATOM 640 C GLY A 35 -13.936 14.877 -1.292 1.00 0.00 C ATOM 641 O GLY A 35 -14.991 14.332 -0.967 1.00 0.00 O ATOM 0 H GLY A 35 -11.282 16.502 -0.820 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.376 14.804 0.168 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.683 15.901 0.568 1.00 0.00 H new ATOM 645 N LEU A 36 -13.503 14.920 -2.547 1.00 0.00 N ATOM 646 CA LEU A 36 -14.261 14.315 -3.637 1.00 0.00 C ATOM 647 C LEU A 36 -14.133 12.794 -3.620 1.00 0.00 C ATOM 648 O LEU A 36 -15.098 12.078 -3.890 1.00 0.00 O ATOM 649 CB LEU A 36 -13.786 14.866 -4.984 1.00 0.00 C ATOM 650 CG LEU A 36 -14.633 16.009 -5.546 1.00 0.00 C ATOM 651 CD1 LEU A 36 -13.766 16.977 -6.339 1.00 0.00 C ATOM 652 CD2 LEU A 36 -15.758 15.463 -6.411 1.00 0.00 C ATOM 0 H LEU A 36 -12.632 15.367 -2.835 1.00 0.00 H new ATOM 0 HA LEU A 36 -15.311 14.570 -3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.758 15.213 -4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.773 14.052 -5.709 1.00 0.00 H new ATOM 0 HG LEU A 36 -15.076 16.553 -4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -14.386 17.783 -6.731 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.997 17.394 -5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.293 16.448 -7.166 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -16.350 16.290 -6.802 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -15.336 14.894 -7.240 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -16.395 14.812 -5.812 1.00 0.00 H new ATOM 664 N ALA A 37 -12.938 12.305 -3.306 1.00 0.00 N ATOM 665 CA ALA A 37 -12.688 10.869 -3.260 1.00 0.00 C ATOM 666 C ALA A 37 -13.561 10.188 -2.209 1.00 0.00 C ATOM 667 O ALA A 37 -14.185 9.160 -2.477 1.00 0.00 O ATOM 668 CB ALA A 37 -11.217 10.600 -2.982 1.00 0.00 C ATOM 0 H ALA A 37 -12.128 12.882 -3.080 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.947 10.450 -4.232 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.044 9.524 -2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.611 11.042 -3.772 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.941 11.041 -2.024 1.00 0.00 H new ATOM 674 N LEU A 38 -13.599 10.768 -1.013 1.00 0.00 N ATOM 675 CA LEU A 38 -14.396 10.215 0.075 1.00 0.00 C ATOM 676 C LEU A 38 -15.884 10.288 -0.252 1.00 0.00 C ATOM 677 O LEU A 38 -16.619 9.318 -0.066 1.00 0.00 O ATOM 678 CB LEU A 38 -14.107 10.965 1.378 1.00 0.00 C ATOM 679 CG LEU A 38 -13.833 10.074 2.592 1.00 0.00 C ATOM 680 CD1 LEU A 38 -12.350 9.757 2.697 1.00 0.00 C ATOM 681 CD2 LEU A 38 -14.330 10.741 3.865 1.00 0.00 C ATOM 0 H LEU A 38 -13.089 11.618 -0.774 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.122 9.168 0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -13.246 11.615 1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.956 11.610 1.604 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.375 9.137 2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.174 9.123 3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.024 9.237 1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -11.787 10.684 2.804 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.127 10.094 4.718 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.816 11.693 4.001 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -15.403 10.915 3.789 1.00 0.00 H new ATOM 693 N CYS A 39 -16.318 11.442 -0.744 1.00 0.00 N ATOM 694 CA CYS A 39 -17.717 11.642 -1.101 1.00 0.00 C ATOM 695 C CYS A 39 -18.100 10.771 -2.294 1.00 0.00 C ATOM 696 O CYS A 39 -19.227 10.284 -2.383 1.00 0.00 O ATOM 697 CB CYS A 39 -17.979 13.114 -1.421 1.00 0.00 C ATOM 698 SG CYS A 39 -19.578 13.722 -0.837 1.00 0.00 S ATOM 0 H CYS A 39 -15.721 12.253 -0.905 1.00 0.00 H new ATOM 0 HA CYS A 39 -18.331 11.351 -0.249 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -17.188 13.718 -0.976 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -17.920 13.256 -2.500 1.00 0.00 H new ATOM 0 HG CYS A 39 -19.414 14.376 0.274 1.00 0.00 H new ATOM 704 N ALA A 40 -17.153 10.577 -3.205 1.00 0.00 N ATOM 705 CA ALA A 40 -17.388 9.762 -4.391 1.00 0.00 C ATOM 706 C ALA A 40 -17.757 8.334 -4.005 1.00 0.00 C ATOM 707 O ALA A 40 -18.677 7.746 -4.572 1.00 0.00 O ATOM 708 CB ALA A 40 -16.158 9.769 -5.286 1.00 0.00 C ATOM 0 H ALA A 40 -16.215 10.973 -3.145 1.00 0.00 H new ATOM 0 HA ALA A 40 -18.225 10.191 -4.941 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.346 9.157 -6.168 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -15.938 10.791 -5.594 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -15.307 9.364 -4.738 1.00 0.00 H new ATOM 714 N LEU A 41 -17.034 7.781 -3.037 1.00 0.00 N ATOM 715 CA LEU A 41 -17.289 6.421 -2.578 1.00 0.00 C ATOM 716 C LEU A 41 -18.648 6.326 -1.887 1.00 0.00 C ATOM 717 O LEU A 41 -19.471 5.476 -2.229 1.00 0.00 O ATOM 718 CB LEU A 41 -16.183 5.965 -1.622 1.00 0.00 C ATOM 719 CG LEU A 41 -15.066 5.146 -2.269 1.00 0.00 C ATOM 720 CD1 LEU A 41 -14.020 6.063 -2.885 1.00 0.00 C ATOM 721 CD2 LEU A 41 -14.428 4.217 -1.247 1.00 0.00 C ATOM 0 H LEU A 41 -16.268 8.253 -2.556 1.00 0.00 H new ATOM 0 HA LEU A 41 -17.298 5.766 -3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -15.743 6.845 -1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.633 5.372 -0.826 1.00 0.00 H new ATOM 0 HG LEU A 41 -15.499 4.538 -3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.233 5.462 -3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.487 6.688 -3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.590 6.697 -2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.635 3.641 -1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.009 4.806 -0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -15.183 3.537 -0.852 1.00 0.00 H new ATOM 733 N VAL A 42 -18.875 7.204 -0.914 1.00 0.00 N ATOM 734 CA VAL A 42 -20.134 7.218 -0.176 1.00 0.00 C ATOM 735 C VAL A 42 -21.318 7.435 -1.112 1.00 0.00 C ATOM 736 O VAL A 42 -22.316 6.718 -1.044 1.00 0.00 O ATOM 737 CB VAL A 42 -20.141 8.314 0.908 1.00 0.00 C ATOM 738 CG1 VAL A 42 -21.324 8.127 1.845 1.00 0.00 C ATOM 739 CG2 VAL A 42 -18.830 8.315 1.682 1.00 0.00 C ATOM 0 H VAL A 42 -18.205 7.914 -0.619 1.00 0.00 H new ATOM 0 HA VAL A 42 -20.228 6.244 0.305 1.00 0.00 H new ATOM 0 HB VAL A 42 -20.243 9.282 0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -21.314 8.909 2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -22.252 8.186 1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -21.255 7.152 2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -18.857 9.096 2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.690 7.346 2.162 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -18.003 8.503 0.997 1.00 0.00 H new ATOM 749 N TYR A 43 -21.200 8.429 -1.987 1.00 0.00 N ATOM 750 CA TYR A 43 -22.260 8.744 -2.940 1.00 0.00 C ATOM 751 C TYR A 43 -22.627 7.517 -3.770 1.00 0.00 C ATOM 752 O TYR A 43 -23.796 7.290 -4.080 1.00 0.00 O ATOM 753 CB TYR A 43 -21.823 9.884 -3.860 1.00 0.00 C ATOM 754 CG TYR A 43 -22.900 10.340 -4.820 1.00 0.00 C ATOM 755 CD1 TYR A 43 -23.840 11.291 -4.439 1.00 0.00 C ATOM 756 CD2 TYR A 43 -22.978 9.824 -6.107 1.00 0.00 C ATOM 757 CE1 TYR A 43 -24.824 11.711 -5.311 1.00 0.00 C ATOM 758 CE2 TYR A 43 -23.960 10.239 -6.986 1.00 0.00 C ATOM 759 CZ TYR A 43 -24.880 11.183 -6.582 1.00 0.00 C ATOM 760 OH TYR A 43 -25.860 11.601 -7.455 1.00 0.00 O ATOM 0 H TYR A 43 -20.380 9.031 -2.056 1.00 0.00 H new ATOM 0 HA TYR A 43 -23.140 9.057 -2.378 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -21.510 10.731 -3.250 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -20.952 9.564 -4.431 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -23.800 11.708 -3.444 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -22.258 9.085 -6.427 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -25.547 12.450 -4.998 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -24.007 9.827 -7.983 1.00 0.00 H new ATOM 0 HH TYR A 43 -25.758 11.132 -8.310 1.00 0.00 H new ATOM 770 N ARG A 44 -21.618 6.728 -4.126 1.00 0.00 N ATOM 771 CA ARG A 44 -21.835 5.523 -4.919 1.00 0.00 C ATOM 772 C ARG A 44 -22.699 4.523 -4.158 1.00 0.00 C ATOM 773 O ARG A 44 -23.609 3.917 -4.725 1.00 0.00 O ATOM 774 CB ARG A 44 -20.494 4.881 -5.283 1.00 0.00 C ATOM 775 CG ARG A 44 -20.493 4.213 -6.649 1.00 0.00 C ATOM 776 CD ARG A 44 -20.438 2.698 -6.530 1.00 0.00 C ATOM 777 NE ARG A 44 -19.621 2.095 -7.579 1.00 0.00 N ATOM 778 CZ ARG A 44 -19.629 0.796 -7.872 1.00 0.00 C ATOM 779 NH1 ARG A 44 -20.411 -0.037 -7.197 1.00 0.00 N ATOM 780 NH2 ARG A 44 -18.856 0.331 -8.842 1.00 0.00 N ATOM 0 H ARG A 44 -20.644 6.901 -3.878 1.00 0.00 H new ATOM 0 HA ARG A 44 -22.356 5.806 -5.834 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -19.716 5.644 -5.260 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -20.237 4.141 -4.525 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -21.389 4.503 -7.198 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -19.638 4.565 -7.226 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -20.034 2.426 -5.555 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -21.449 2.294 -6.581 1.00 0.00 H new ATOM 0 HE ARG A 44 -19.008 2.705 -8.120 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -21.009 0.317 -6.450 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -20.414 -1.031 -7.425 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -18.255 0.968 -9.365 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -18.862 -0.664 -9.066 1.00 0.00 H new ATOM 794 N LEU A 45 -22.413 4.358 -2.871 1.00 0.00 N ATOM 795 CA LEU A 45 -23.168 3.435 -2.033 1.00 0.00 C ATOM 796 C LEU A 45 -24.512 4.039 -1.636 1.00 0.00 C ATOM 797 O LEU A 45 -25.508 3.328 -1.493 1.00 0.00 O ATOM 798 CB LEU A 45 -22.366 3.075 -0.781 1.00 0.00 C ATOM 799 CG LEU A 45 -21.367 1.933 -0.957 1.00 0.00 C ATOM 800 CD1 LEU A 45 -22.096 0.616 -1.173 1.00 0.00 C ATOM 801 CD2 LEU A 45 -20.429 2.221 -2.119 1.00 0.00 C ATOM 0 H LEU A 45 -21.664 4.852 -2.386 1.00 0.00 H new ATOM 0 HA LEU A 45 -23.353 2.528 -2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -21.826 3.961 -0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -23.063 2.808 0.014 1.00 0.00 H new ATOM 0 HG LEU A 45 -20.773 1.851 -0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -21.369 -0.186 -1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.727 0.404 -0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -22.715 0.685 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -19.724 1.397 -2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -21.008 2.329 -3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -19.882 3.143 -1.925 1.00 0.00 H new ATOM 813 N GLN A 46 -24.530 5.357 -1.462 1.00 0.00 N ATOM 814 CA GLN A 46 -25.748 6.065 -1.084 1.00 0.00 C ATOM 815 C GLN A 46 -25.724 7.494 -1.620 1.00 0.00 C ATOM 816 O GLN A 46 -25.393 8.432 -0.897 1.00 0.00 O ATOM 817 CB GLN A 46 -25.906 6.077 0.438 1.00 0.00 C ATOM 818 CG GLN A 46 -26.856 5.012 0.959 1.00 0.00 C ATOM 819 CD GLN A 46 -28.270 5.531 1.137 1.00 0.00 C ATOM 820 OE1 GLN A 46 -28.796 5.565 2.250 1.00 0.00 O ATOM 821 NE2 GLN A 46 -28.894 5.938 0.038 1.00 0.00 N ATOM 0 H GLN A 46 -23.713 5.957 -1.577 1.00 0.00 H new ATOM 0 HA GLN A 46 -26.599 5.543 -1.522 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -24.928 5.936 0.898 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -26.266 7.057 0.750 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -26.866 4.169 0.268 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -26.487 4.637 1.914 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -28.420 5.892 -0.864 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -29.847 6.297 0.096 1.00 0.00 H new ATOM 830 N PRO A 47 -26.076 7.677 -2.906 1.00 0.00 N ATOM 831 CA PRO A 47 -26.088 8.999 -3.538 1.00 0.00 C ATOM 832 C PRO A 47 -27.208 9.886 -3.012 1.00 0.00 C ATOM 833 O PRO A 47 -27.035 11.095 -2.856 1.00 0.00 O ATOM 834 CB PRO A 47 -26.305 8.683 -5.019 1.00 0.00 C ATOM 835 CG PRO A 47 -27.007 7.370 -5.028 1.00 0.00 C ATOM 836 CD PRO A 47 -26.480 6.611 -3.841 1.00 0.00 C ATOM 0 HA PRO A 47 -25.172 9.554 -3.336 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -26.902 9.454 -5.505 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -25.357 8.629 -5.555 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -28.086 7.504 -4.958 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -26.813 6.830 -5.954 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -27.242 5.964 -3.407 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -25.638 5.974 -4.113 1.00 0.00 H new ATOM 844 N GLY A 48 -28.354 9.280 -2.741 1.00 0.00 N ATOM 845 CA GLY A 48 -29.488 10.029 -2.235 1.00 0.00 C ATOM 846 C GLY A 48 -29.217 10.633 -0.870 1.00 0.00 C ATOM 847 O GLY A 48 -29.779 11.672 -0.521 1.00 0.00 O ATOM 0 H GLY A 48 -28.520 8.281 -2.862 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -29.739 10.823 -2.938 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -30.356 9.372 -2.173 1.00 0.00 H new ATOM 851 N LEU A 49 -28.362 9.976 -0.094 1.00 0.00 N ATOM 852 CA LEU A 49 -28.024 10.450 1.244 1.00 0.00 C ATOM 853 C LEU A 49 -26.750 11.293 1.234 1.00 0.00 C ATOM 854 O LEU A 49 -26.070 11.412 2.253 1.00 0.00 O ATOM 855 CB LEU A 49 -27.850 9.262 2.193 1.00 0.00 C ATOM 856 CG LEU A 49 -29.151 8.670 2.740 1.00 0.00 C ATOM 857 CD1 LEU A 49 -29.734 9.568 3.820 1.00 0.00 C ATOM 858 CD2 LEU A 49 -30.158 8.456 1.620 1.00 0.00 C ATOM 0 H LEU A 49 -27.890 9.114 -0.368 1.00 0.00 H new ATOM 0 HA LEU A 49 -28.844 11.079 1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -27.304 8.477 1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -27.231 9.576 3.033 1.00 0.00 H new ATOM 0 HG LEU A 49 -28.925 7.701 3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -30.659 9.131 4.197 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -29.019 9.665 4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -29.943 10.552 3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -31.075 8.035 2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -30.379 9.410 1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -29.742 7.769 0.883 1.00 0.00 H new ATOM 870 N LEU A 50 -26.429 11.878 0.084 1.00 0.00 N ATOM 871 CA LEU A 50 -25.234 12.708 -0.036 1.00 0.00 C ATOM 872 C LEU A 50 -25.387 13.742 -1.148 1.00 0.00 C ATOM 873 O LEU A 50 -26.391 13.763 -1.859 1.00 0.00 O ATOM 874 CB LEU A 50 -24.006 11.836 -0.302 1.00 0.00 C ATOM 875 CG LEU A 50 -23.368 11.221 0.948 1.00 0.00 C ATOM 876 CD1 LEU A 50 -23.777 9.763 1.094 1.00 0.00 C ATOM 877 CD2 LEU A 50 -21.853 11.347 0.892 1.00 0.00 C ATOM 0 H LEU A 50 -26.975 11.794 -0.773 1.00 0.00 H new ATOM 0 HA LEU A 50 -25.101 13.238 0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -24.290 11.031 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -23.256 12.437 -0.816 1.00 0.00 H new ATOM 0 HG LEU A 50 -23.726 11.768 1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -23.314 9.343 1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -24.861 9.696 1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -23.449 9.204 0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -21.418 10.905 1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -21.477 10.827 0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -21.577 12.400 0.837 1.00 0.00 H new ATOM 889 N GLU A 51 -24.378 14.598 -1.289 1.00 0.00 N ATOM 890 CA GLU A 51 -24.387 15.638 -2.312 1.00 0.00 C ATOM 891 C GLU A 51 -22.963 16.089 -2.633 1.00 0.00 C ATOM 892 O GLU A 51 -22.610 17.252 -2.434 1.00 0.00 O ATOM 893 CB GLU A 51 -25.225 16.831 -1.849 1.00 0.00 C ATOM 894 CG GLU A 51 -26.709 16.686 -2.142 1.00 0.00 C ATOM 895 CD GLU A 51 -26.990 16.430 -3.611 1.00 0.00 C ATOM 896 OE1 GLU A 51 -26.471 17.188 -4.456 1.00 0.00 O ATOM 897 OE2 GLU A 51 -27.729 15.469 -3.914 1.00 0.00 O ATOM 0 H GLU A 51 -23.542 14.591 -0.705 1.00 0.00 H new ATOM 0 HA GLU A 51 -24.832 15.225 -3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -25.087 16.966 -0.776 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -24.854 17.734 -2.334 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -27.114 15.866 -1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -27.228 17.592 -1.829 1.00 0.00 H new ATOM 904 N PRO A 52 -22.124 15.167 -3.134 1.00 0.00 N ATOM 905 CA PRO A 52 -20.731 15.464 -3.482 1.00 0.00 C ATOM 906 C PRO A 52 -20.609 16.655 -4.426 1.00 0.00 C ATOM 907 O PRO A 52 -19.653 17.426 -4.345 1.00 0.00 O ATOM 908 CB PRO A 52 -20.239 14.181 -4.173 1.00 0.00 C ATOM 909 CG PRO A 52 -21.468 13.386 -4.462 1.00 0.00 C ATOM 910 CD PRO A 52 -22.461 13.764 -3.403 1.00 0.00 C ATOM 0 HA PRO A 52 -20.148 15.735 -2.602 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -19.697 14.413 -5.090 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.555 13.627 -3.530 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -21.853 13.610 -5.457 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -21.257 12.317 -4.436 