USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 857 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 THR OG1 : rot -65:sc= 0.835 USER MOD Set 1.2: A 23 HIS : no HD1:sc= -0.13 X(o=0.58,f=0.79) USER MOD Set 1.3: A 26 GLN : amide:sc= -0.126 X(o=0.58,f=0.48) USER MOD Set 2.1: A 10 TYR OH : rot -71:sc= 1.28 USER MOD Set 2.2: A 14 HIS : no HD1:sc= 0.943 K(o=2.2,f=-4.4!) USER MOD Single : A 1 MET CE :methyl -158:sc= -0.171 (180deg=-0.884) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -76:sc= 0.369 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 87:sc= -1.44 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -26:sc= 0.0356 USER MOD Single : A 17 SER OG : rot -33:sc= 0.0103 USER MOD Single : A 19 LYS NZ :NH3+ 169:sc= -0.0386 (180deg=-0.217) USER MOD Single : A 20 ASN : amide:sc= 0.587 K(o=0.59,f=-4.5!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 84:sc= 0.803 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 30 THR OG1 : rot -92:sc= 2.05 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 76:sc= 0.603 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.0931 USER MOD Single : A 35 CYS SG : rot 180:sc= -0.515 USER MOD Single : A 43 SER OG : rot 27:sc= 0.448 USER MOD Single : A 45 GLN : amide:sc= -0.954! X(o=-0.95!,f=-1.4) USER MOD Single : A 49 THR OG1 : rot 94:sc= -0.498 USER MOD Single : A 50 LYS NZ :NH3+ 161:sc= -0.0607 (180deg=-0.367) USER MOD Single : A 53 MET CE :methyl -156:sc= -0.962 (180deg=-1.78!) USER MOD Single : A 54 LYS NZ :NH3+ 171:sc= 1.29 (180deg=1.15) USER MOD Single : A 62 GLN : amide:sc= 0.664 K(o=0.66,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc=-0.00696 (180deg=-0.121) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0586 USER MOD Single : A 68 SER OG : rot -25:sc= 0.287 USER MOD Single : A 76 SER OG : rot 69:sc= 0.0615 USER MOD Single : A 82 THR OG1 : rot 71:sc= 1.25 USER MOD Single : A 86 TYR OH : rot -30:sc= 0.545 USER MOD Single : A 91 ASN : amide:sc= -1.91 K(o=-1.9,f=-6.4!) USER MOD Single : A 98 TYR OH : rot 150:sc= 0.613 USER MOD Single : A 101 HIS : no HD1:sc= -0.0168 X(o=-0.017,f=-0.28) USER MOD Single : A 102 HIS : no HD1:sc= -0.263 X(o=-0.26,f=0) USER MOD Single : A 103 HIS :FLIP no HD1:sc= 0.0373 F(o=-0.69,f=0.037) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.0154 X(o=-0.015,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.381 2.756 5.419 1.00 0.00 N ATOM 2 CA MET A 1 -14.499 2.829 4.236 1.00 0.00 C ATOM 3 C MET A 1 -13.476 1.706 4.274 1.00 0.00 C ATOM 4 O MET A 1 -12.641 1.634 5.180 1.00 0.00 O ATOM 5 CB MET A 1 -13.781 4.183 4.181 1.00 0.00 C ATOM 6 CG MET A 1 -12.670 4.247 3.137 1.00 0.00 C ATOM 7 SD MET A 1 -11.892 5.872 3.045 1.00 0.00 S ATOM 8 CE MET A 1 -13.292 6.905 2.621 1.00 0.00 C ATOM 0 H1 MET A 1 -16.076 3.529 5.382 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.878 1.843 5.425 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.810 2.845 6.284 1.00 0.00 H new ATOM 0 HA MET A 1 -15.115 2.722 3.343 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.512 4.963 3.969 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.358 4.400 5.162 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.913 3.499 3.372 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.080 3.989 2.160 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.938 7.825 2.156 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.939 6.372 1.924 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.852 7.147 3.524 1.00 0.00 H new ATOM 20 N THR A 2 -13.559 0.826 