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -23.488 13.654 -3.752 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -22.359 13.145 -2.512 1.00 0.00 H new ATOM 918 N SER A 53 -21.581 16.800 -5.318 1.00 0.00 N ATOM 919 CA SER A 53 -21.579 17.900 -6.277 1.00 0.00 C ATOM 920 C SER A 53 -21.488 19.244 -5.566 1.00 0.00 C ATOM 921 O SER A 53 -20.719 20.120 -5.964 1.00 0.00 O ATOM 922 CB SER A 53 -22.841 17.851 -7.141 1.00 0.00 C ATOM 923 OG SER A 53 -23.985 18.224 -6.392 1.00 0.00 O ATOM 0 H SER A 53 -22.380 16.171 -5.398 1.00 0.00 H new ATOM 0 HA SER A 53 -20.703 17.790 -6.916 1.00 0.00 H new ATOM 0 HB2 SER A 53 -22.727 18.519 -7.995 1.00 0.00 H new ATOM 0 HB3 SER A 53 -22.975 16.845 -7.539 1.00 0.00 H new ATOM 0 HG SER A 53 -24.778 18.186 -6.966 1.00 0.00 H new ATOM 929 N GLU A 54 -22.277 19.400 -4.511 1.00 0.00 N ATOM 930 CA GLU A 54 -22.289 20.637 -3.741 1.00 0.00 C ATOM 931 C GLU A 54 -21.009 20.791 -2.922 1.00 0.00 C ATOM 932 O GLU A 54 -20.356 21.833 -2.963 1.00 0.00 O ATOM 933 CB GLU A 54 -23.507 20.672 -2.814 1.00 0.00 C ATOM 934 CG GLU A 54 -24.779 21.145 -3.500 1.00 0.00 C ATOM 935 CD GLU A 54 -25.707 21.886 -2.561 1.00 0.00 C ATOM 936 OE1 GLU A 54 -26.083 21.310 -1.518 1.00 0.00 O ATOM 937 OE2 GLU A 54 -26.060 23.045 -2.866 1.00 0.00 O ATOM 0 H GLU A 54 -22.918 18.684 -4.168 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.347 21.468 -4.444 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -23.673 19.674 -2.407 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -23.293 21.329 -1.971 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -24.517 21.796 -4.334 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -25.303 20.286 -3.919 1.00 0.00 H new ATOM 944 N LEU A 55 -20.656 19.746 -2.180 1.00 0.00 N ATOM 945 CA LEU A 55 -19.456 19.761 -1.346 1.00 0.00 C ATOM 946 C LEU A 55 -18.186 19.794 -2.193 1.00 0.00 C ATOM 947 O LEU A 55 -17.099 20.065 -1.683 1.00 0.00 O ATOM 948 CB LEU A 55 -19.434 18.535 -0.436 1.00 0.00 C ATOM 949 CG LEU A 55 -20.735 18.263 0.323 1.00 0.00 C ATOM 950 CD1 LEU A 55 -20.980 16.768 0.443 1.00 0.00 C ATOM 951 CD2 LEU A 55 -20.693 18.911 1.698 1.00 0.00 C ATOM 0 H LEU A 55 -21.185 18.875 -2.138 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.485 20.667 -0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -19.194 17.659 -1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.628 18.654 0.288 1.00 0.00 H new ATOM 0 HG LEU A 55 -21.560 18.701 -0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -21.909 16.594 0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -21.054 16.330 -0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.153 16.306 0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -21.626 18.708 2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -19.858 18.502 2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -20.565 19.988 1.589 1.00 0.00 H new ATOM 963 N GLN A 56 -18.327 19.507 -3.480 1.00 0.00 N ATOM 964 CA GLN A 56 -17.187 19.493 -4.389 1.00 0.00 C ATOM 965 C GLN A 56 -16.514 20.857 -4.460 1.00 0.00 C ATOM 966 O GLN A 56 -15.288 20.952 -4.507 1.00 0.00 O ATOM 967 CB GLN A 56 -17.636 19.056 -5.786 1.00 0.00 C ATOM 968 CG GLN A 56 -16.517 19.043 -6.815 1.00 0.00 C ATOM 969 CD GLN A 56 -17.036 18.977 -8.238 1.00 0.00 C ATOM 970 OE1 GLN A 56 -16.902 17.956 -8.913 1.00 0.00 O ATOM 971 NE2 GLN A 56 -17.634 20.067 -8.701 1.00 0.00 N ATOM 0 H GLN A 56 -19.219 19.281 -3.919 1.00 0.00 H new ATOM 0 HA GLN A 56 -16.459 18.780 -4.003 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -18.070 18.058 -5.722 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -18.425 19.725 -6.130 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -15.908 19.939 -6.695 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -15.867 18.188 -6.629 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -17.723 20.891 -8.107 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -18.005 20.081 -9.651 1.00 0.00 H new ATOM 980 N GLY A 57 -17.319 21.912 -4.468 1.00 0.00 N ATOM 981 CA GLY A 57 -16.772 23.254 -4.535 1.00 0.00 C ATOM 982 C GLY A 57 -17.089 24.080 -3.303 1.00 0.00 C ATOM 983 O GLY A 57 -16.446 25.099 -3.052 1.00 0.00 O ATOM 0 H GLY A 57 -18.337 21.863 -4.429 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.691 23.195 -4.659 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -17.167 23.759 -5.417 1.00 0.00 H new ATOM 987 N LEU A 58 -18.081 23.643 -2.529 1.00 0.00 N ATOM 988 CA LEU A 58 -18.472 24.353 -1.318 1.00 0.00 C ATOM 989 C LEU A 58 -17.274 24.563 -0.400 1.00 0.00 C ATOM 990 O LEU A 58 -17.207 25.545 0.339 1.00 0.00 O ATOM 991 CB LEU A 58 -19.569 23.585 -0.580 1.00 0.00 C ATOM 992 CG LEU A 58 -20.939 24.262 -0.586 1.00 0.00 C ATOM 993 CD1 LEU A 58 -21.714 23.891 -1.840 1.00 0.00 C ATOM 994 CD2 LEU A 58 -21.724 23.889 0.660 1.00 0.00 C ATOM 0 H LEU A 58 -18.626 22.802 -2.720 1.00 0.00 H new ATOM 0 HA LEU A 58 -18.858 25.330 -1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -19.666 22.596 -1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -19.257 23.437 0.454 1.00 0.00 H new ATOM 0 HG LEU A 58 -20.788 25.342 -0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -22.687 24.383 -1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -21.158 24.213 -2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -21.854 22.811 -1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.697 24.381 0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -21.864 22.809 0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -21.175 24.210 1.545 1.00 0.00 H new ATOM 1006 N GLY A 59 -16.328 23.632 -0.453 1.00 0.00 N ATOM 1007 CA GLY A 59 -15.144 23.736 0.381 1.00 0.00 C ATOM 1008 C GLY A 59 -14.527 22.387 0.685 1.00 0.00 C ATOM 1009 O GLY A 59 -15.206 21.361 0.638 1.00 0.00 O ATOM 0 H GLY A 59 -16.359 22.810 -1.056 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.407 24.365 -0.118 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -15.405 24.231 1.316 1.00 0.00 H new ATOM 1013 N ALA A 60 -13.237 22.388 1.001 1.00 0.00 N ATOM 1014 CA ALA A 60 -12.529 21.155 1.317 1.00 0.00 C ATOM 1015 C ALA A 60 -12.870 20.673 2.723 1.00 0.00 C ATOM 1016 O ALA A 60 -13.317 19.541 2.910 1.00 0.00 O ATOM 1017 CB ALA A 60 -11.027 21.357 1.176 1.00 0.00 C ATOM 0 H ALA A 60 -12.661 23.229 1.045 1.00 0.00 H new ATOM 0 HA ALA A 60 -12.849 20.389 0.610 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.511 20.427 1.415 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.794 21.648 0.152 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.699 22.140 1.860 1.00 0.00 H new ATOM 1023 N LEU A 61 -12.659 21.541 3.706 1.00 0.00 N ATOM 1024 CA LEU A 61 -12.946 21.206 5.096 1.00 0.00 C ATOM 1025 C LEU A 61 -14.418 20.846 5.275 1.00 0.00 C ATOM 1026 O LEU A 61 -14.758 19.951 6.050 1.00 0.00 O ATOM 1027 CB LEU A 61 -12.579 22.377 6.012 1.00 0.00 C ATOM 1028 CG LEU A 61 -11.147 22.354 6.550 1.00 0.00 C ATOM 1029 CD1 LEU A 61 -10.250 23.259 5.720 1.00 0.00 C ATOM 1030 CD2 LEU A 61 -11.119 22.769 8.013 1.00 0.00 C ATOM 0 H LEU A 61 -12.290 22.482 3.566 1.00 0.00 H new ATOM 0 HA LEU A 61 -12.343 20.340 5.367 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -12.731 23.308 5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -13.268 22.388 6.856 1.00 0.00 H new ATOM 0 HG LEU A 61 -10.769 21.335 6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.236 23.230 6.118 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.244 22.916 4.685 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.626 24.281 5.761 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -10.092 22.747 8.378 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -11.517 23.779 8.112 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -11.727 22.080 8.598 1.00 0.00 H new ATOM 1042 N GLU A 62 -15.286 21.550 4.556 1.00 0.00 N ATOM 1043 CA GLU A 62 -16.720 21.305 4.638 1.00 0.00 C ATOM 1044 C GLU A 62 -17.084 19.967 4.003 1.00 0.00 C ATOM 1045 O GLU A 62 -17.859 19.192 4.566 1.00 0.00 O ATOM 1046 CB GLU A 62 -17.492 22.436 3.955 1.00 0.00 C ATOM 1047 CG GLU A 62 -17.896 23.555 4.900 1.00 0.00 C ATOM 1048 CD GLU A 62 -18.571 24.709 4.185 1.00 0.00 C ATOM 1049 OE1 GLU A 62 -19.788 24.612 3.921 1.00 0.00 O ATOM 1050 OE2 GLU A 62 -17.884 25.708 3.888 1.00 0.00 O ATOM 0 H GLU A 62 -15.021 22.294 3.911 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.996 21.271 5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.879 22.851 3.155 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -18.387 22.024 3.490 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.571 23.158 5.659 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.012 23.923 5.420 1.00 0.00 H new ATOM 1057 N ALA A 63 -16.526 19.700 2.827 1.00 0.00 N ATOM 1058 CA ALA A 63 -16.797 18.456 2.119 1.00 0.00 C ATOM 1059 C ALA A 63 -16.295 17.251 2.909 1.00 0.00 C ATOM 1060 O ALA A 63 -16.986 16.239 3.022 1.00 0.00 O ATOM 1061 CB ALA A 63 -16.155 18.484 0.740 1.00 0.00 C ATOM 0 H ALA A 63 -15.884 20.329 2.345 1.00 0.00 H new ATOM 0 HA ALA A 63 -17.877 18.361 2.007 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -16.365 17.548 0.222 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -16.562 19.316 0.166 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.077 18.607 0.843 1.00 0.00 H new ATOM 1067 N THR A 64 -15.086 17.368 3.452 1.00 0.00 N ATOM 1068 CA THR A 64 -14.490 16.288 4.230 1.00 0.00 C ATOM 1069 C THR A 64 -15.248 16.068 5.539 1.00 0.00 C ATOM 1070 O THR A 64 -15.572 14.936 5.896 1.00 0.00 O ATOM 1071 CB THR A 64 -13.018 16.588 4.521 1.00 0.00 C ATOM 1072 OG1 THR A 64 -12.398 15.486 5.157 1.00 0.00 O ATOM 1073 CG2 THR A 64 -12.814 17.801 5.401 1.00 0.00 C ATOM 0 H THR A 64 -14.501 18.199 3.367 1.00 0.00 H new ATOM 0 HA THR A 64 -14.556 15.375 3.639 1.00 0.00 H new ATOM 0 HB THR A 64 -12.568 16.788 3.548 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.622 15.491 6.111 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.748 17.955 5.567 1.00 0.00 H new ATOM 0 HG22 THR A 64 -13.236 18.680 4.913 1.00 0.00 H new ATOM 0 HG23 THR A 64 -13.311 17.644 6.358 1.00 0.00 H new ATOM 1081 N ALA A 65 -15.521 17.158 6.250 1.00 0.00 N ATOM 1082 CA ALA A 65 -16.233 17.078 7.520 1.00 0.00 C ATOM 1083 C ALA A 65 -17.670 16.607 7.322 1.00 0.00 C ATOM 1084 O ALA A 65 -18.166 15.767 8.071 1.00 0.00 O ATOM 1085 CB ALA A 65 -16.213 18.430 8.220 1.00 0.00 C ATOM 0 H ALA A 65 -15.261 18.103 5.969 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.723 16.345 8.145 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -16.748 18.357 9.167 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -15.181 18.727 8.408 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.696 19.175 7.587 1.00 0.00 H new ATOM 1091 N TRP A 66 -18.333 17.150 6.307 1.00 0.00 N ATOM 1092 CA TRP A 66 -19.711 16.778 6.012 1.00 0.00 C ATOM 1093 C TRP A 66 -19.793 15.329 5.544 1.00 0.00 C ATOM 1094 O TRP A 66 -20.697 14.590 5.936 1.00 0.00 O ATOM 1095 CB TRP A 66 -20.299 17.704 4.947 1.00 0.00 C ATOM 1096 CG TRP A 66 -21.797 17.720 4.936 1.00 0.00 C ATOM 1097 CD1 TRP A 66 -22.614 18.557 5.641 1.00 0.00 C ATOM 1098 CD2 TRP A 66 -22.658 16.857 4.184 1.00 0.00 C ATOM 1099 NE1 TRP A 66 -23.930 18.267 5.374 1.00 0.00 N ATOM 1100 CE2 TRP A 66 -23.984 17.228 4.482 1.00 0.00 C ATOM 1101 CE3 TRP A 66 -22.438 15.808 3.288 1.00 0.00 C ATOM 1102 CZ2 TRP A 66 -25.082 16.586 3.915 1.00 0.00 C ATOM 1103 CZ3 TRP A 66 -23.529 15.171 2.727 1.00 0.00 C ATOM 1104 CH2 TRP A 66 -24.836 15.563 3.042 1.00 0.00 C ATOM 0 H TRP A 66 -17.939 17.848 5.676 1.00 0.00 H new ATOM 0 HA TRP A 66 -20.291 16.880 6.929 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -19.933 18.717 5.114 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -19.939 17.393 3.966 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -22.275 19.334 6.311 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -24.736 18.747 5.775 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -21.433 15.500 3.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -26.091 16.885 4.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -23.371 14.358 2.034 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -25.667 15.046 2.586 1.00 0.00 H new ATOM 1115 N ALA A 67 -18.844 14.930 4.704 1.00 0.00 N ATOM 1116 CA ALA A 67 -18.807 13.570 4.182 1.00 0.00 C ATOM 1117 C ALA A 67 -18.425 12.575 5.272 1.00 0.00 C ATOM 1118 O ALA A 67 -18.950 11.462 5.320 1.00 0.00 O ATOM 1119 CB ALA A 67 -17.835 13.479 3.016 1.00 0.00 C ATOM 0 H ALA A 67 -18.090 15.530 4.370 1.00 0.00 H new ATOM 0 HA ALA A 67 -19.806 13.315 3.828 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -17.817 12.458 2.636 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.153 14.156 2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -16.836 13.758 3.352 1.00 0.00 H new ATOM 1125 N LEU A 68 -17.507 12.979 6.142 1.00 0.00 N ATOM 1126 CA LEU A 68 -17.052 12.119 7.229 1.00 0.00 C ATOM 1127 C LEU A 68 -18.179 11.847 8.221 1.00 0.00 C ATOM 1128 O LEU A 68 -18.333 10.726 8.706 1.00 0.00 O ATOM 1129 CB LEU A 68 -15.865 12.760 7.951 1.00 0.00 C ATOM 1130 CG LEU A 68 -14.489 12.365 7.411 1.00 0.00 C ATOM 1131 CD1 LEU A 68 -13.390 13.098 8.165 1.00 0.00 C ATOM 1132 CD2 LEU A 68 -14.292 10.860 7.507 1.00 0.00 C ATOM 0 H LEU A 68 -17.063 13.897 6.116 1.00 0.00 H new ATOM 0 HA LEU A 68 -16.738 11.169 6.798 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -15.965 13.844 7.891 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -15.914 12.494 9.007 1.00 0.00 H new ATOM 0 HG LEU A 68 -14.435 12.652 6.361 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.418 12.805 7.768 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -13.522 14.173 8.045 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -13.442 12.842 9.223 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.308 10.596 7.119 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -14.366 10.549 8.549 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -15.060 10.354 6.922 1.00 0.00 H new ATOM 1144 N LYS A 69 -18.962 12.878 8.521 1.00 0.00 N ATOM 1145 CA LYS A 69 -20.072 12.746 9.459 1.00 0.00 C ATOM 1146 C LYS A 69 -21.200 11.911 8.861 1.00 0.00 C ATOM 1147 O LYS A 69 -21.710 10.991 9.502 1.00 0.00 O ATOM 1148 CB LYS A 69 -20.600 14.126 9.855 1.00 0.00 C ATOM 1149 CG LYS A 69 -19.653 14.905 10.754 1.00 0.00 C ATOM 1150 CD LYS A 69 -20.357 16.076 11.422 1.00 0.00 C ATOM 1151 CE LYS A 69 -19.461 17.303 11.489 1.00 0.00 C ATOM 1152 NZ LYS A 69 -20.004 18.430 10.681 1.00 0.00 N ATOM 0 H LYS A 69 -18.849 13.813 8.129 1.00 0.00 H new ATOM 0 HA LYS A 69 -19.701 12.236 10.348 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -20.790 14.706 8.952 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -21.556 14.007 10.365 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -19.245 14.241 11.516 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -18.811 15.272 10.167 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -21.266 16.318 10.870 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -20.662 15.792 12.429 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -19.354 17.619 12.527 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -18.465 17.045 11.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -19.365 19.248 10.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -20.082 18.138 9.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -20.944 18.693 11.040 1.00 0.00 H new ATOM 1166 N VAL A 70 -21.585 12.236 7.632 1.00 0.00 N ATOM 1167 CA VAL A 70 -22.653 11.513 6.951 1.00 0.00 C ATOM 1168 C VAL A 70 -22.225 10.091 6.616 1.00 0.00 C ATOM 1169 O VAL A 70 -22.994 9.146 6.788 1.00 0.00 O ATOM 1170 CB VAL A 70 -23.089 12.230 5.659 1.00 0.00 C ATOM 1171 CG1 VAL A 70 -23.674 13.598 5.978 1.00 0.00 C ATOM 1172 CG2 VAL A 70 -21.919 12.355 4.695 1.00 0.00 C ATOM 0 H VAL A 70 -21.174 12.994 7.087 1.00 0.00 H new ATOM 0 HA VAL A 70 -23.500 11.482 7.637 1.00 0.00 H new ATOM 0 HB VAL A 70 -23.863 11.632 5.178 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -23.976 14.089 5.053 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -24.542 13.480 6.627 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -22.923 14.206 6.483 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -22.247 12.864 3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -21.120 12.929 5.165 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.550 11.362 4.440 1.00 0.00 H new ATOM 1182 N ALA A 71 -20.990 9.941 6.143 1.00 0.00 N ATOM 1183 CA ALA A 71 -20.466 8.626 5.794 1.00 0.00 C ATOM 1184 C ALA A 71 -20.572 7.683 6.986 1.00 0.00 C ATOM 1185 O ALA A 71 -20.982 6.530 6.850 1.00 0.00 O ATOM 1186 CB ALA A 71 -19.021 8.735 5.330 1.00 0.00 C ATOM 0 H ALA A 71 -20.337 10.711 5.994 1.00 0.00 H new ATOM 0 HA ALA A 71 -21.061 8.221 4.975 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -18.646 7.744 5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.968 9.381 4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.413 9.158 6.130 1.00 0.00 H new ATOM 1192 N GLU A 72 -20.210 8.193 8.157 1.00 0.00 N ATOM 1193 CA GLU A 72 -20.273 7.417 9.385 1.00 0.00 C ATOM 1194 C GLU A 72 -21.724 7.171 9.785 1.00 0.00 C ATOM 1195 O GLU A 72 -22.068 6.106 10.290 1.00 0.00 O ATOM 1196 CB GLU A 72 -19.533 8.143 10.513 1.00 0.00 C ATOM 1197 CG GLU A 72 -19.626 7.442 11.860 1.00 0.00 C ATOM 1198 CD GLU A 72 -19.207 8.335 13.011 1.00 0.00 C ATOM 1199 OE1 GLU A 72 -18.123 8.947 12.923 1.00 0.00 O ATOM 1200 OE2 GLU A 72 -19.964 8.422 14.001 1.00 0.00 O ATOM 0 H GLU A 72 -19.868 9.146 8.280 1.00 0.00 H new ATOM 0 HA GLU A 72 -19.790 6.456 9.210 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -18.483 8.245 10.239 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -19.937 9.151 10.610 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -20.650 7.105 12.020 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -18.996 6.552 11.847 1.00 0.00 H new ATOM 1207 N ASN A 73 -22.569 8.171 9.563 1.00 0.00 N ATOM 1208 CA ASN A 73 -23.982 8.066 9.909 1.00 0.00 C ATOM 1209 C ASN A 73 -24.716 7.103 8.977 1.00 0.00 C ATOM 1210 O ASN A 73 -25.557 6.319 9.418 1.00 0.00 O ATOM 1211 CB ASN A 73 -24.641 9.446 9.851 1.00 0.00 C ATOM 1212 CG ASN A 73 -26.089 9.415 10.299 1.00 0.00 C ATOM 1213 OD1 ASN A 73 -26.989 9.828 9.566 1.00 0.00 O ATOM 1214 ND2 ASN A 73 -26.323 8.922 11.509 1.00 0.00 N ATOM 0 H ASN A 73 -22.301 9.062 9.146 1.00 0.00 H new ATOM 0 HA ASN A 73 -24.048 7.672 10.923 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -24.083 10.139 10.481 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -24.587 9.829 8.832 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -27.278 8.874 11.864 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -25.548 8.591 12.083 1.00 0.00 H new ATOM 1221 N GLU A 74 -24.402 7.176 7.689 1.00 0.00 N ATOM 1222 CA GLU A 74 -25.040 6.319 6.693 1.00 0.00 C ATOM 1223 C GLU A 74 -24.412 4.928 6.648 1.00 0.00 C ATOM 1224 O GLU A 74 -25.116 3.925 6.534 1.00 0.00 O ATOM 1225 CB GLU A 74 -24.956 6.970 5.312 1.00 0.00 C ATOM 1226 CG GLU A 74 -26.198 6.757 4.463 1.00 0.00 C ATOM 1227 CD GLU A 74 -26.565 5.293 4.323 1.00 0.00 C ATOM 1228 OE1 GLU A 74 -25.652 4.470 4.100 1.00 0.00 O ATOM 1229 OE2 GLU A 74 -27.765 4.967 4.438 1.00 0.00 O ATOM 0 H GLU A 74 -23.709 7.820 7.308 1.00 0.00 H new ATOM 0 HA GLU A 74 -26.084 6.202 6.983 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -24.788 8.040 5.434 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -24.091 6.570 4.783 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -27.034 7.296 4.908 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -26.034 7.183 3.473 1.00 0.00 H new ATOM 1236 N LEU A 75 -23.086 4.873 6.714 1.00 0.00 N ATOM 1237 CA LEU A 75 -22.370 3.601 6.653 1.00 0.00 C ATOM 1238 C LEU A 75 -22.138 3.004 8.040 1.00 0.00 C ATOM 1239 O LEU A 75 -22.137 1.784 8.202 1.00 0.00 O ATOM 1240 CB LEU A 75 -21.030 3.785 5.939 1.00 0.00 C ATOM 1241 CG LEU A 75 -20.477 2.526 5.267 1.00 0.00 C ATOM 1242 CD1 LEU A 75 -19.405 2.891 4.252 1.00 0.00 C ATOM 1243 CD2 LEU A 75 -19.923 1.567 6.309 1.00 0.00 C ATOM 0 H LEU A 75 -22.485 5.692 6.810 1.00 0.00 H new ATOM 0 HA LEU A 75 -22.994 2.905 6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -21.142 4.563 5.183 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -20.297 4.145 6.661 1.00 0.00 H new ATOM 0 HG LEU A 75 -21.292 2.029 4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -19.023 1.984 3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -19.833 3.541 3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -18.590 3.411 4.755 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -19.534 0.677 5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -19.120 2.055 6.862 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -20.717 1.281 6.999 1.00 0.00 H new ATOM 1255 N GLY A 76 -21.934 3.860 9.033 1.00 0.00 N ATOM 1256 CA GLY A 76 -21.695 3.379 10.382 1.00 0.00 C ATOM 1257 C GLY A 76 -20.246 2.995 10.609 1.00 0.00 C ATOM 1258 O GLY A 76 -19.952 2.049 11.338 1.00 0.00 O ATOM 0 H GLY A 76 -21.929 4.875 8.930 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -21.980 4.152 11.096 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -22.332 2.516 10.575 1.00 0.00 H new ATOM 1262 N ILE A 77 -19.336 3.734 9.978 1.00 0.00 N ATOM 1263 CA ILE A 77 -17.909 3.468 10.111 1.00 0.00 C ATOM 1264 C ILE A 77 -17.211 4.580 10.889 1.00 0.00 C ATOM 1265 O ILE A 77 -17.360 5.760 10.574 1.00 0.00 O ATOM 1266 CB ILE A 77 -17.237 3.313 8.731 1.00 0.00 C ATOM 1267 CG1 ILE A 77 -15.767 2.919 8.893 1.00 0.00 C ATOM 1268 CG2 ILE A 77 -17.361 4.600 7.929 1.00 0.00 C ATOM 1269 CD1 ILE A 77 -15.325 1.829 7.941 1.00 0.00 C ATOM 0 H ILE A 77 -19.563 4.521 9.370 1.00 0.00 H new ATOM 0 HA ILE A 77 -17.810 2.532 10.661 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.748 2.519 8.186 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -15.144 3.800 8.738 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -15.599 2.586 9.917 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.881 4.472 6.959 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -18.415 4.838 7.784 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -16.876 5.413 8.469 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -14.273 1.601 8.112 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -15.923 0.933 8.110 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -15.460 2.166 6.913 1.00 0.00 H new ATOM 1281 N THR A 78 -16.446 4.195 11.906 1.00 0.00 N ATOM 1282 CA THR A 78 -15.726 5.158 12.731 1.00 0.00 C ATOM 1283 C THR A 78 -14.518 5.724 11.982 1.00 0.00 C ATOM 1284 O THR A 78 -13.657 4.972 11.525 1.00 0.00 O ATOM 1285 CB THR A 78 -15.267 4.500 14.034 1.00 0.00 C ATOM 1286 OG1 THR A 78 -16.224 3.559 14.483 1.00 0.00 O ATOM 1287 CG2 THR A 78 -15.034 5.491 15.155 1.00 0.00 C ATOM 0 H THR A 78 -16.309 3.222 12.178 1.00 0.00 H new ATOM 0 HA THR A 78 -16.405 5.979 12.963 1.00 0.00 H new ATOM 0 HB THR A 78 -14.319 4.017 13.797 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.912 3.148 15.316 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.711 4.959 16.050 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.264 6.202 14.857 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.960 6.026 15.366 1.00 0.00 H new ATOM 1295 N PRO A 79 -14.434 7.061 11.846 1.00 0.00 N ATOM 1296 CA PRO A 79 -13.318 7.713 11.147 1.00 0.00 C ATOM 1297 C PRO A 79 -11.964 7.323 11.728 1.00 0.00 C ATOM 1298 O PRO A 79 -11.864 6.947 12.896 1.00 0.00 O ATOM 1299 CB PRO A 79 -13.580 9.207 11.362 1.00 0.00 C ATOM 1300 CG PRO A 79 -15.041 9.305 11.635 1.00 0.00 C ATOM 1301 CD PRO A 79 -15.411 8.040 12.356 1.00 0.00 C ATOM 0 HA PRO A 79 -13.274 7.423 10.097 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -12.995 9.594 12.196 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.303 9.787 10.482 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.267 10.181 12.243 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.606 9.406 10.708 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.337 8.157 13.437 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.435 7.737 12.138 1.00 0.00 H new ATOM 1309 N VAL A 80 -10.924 7.417 10.906 1.00 0.00 N ATOM 1310 CA VAL A 80 -9.573 7.073 11.341 1.00 0.00 C ATOM 1311 C VAL A 80 -8.586 8.213 11.082 1.00 0.00 C ATOM 1312 O VAL A 80 -7.408 8.108 11.422 1.00 0.00 O ATOM 1313 CB VAL A 80 -9.064 5.803 10.632 1.00 0.00 C ATOM 1314 CG1 VAL A 80 -7.746 5.344 11.238 1.00 0.00 C ATOM 1315 CG2 VAL A 80 -10.107 4.697 10.705 1.00 0.00 C ATOM 0 H VAL A 80 -10.989 7.728 9.937 1.00 0.00 H new ATOM 0 HA VAL A 80 -9.631 6.892 12.414 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.891 6.040 9.582 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.402 4.446 10.724 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.001 6.132 11.128 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.889 5.124 12.296 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -9.730 3.808 10.199 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.314 4.460 11.749 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.024 5.029 10.219 1.00 0.00 H new ATOM 1325 N VAL A 81 -9.068 9.300 10.483 1.00 0.00 N ATOM 1326 CA VAL A 81 -8.217 10.448 10.188 1.00 0.00 C ATOM 1327 C VAL A 81 -8.988 11.755 10.337 1.00 0.00 C ATOM 1328 O VAL A 81 -10.217 11.771 10.285 1.00 0.00 O ATOM 1329 CB VAL A 81 -7.640 10.366 8.763 1.00 0.00 C ATOM 1330 CG1 VAL A 81 -6.602 11.458 8.543 1.00 0.00 C ATOM 1331 CG2 VAL A 81 -7.040 8.991 8.507 1.00 0.00 C ATOM 0 H VAL A 81 -10.040 9.409 10.194 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.397 10.428 10.906 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.452 10.520 8.053 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.205 11.384 7.530 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.066 12.434 8.681 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.790 11.338 9.260 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.637 8.952 7.495 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.240 8.804 9.223 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.813 8.230 8.619 1.00 0.00 H new ATOM 1341 N SER A 82 -8.257 12.849 10.520 1.00 0.00 N ATOM 1342 CA SER A 82 -8.873 14.161 10.675 1.00 0.00 C ATOM 1343 C SER A 82 -9.168 14.787 9.315 1.00 0.00 C ATOM 1344 O SER A 82 -8.562 14.421 8.308 1.00 0.00 O ATOM 1345 CB SER A 82 -7.962 15.085 11.487 1.00 0.00 C ATOM 1346 OG SER A 82 -8.220 14.965 12.876 1.00 0.00 O ATOM 0 H SER A 82 -7.238 12.853 10.565 1.00 0.00 H new ATOM 0 HA SER A 82 -9.815 14.031 11.208 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.919 14.841 11.285 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.114 16.118 11.174 1.00 0.00 H new ATOM 0 HG SER A 82 -7.624 15.564 13.372 1.00 0.00 H new ATOM 1352 N ALA A 83 -10.104 15.730 9.293 1.00 0.00 N ATOM 1353 CA ALA A 83 -10.481 16.406 8.059 1.00 0.00 C ATOM 1354 C ALA A 83 -9.325 17.231 7.503 1.00 0.00 C ATOM 1355 O ALA A 83 -9.061 17.219 6.301 1.00 0.00 O ATOM 1356 CB ALA A 83 -11.696 17.291 8.292 1.00 0.00 C ATOM 0 H ALA A 83 -10.616 16.043 10.118 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.734 15.643 7.323 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.967 17.790 7.361 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.532 16.679 8.632 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.462 18.039 9.050 1.00 0.00 H new ATOM 1362 N GLN A 84 -8.640 17.950 8.385 1.00 0.00 N ATOM 1363 CA GLN A 84 -7.514 18.786 7.981 1.00 0.00 C ATOM 1364 C GLN A 84 -6.369 17.937 7.431 1.00 0.00 C ATOM 1365 O GLN A 84 -5.644 18.365 6.534 1.00 0.00 O ATOM 1366 CB GLN A 84 -7.020 19.619 9.165 1.00 0.00 C ATOM 1367 CG GLN A 84 -6.511 18.782 10.329 1.00 0.00 C ATOM 1368 CD GLN A 84 -4.999 18.803 10.441 1.00 0.00 C ATOM 1369 OE1 GLN A 84 -4.309 17.969 9.852 1.00 0.00 O ATOM 1370 NE2 GLN A 84 -4.474 19.755 11.203 1.00 0.00 N ATOM 0 H GLN A 84 -8.844 17.971 9.384 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.858 19.454 7.191 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -6.221 20.279 8.826 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -7.833 20.256 9.514 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.946 19.153 11.257 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -6.849 17.753 10.208 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -5.082 20.426 11.673 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -3.462 19.816 11.319 1.00 0.00 H new ATOM 1379 N ALA A 85 -6.211 16.737 7.978 1.00 0.00 N ATOM 1380 CA ALA A 85 -5.150 15.834 7.544 1.00 0.00 C ATOM 1381 C ALA A 85 -5.396 15.327 6.125 1.00 0.00 C ATOM 1382 O ALA A 85 -4.485 15.317 5.295 1.00 0.00 O ATOM 1383 CB ALA A 85 -5.029 14.666 8.508 1.00 0.00 C ATOM 0 H ALA A 85 -6.803 16.367 8.722 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.214 16.392 7.541 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.234 13.999 8.174 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.794 15.040 9.505 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.972 14.120 8.538 1.00 0.00 H new ATOM 1389 N VAL A 86 -6.625 14.902 5.853 1.00 0.00 N ATOM 1390 CA VAL A 86 -6.979 14.390 4.534 1.00 0.00 C ATOM 1391 C VAL A 86 -6.867 15.474 3.467 1.00 0.00 C ATOM 1392 O VAL A 86 -6.392 15.221 2.360 1.00 0.00 O ATOM 1393 CB VAL A 86 -8.406 13.804 4.515 1.00 0.00 C ATOM 1394 CG1 VAL A 86 -8.463 12.516 5.321 1.00 0.00 C ATOM 1395 CG2 VAL A 86 -9.412 14.815 5.044 1.00 0.00 C ATOM 0 H VAL A 86 -7.391 14.902 6.526 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.269 13.594 4.309 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.668 13.575 3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.477 12.116 5.297 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.775 11.787 4.892 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.178 12.720 6.353 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -10.411 14.380 5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.155 15.081 6.069 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -9.391 15.709 4.421 1.00 0.00 H new ATOM 1405 N VAL A 87 -7.307 16.683 3.802 1.00 0.00 N ATOM 1406 CA VAL A 87 -7.252 17.801 2.867 1.00 0.00 C ATOM 1407 C VAL A 87 -5.814 18.248 2.628 1.00 0.00 C ATOM 1408 O VAL A 87 -5.466 18.699 1.537 1.00 0.00 O ATOM 1409 CB VAL A 87 -8.077 19.003 3.377 1.00 0.00 C ATOM 1410 CG1 VAL A 87 -8.009 20.161 2.392 1.00 0.00 C ATOM 1411 CG2 VAL A 87 -9.519 18.592 3.626 1.00 0.00 C ATOM 0 H VAL A 87 -7.705 16.913 4.713 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.680 17.450 1.928 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.648 19.337 4.322 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.597 20.997 2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.972 20.473 2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.409 19.844 1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.085 19.451 3.985 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.959 18.229 2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.548 17.800 4.375 1.00 0.00 H new ATOM 1421 N ALA A 88 -4.982 18.122 3.656 1.00 0.00 N ATOM 1422 CA ALA A 88 -3.581 18.516 3.560 1.00 0.00 C ATOM 1423 C ALA A 88 -2.707 17.365 3.065 1.00 0.00 C ATOM 1424 O ALA A 88 -1.554 17.572 2.687 1.00 0.00 O ATOM 1425 CB ALA A 88 -3.084 19.015 4.907 1.00 0.00 C ATOM 0 H ALA A 88 -5.254 17.750 4.566 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.510 19.323 2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.037 19.306 4.823 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.676 19.876 5.217 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.182 18.221 5.648 1.00 0.00 H new ATOM 1431 N GLY A 89 -3.258 16.153 3.068 1.00 0.00 N ATOM 1432 CA GLY A 89 -2.504 14.998 2.615 1.00 0.00 C ATOM 1433 C GLY A 89 -1.238 14.779 3.418 1.00 0.00 C ATOM 1434 O GLY A 89 -0.239 14.283 2.893 1.00 0.00 O ATOM 0 H GLY A 89 -4.210 15.952 3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.132 14.109 2.683 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.246 15.126 1.564 1.00 0.00 H new ATOM 1438 N SER A 90 -1.276 15.149 4.695 1.00 0.00 N ATOM 1439 CA SER A 90 -0.121 14.991 5.571 1.00 0.00 C ATOM 1440 C SER A 90 -0.249 13.730 6.420 1.00 0.00 C ATOM 1441 O SER A 90 0.230 13.682 7.553 1.00 0.00 O ATOM 1442 CB SER A 90 0.029 16.215 6.476 1.00 0.00 C ATOM 1443 OG SER A 90 0.873 17.187 5.884 1.00 0.00 O ATOM 0 H SER A 90 -2.094 15.560 5.145 1.00 0.00 H new ATOM 0 HA SER A 90 0.767 14.897 4.946 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.951 16.650 6.670 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.439 15.911 7.439 1.00 0.00 H new ATOM 0 HG SER A 90 0.951 17.960 6.481 1.00 0.00 H new ATOM 1449 N ASP A 91 -0.894 12.709 5.864 1.00 0.00 N ATOM 1450 CA ASP A 91 -1.082 11.449 6.573 1.00 0.00 C ATOM 1451 C ASP A 91 -1.347 10.308 5.593 1.00 0.00 C ATOM 1452 O ASP A 91 -2.481 9.851 5.449 1.00 0.00 O ATOM 1453 CB ASP A 91 -2.239 11.567 7.566 1.00 0.00 C ATOM 1454 CG ASP A 91 -1.765 11.883 8.970 1.00 0.00 C ATOM 1455 OD1 ASP A 91 -1.230 10.972 9.636 1.00 0.00 O ATOM 1456 OD2 ASP A 91 -1.929 13.043 9.406 1.00 0.00 O ATOM 0 H ASP A 91 -1.294 12.730 4.926 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.166 11.227 7.120 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.923 12.347 7.232 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.802 10.633 7.577 1.00 0.00 H new ATOM 1461 N PRO A 92 -0.297 9.829 4.903 1.00 0.00 N ATOM 1462 CA PRO A 92 -0.420 8.734 3.934 1.00 0.00 C ATOM 1463 C PRO A 92 -0.898 7.440 4.584 1.00 0.00 C ATOM 1464 O PRO A 92 -1.748 6.737 4.038 1.00 0.00 O ATOM 1465 CB PRO A 92 1.003 8.566 3.389 1.00 0.00 C ATOM 1466 CG PRO A 92 1.887 9.190 4.413 1.00 0.00 C ATOM 1467 CD PRO A 92 1.089 10.311 5.015 1.00 0.00 C ATOM 0 HA PRO A 92 -1.157 8.958 3.163 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.248 7.514 3.245 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.115 9.055 2.421 1.00 0.00 H new ATOM 0 HG2 PRO A 92 2.177 8.465 5.173 1.00 0.00 H new ATOM 0 HG3 PRO A 92 2.806 9.563 3.961 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.370 10.494 6.052 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.236 11.246 4.475 1.00 0.00 H new ATOM 1475 N LEU A 93 -0.345 7.132 5.754 1.00 0.00 N ATOM 1476 CA LEU A 93 -0.716 5.922 6.479 1.00 0.00 C ATOM 1477 C LEU A 93 -2.185 5.960 6.888 1.00 0.00 C ATOM 1478 O LEU A 93 -2.880 4.946 6.834 1.00 0.00 O ATOM 1479 CB LEU A 93 0.166 5.757 7.717 1.00 0.00 C ATOM 1480 CG LEU A 93 1.447 4.948 7.495 1.00 0.00 C ATOM 1481 CD1 LEU A 93 2.345 5.023 8.721 1.00 0.00 C ATOM 1482 CD2 LEU A 93 1.111 3.501 7.166 1.00 0.00 C ATOM 0 H LEU A 93 0.361 7.703 6.219 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.566 5.070 5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.438 6.746 8.085 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.419 5.275 8.500 1.00 0.00 H new ATOM 0 HG LEU A 93 1.985 5.378 6.650 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.250 4.442 8.545 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.612 6.062 8.913 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.817 4.618 9.584 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.032 2.940 7.011 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.552 3.060 7.992 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.507 3.465 6.259 1.00 0.00 H new ATOM 1494 N GLY A 94 -2.651 7.137 7.295 1.00 0.00 N ATOM 1495 CA GLY A 94 -4.034 7.284 7.705 1.00 0.00 C ATOM 1496 C GLY A 94 -5.004 7.077 6.558 1.00 0.00 C ATOM 1497 O GLY A 94 -6.017 6.395 6.708 1.00 0.00 O ATOM 0 H GLY A 94 -2.095 7.991 7.348 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.253 6.567 8.496 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.181 8.278 8.126 1.00 0.00 H new ATOM 1501 N LEU A 95 -4.691 7.667 5.409 1.00 0.00 N ATOM 1502 CA LEU A 95 -5.541 7.544 4.230 1.00 0.00 C ATOM 1503 C LEU A 95 -5.686 6.085 3.813 1.00 0.00 C ATOM 1504 O LEU A 95 -6.778 5.630 3.474 1.00 0.00 O ATOM 1505 CB LEU A 95 -4.967 8.364 3.073 1.00 0.00 C ATOM 1506 CG LEU A 95 -5.939 8.636 1.927 1.00 0.00 C ATOM 1507 CD1 LEU A 95 -6.805 9.848 2.238 1.00 0.00 C ATOM 1508 CD2 LEU A 95 -5.182 8.840 0.624 1.00 0.00 C ATOM 0 H LEU A 95 -3.855 8.235 5.269 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.529 7.930 4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.615 9.318 3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -4.097 7.842 2.675 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.590 7.769 1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -7.491 10.027 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.375 9.664 3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.170 10.723 2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.890 9.033 -0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.507 9.690 0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.606 7.944 0.394 1.00 0.00 H new ATOM 1520 N ILE A 96 -4.575 5.353 3.841 1.00 0.00 N ATOM 1521 CA ILE A 96 -4.579 3.945 3.467 1.00 0.00 C ATOM 1522 C ILE A 96 -5.362 3.114 4.477 1.00 0.00 C ATOM 1523 O ILE A 96 -6.115 2.213 4.105 1.00 0.00 O ATOM 1524 CB ILE A 96 -3.146 3.387 3.357 1.00 0.00 C ATOM 1525 CG1 ILE A 96 -2.296 4.276 2.446 1.00 0.00 C ATOM 1526 CG2 ILE A 96 -3.170 1.957 2.834 1.00 0.00 C ATOM 1527 CD1 ILE A 96 -0.816 4.220 2.757 1.00 0.00 C ATOM 0 H ILE A 96 -3.662 5.713 4.119 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.061 3.877 2.492 1.00 0.00 H new ATOM 0 HB ILE A 96 -2.699 3.383 4.351 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.453 3.976 1.410 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.639 5.307 2.535 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.150 1.579 2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.743 1.329 3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.634 1.938 1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.275 4.874 2.073 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.647 4.548 3.783 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.458 3.197 2.640 1.00 0.00 H new ATOM 1539 N ALA A 97 -5.183 3.423 5.757 1.00 0.00 N ATOM 1540 CA ALA A 97 -5.873 2.705 6.821 1.00 0.00 C ATOM 1541 C ALA A 97 -7.384 2.842 6.680 1.00 0.00 C ATOM 1542 O ALA A 97 -8.124 1.871 6.840 1.00 0.00 O ATOM 1543 CB ALA A 97 -5.418 3.212 8.181 1.00 0.00 C ATOM 0 H ALA A 97 -4.565 4.167 6.082 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.620 1.648 6.739 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.942 2.667 8.966 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.344 3.058 8.286 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.642 4.275 8.266 1.00 0.00 H new ATOM 1549 N TYR A 98 -7.838 4.056 6.382 1.00 0.00 N ATOM 1550 CA TYR A 98 -9.262 4.320 6.219 1.00 0.00 C ATOM 1551 C TYR A 98 -9.799 3.649 4.960 1.00 0.00 C ATOM 1552 O TYR A 98 -10.903 3.103 4.957 1.00 0.00 O ATOM 1553 CB TYR A 98 -9.519 5.827 6.156 1.00 0.00 C ATOM 1554 CG TYR A 98 -10.912 6.224 6.589 1.00 0.00 C ATOM 1555 CD1 TYR A 98 -11.484 5.684 7.735 1.00 0.00 C ATOM 1556 CD2 TYR A 98 -11.655 7.138 5.853 1.00 0.00 C ATOM 1557 CE1 TYR A 98 -12.757 6.044 8.134 1.00 0.00 C ATOM 1558 CE2 TYR A 98 -12.929 7.504 6.247 1.00 0.00 C ATOM 1559 CZ TYR A 98 -13.476 6.953 7.386 1.00 0.00 C ATOM 1560 OH TYR A 98 -14.743 7.315 7.781 1.00 0.00 O ATOM 0 H TYR A 98 -7.240 4.871 6.249 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.784 3.905 7.081 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.792 6.337 6.788 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.353 6.173 5.136 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.924 4.972 8.323 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -11.231 7.570 4.959 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -13.187 5.616 9.027 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -13.493 8.218 5.665 1.00 0.00 H new ATOM 0 HH TYR A 98 -15.111 7.964 7.146 1.00 0.00 H new ATOM 1570 N LEU A 99 -9.010 3.690 3.891 1.00 0.00 N ATOM 1571 CA LEU A 99 -9.404 3.085 2.624 1.00 0.00 C ATOM 1572 C LEU A 99 -9.670 1.591 2.795 1.00 0.00 C ATOM 1573 O LEU A 99 -10.626 1.052 2.239 1.00 0.00 O ATOM 1574 CB LEU A 99 -8.320 3.306 1.568 1.00 0.00 C ATOM 1575 CG LEU A 99 -8.507 4.550 0.697 1.00 0.00 C ATOM 1576 CD1 LEU A 99 -7.162 5.175 0.361 1.00 0.00 C ATOM 1577 CD2 LEU A 99 -9.267 4.199 -0.573 1.00 0.00 C ATOM 0 H LEU A 99 -8.093 4.136 3.877 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.325 3.564 2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.355 3.374 2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.282 2.430 0.920 1.00 0.00 H new ATOM 0 HG LEU A 99 -9.091 5.279 1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -7.316 6.058 -0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.654 5.462 1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.551 4.453 -0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -9.392 5.095 -1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.708 3.452 -1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -10.247 3.798 -0.312 1.00 0.00 H new ATOM 1589 N SER A 100 -8.816 0.931 3.572 1.00 0.00 N ATOM 1590 CA SER A 100 -8.958 -0.499 3.817 1.00 0.00 C ATOM 1591 C SER A 100 -10.295 -0.805 4.484 1.00 0.00 C ATOM 1592 O SER A 100 -10.923 -1.825 4.201 1.00 0.00 O ATOM 1593 CB SER A 100 -7.811 -1.002 4.696 1.00 0.00 C ATOM 1594 OG SER A 100 -8.051 -2.325 5.142 1.00 0.00 O ATOM 0 H SER A 100 -8.020 1.363 4.041 1.00 0.00 H new ATOM 0 HA SER A 100 -8.924 -1.013 2.856 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.877 -0.968 4.135 1.00 0.00 H new ATOM 0 HB3 SER A 100 -7.691 -0.342 5.555 1.00 0.00 H new ATOM 0 HG SER A 100 -7.303 -2.623 5.700 1.00 0.00 H new ATOM 1600 N HIS A 101 -10.726 0.087 5.369 1.00 0.00 N ATOM 1601 CA HIS A 101 -11.990 -0.085 6.076 1.00 0.00 C ATOM 1602 C HIS A 101 -13.169 -0.006 5.110 1.00 0.00 C ATOM 1603 O HIS A 101 -14.111 -0.794 5.200 1.00 0.00 O ATOM 1604 CB HIS A 101 -12.132 0.976 7.170 1.00 0.00 C ATOM 1605 CG HIS A 101 -12.178 0.405 8.555 1.00 0.00 C ATOM 1606 ND1 HIS A 101 -12.675 -0.850 8.833 1.00 0.00 N ATOM 1607 CD2 HIS A 101 -11.783 0.924 9.741 1.00 0.00 C ATOM 1608 CE1 HIS A 101 -12.585 -1.079 10.132 1.00 0.00 C ATOM 1609 NE2 HIS A 101 -12.046 -0.019 10.705 1.00 0.00 N ATOM 0 H HIS A 101 -10.218 0.937 5.614 1.00 0.00 H new ATOM 0 HA HIS A 101 -11.992 -1.073 6.537 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -11.296 1.672 7.100 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -13.041 1.550 6.992 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -11.343 1.898 9.900 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -12.899 -1.980 10.638 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -11.856 0.083 11.702 1.00 0.00 H new ATOM 1618 N PHE A 102 -13.109 0.949 4.187 1.00 0.00 N ATOM 1619 CA PHE A 102 -14.171 1.128 3.203 1.00 0.00 C ATOM 1620 C PHE A 102 -14.299 -0.104 2.313 1.00 0.00 C ATOM 1621 O PHE A 102 -15.400 -0.482 1.914 1.00 0.00 O ATOM 1622 CB PHE A 102 -13.898 2.366 2.346 1.00 0.00 C ATOM 1623 CG PHE A 102 -14.275 3.656 3.014 1.00 0.00 C ATOM 1624 CD1 PHE A 102 -15.541 3.831 3.550 1.00 0.00 C ATOM 1625 CD2 PHE A 102 -13.362 4.695 3.108 1.00 0.00 C ATOM 1626 CE1 PHE A 102 -15.890 5.018 4.166 1.00 0.00 C ATOM 1627 CE2 PHE A 102 -13.705 5.884 3.722 1.00 0.00 C ATOM 1628 CZ PHE A 102 -14.970 6.046 4.252 1.00 0.00 C ATOM 0 H PHE A 102 -12.337 1.610 4.100 1.00 0.00 H new ATOM 0 HA PHE A 102 -15.110 1.267 3.739 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.838 2.395 2.092 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -14.448 2.277 1.409 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -16.263 3.031 3.486 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -12.371 4.573 2.696 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -16.880 5.142 4.579 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -12.985 6.686 3.787 1.00 0.00 H new ATOM 0 HZ PHE A 102 -15.240 6.975 4.733 1.00 0.00 H new ATOM 1638 N HIS A 103 -13.165 -0.725 2.007 1.00 0.00 N ATOM 1639 CA HIS A 103 -13.147 -1.914 1.163 1.00 0.00 C ATOM 1640 C HIS A 103 -13.881 -3.069 1.836 1.00 0.00 C ATOM 1641 O HIS A 103 -14.628 -3.803 1.190 1.00 0.00 O ATOM 1642 CB HIS A 103 -11.706 -2.324 0.854 1.00 0.00 C ATOM 1643 CG HIS A 103 -11.543 -2.974 -0.483 1.00 0.00 C ATOM 1644 ND1 HIS A 103 -12.099 -4.195 -0.801 1.00 0.00 N ATOM 1645 CD2 HIS A 103 -10.880 -2.566 -1.593 1.00 0.00 C ATOM 1646 CE1 HIS A 103 -11.785 -4.511 -2.045 1.00 0.00 C ATOM 1647 NE2 HIS A 103 -11.046 -3.539 -2.547 1.00 0.00 N ATOM 0 H HIS A 103 -12.246 -0.424 2.331 1.00 0.00 H new ATOM 0 HA HIS A 103 -13.658 -1.675 0.230 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -11.068 -1.441 0.900 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -11.358 -3.009 1.627 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -10.325 -1.647 -1.706 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -12.082 -5.411 -2.563 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -10.661 -3.515 -3.491 1.00 0.00 H new ATOM 1656 N SER A 104 -13.664 -3.226 3.138 1.00 0.00 N ATOM 1657 CA SER A 104 -14.306 -4.292 3.900 1.00 0.00 C ATOM 1658 C SER A 104 -15.825 -4.218 3.772 1.00 0.00 C ATOM 1659 O SER A 104 -16.496 -5.241 3.630 1.00 0.00 O ATOM 1660 CB SER A 104 -13.902 -4.210 5.373 1.00 0.00 C ATOM 1661 OG SER A 104 -12.567 -4.648 5.562 1.00 0.00 O ATOM 0 H SER A 104 -13.048 -2.628 3.688 1.00 0.00 H new ATOM 0 HA SER A 104 -13.972 -5.246 3.491 1.00 0.00 H new ATOM 0 HB2 SER A 104 -14.004 -3.183 5.725 1.00 0.00 H new ATOM 0 HB3 SER A 104 -14.577 -4.821 5.973 1.00 0.00 H new ATOM 0 HG SER A 104 -12.333 -4.584 6.512 1.00 0.00 H new ATOM 1667 N ALA A 105 -16.359 -3.003 3.824 1.00 0.00 N ATOM 1668 CA ALA A 105 -17.798 -2.797 3.714 1.00 0.00 C ATOM 1669 C ALA A 105 -18.244 -2.800 2.256 1.00 0.00 C ATOM 1670 O ALA A 105 -19.289 -3.353 1.917 1.00 0.00 O ATOM 1671 CB ALA A 105 -18.195 -1.491 4.386 1.00 0.00 C ATOM 0 H ALA A 105 -15.818 -2.147 3.942 1.00 0.00 H new ATOM 0 HA ALA A 105 -18.298 -3.622 4.221 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -19.272 -1.349 4.297 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -17.919 -1.526 5.440 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -17.678 -0.662 3.903 1.00 0.00 H new ATOM 1677 N PHE A 106 -17.443 -2.178 1.396 1.00 0.00 N ATOM 1678 CA PHE A 106 -17.753 -2.107 -0.026 1.00 0.00 C ATOM 1679 C PHE A 106 -17.711 -3.494 -0.663 1.00 0.00 C ATOM 1680 O PHE A 106 -18.534 -3.819 -1.518 1.00 0.00 O ATOM 1681 CB PHE A 106 -16.768 -1.177 -0.736 1.00 0.00 C ATOM 1682 CG PHE A 106 -17.122 0.280 -0.620 1.00 0.00 C ATOM 1683 CD1 PHE A 106 -17.643 0.792 0.559 1.00 0.00 C ATOM 1684 CD2 PHE A 106 -16.933 1.135 -1.692 1.00 0.00 C ATOM 1685 CE1 PHE A 106 -17.967 2.133 0.665 1.00 0.00 C ATOM 1686 CE2 PHE A 106 -17.257 2.475 -1.592 1.00 0.00 C ATOM 1687 CZ PHE A 106 -17.774 2.975 -0.413 1.00 0.00 C ATOM 0 H PHE A 106 -16.573 -1.716 1.661 1.00 0.00 H new ATOM 0 HA PHE A 106 -18.762 -1.709 -0.134 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -15.772 -1.334 -0.323 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -16.722 -1.448 -1.791 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -17.797 0.137 1.404 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -16.528 0.751 -2.617 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -18.370 2.521 1.589 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -17.106 3.131 -2.436 1.00 0.00 H new ATOM 0 HZ PHE A 106 -18.027 4.022 -0.334 1.00 0.00 H new ATOM 1697 N LYS A 107 -16.746 -4.305 -0.242 1.00 0.00 N ATOM 1698 CA LYS A 107 -16.598 -5.655 -0.773 1.00 0.00 C ATOM 1699 C LYS A 107 -17.719 -6.562 -0.276 1.00 0.00 C ATOM 1700 O LYS A 107 -18.325 -7.299 -1.054 1.00 0.00 O ATOM 1701 CB LYS A 107 -15.240 -6.237 -0.373 1.00 0.00 C ATOM 1702 CG LYS A 107 -14.726 -7.297 -1.333 1.00 0.00 C ATOM 1703 CD LYS A 107 -13.518 -8.027 -0.765 1.00 0.00 C ATOM 1704 CE LYS A 107 -12.419 -8.180 -1.804 1.00 0.00 C ATOM 1705 NZ LYS A 107 -11.065 -8.006 -1.208 1.00 0.00 N ATOM 0 H LYS A 107 -16.056 -4.051 0.465 1.00 0.00 H new ATOM 0 HA LYS A 107 -16.656 -5.599 -1.860 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -14.511 -5.429 -0.313 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -15.319 -6.670 0.624 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -15.520 -8.014 -1.543 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -14.458 -6.831 -2.281 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -13.133 -7.480 0.096 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -13.821 -9.011 -0.407 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -12.489 -9.165 -2.265 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -12.564 -7.446 -2.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.343 -8.118 -1.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.989 -7.057 -0.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.916 -8.722 -0.469 1.00 0.00 H new ATOM 1719 N SER A 108 -17.990 -6.504 1.023 1.00 0.00 N ATOM 1720 CA SER A 108 -19.039 -7.319 1.623 1.00 0.00 C ATOM 1721 C SER A 108 -20.396 -7.000 1.006 1.00 0.00 C ATOM 1722 O SER A 108 -21.000 -7.841 0.341 1.00 0.00 O ATOM 1723 CB SER A 108 -19.086 -7.095 3.137 1.00 0.00 C ATOM 1724 OG SER A 108 -18.322 -8.072 3.821 1.00 0.00 O ATOM 0 H SER A 108 -17.497 -5.900 1.681 1.00 0.00 H new ATOM 0 HA SER A 108 -18.809 -8.366 1.426 1.00 0.00 H new ATOM 0 HB2 SER A 108 -18.706 -6.101 3.373 1.00 0.00 H new ATOM 0 HB3 SER A 108 -20.120 -7.131 3.481 1.00 0.00 H new ATOM 0 HG SER A 108 -18.367 -7.906 4.786 1.00 0.00 H new ATOM 1730 N MET A 109 -20.870 -5.778 1.230 1.00 0.00 N ATOM 1731 CA MET A 109 -22.157 -5.348 0.695 1.00 0.00 C ATOM 1732 C MET A 109 -22.158 -5.407 -0.829 1.00 0.00 C ATOM 1733 O MET A 109 -23.238 -5.209 -1.426 1.00 0.00 O ATOM 1734 CB MET A 109 -22.478 -3.927 1.167 1.00 0.00 C ATOM 1735 CG MET A 109 -23.529 -3.875 2.265 1.00 0.00 C ATOM 1736 SD MET A 109 -22.811 -3.679 3.907 1.00 0.00 S ATOM 1737 CE MET A 109 -24.212 -4.104 4.940 1.00 0.00 C ATOM 1738 OXT MET A 109 -21.081 -5.648 -1.413 1.00 0.00 O ATOM 0 H MET A 109 -20.383 -5.069 1.778 1.00 0.00 H new ATOM 0 HA MET A 109 -22.925 -6.027 1.065 1.00 0.00 H new ATOM 0 HB2 MET A 109 -21.563 -3.457 1.528 1.00 0.00 H new ATOM 0 HB3 MET A 109 -22.823 -3.339 0.316 1.00 0.00 H new ATOM 0 HG2 MET A 109 -24.211 -3.048 2.070 1.00 0.00 H new ATOM 0 HG3 MET A 109 -24.121 -4.790 2.239 1.00 0.00 H new ATOM 0 HE1 MET A 109 -23.926 -4.030 5.989 1.00 0.00 H new ATOM 0 HE2 MET A 109 -25.034 -3.417 4.739 1.00 0.00 H new ATOM 0 HE3 MET A 109 -24.529 -5.124 4.721 1.00 0.00 H new TER 1748 MET A 109