3.295 1.00 0.00 N ATOM 21 CA THR A 2 -12.620 -0.273 3.171 1.00 0.00 C ATOM 22 C THR A 2 -11.364 0.193 2.450 1.00 0.00 C ATOM 23 O THR A 2 -11.320 1.309 1.924 1.00 0.00 O ATOM 24 CB THR A 2 -13.244 -1.452 2.401 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.717 -1.005 1.125 1.00 0.00 O ATOM 26 CG2 THR A 2 -14.390 -2.070 3.191 1.00 0.00 C ATOM 0 H THR A 2 -14.274 0.851 2.568 1.00 0.00 H new ATOM 0 HA THR A 2 -12.364 -0.610 4.175 1.00 0.00 H new ATOM 0 HB THR A 2 -12.477 -2.213 2.256 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.555 -0.511 1.242 1.00 0.00 H new ATOM 0 HG21 THR A 2 -14.815 -2.900 2.627 1.00 0.00 H new ATOM 0 HG22 THR A 2 -14.017 -2.435 4.148 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.160 -1.318 3.364 1.00 0.00 H new ATOM 34 N PHE A 3 -10.346 -0.653 2.421 1.00 0.00 N ATOM 35 CA PHE A 3 -9.118 -0.323 1.722 1.00 0.00 C ATOM 36 C PHE A 3 -9.391 -0.258 0.226 1.00 0.00 C ATOM 37 O PHE A 3 -8.819 0.566 -0.479 1.00 0.00 O ATOM 38 CB PHE A 3 -8.026 -1.348 2.032 1.00 0.00 C ATOM 39 CG PHE A 3 -6.680 -0.988 1.471 1.00 0.00 C ATOM 40 CD1 PHE A 3 -5.856 -0.091 2.132 1.00 0.00 C ATOM 41 CD2 PHE A 3 -6.237 -1.550 0.285 1.00 0.00 C ATOM 42 CE1 PHE A 3 -4.617 0.241 1.619 1.00 0.00 C ATOM 43 CE2 PHE A 3 -4.999 -1.222 -0.233 1.00 0.00 C ATOM 44 CZ PHE A 3 -4.189 -0.325 0.436 1.00 0.00 C ATOM 0 H PHE A 3 -10.347 -1.568 2.871 1.00 0.00 H new ATOM 0 HA PHE A 3 -8.763 0.650 2.062 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.941 -1.459 3.113 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -8.327 -2.317 1.635 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -6.186 0.354 3.059 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -6.867 -2.253 -0.241 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -3.985 0.942 2.143 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -4.665 -1.666 -1.159 1.00 0.00 H new ATOM 0 HZ PHE A 3 -3.221 -0.067 0.033 1.00 0.00 H new ATOM 54 N SER A 4 -10.296 -1.117 -0.238 1.00 0.00 N ATOM 55 CA SER A 4 -10.717 -1.119 -1.632 1.00 0.00 C ATOM 56 C SER A 4 -11.312 0.238 -2.005 1.00 0.00 C ATOM 57 O SER A 4 -10.960 0.822 -3.032 1.00 0.00 O ATOM 58 CB SER A 4 -11.742 -2.236 -1.867 1.00 0.00 C ATOM 59 OG SER A 4 -12.162 -2.284 -3.221 1.00 0.00 O ATOM 0 H SER A 4 -10.753 -1.824 0.338 1.00 0.00 H new ATOM 0 HA SER A 4 -9.849 -1.301 -2.265 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.306 -3.195 -1.587 1.00 0.00 H new ATOM 0 HB3 SER A 4 -12.607 -2.078 -1.223 1.00 0.00 H new ATOM 0 HG SER A 4 -12.813 -3.007 -3.336 1.00 0.00 H new ATOM 65 N GLU A 5 -12.199 0.736 -1.150 1.00 0.00 N ATOM 66 CA GLU A 5 -12.824 2.036 -1.348 1.00 0.00 C ATOM 67 C GLU A 5 -11.793 3.157 -1.297 1.00 0.00 C ATOM 68 O GLU A 5 -11.733 4.004 -2.190 1.00 0.00 O ATOM 69 CB GLU A 5 -13.875 2.266 -0.265 1.00 0.00 C ATOM 70 CG GLU A 5 -15.087 1.367 -0.384 1.00 0.00 C ATOM 71 CD GLU A 5 -15.988 1.478 0.823 1.00 0.00 C ATOM 72 OE1 GLU A 5 -16.858 2.369 0.844 1.00 0.00 O ATOM 73 OE2 GLU A 5 -15.806 0.683 1.768 1.00 0.00 O ATOM 0 H GLU A 5 -12.503 0.252 -0.305 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.292 2.043 -2.333 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.416 2.112 0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.201 3.305 -0.304 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.647 1.629 -1.281 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.763 0.333 -0.502 1.00 0.00 H new ATOM 80 N CYS A 6 -10.975 3.133 -0.255 1.00 0.00 N ATOM 81 CA CYS A 6 -9.999 4.186 -0.006 1.00 0.00 C ATOM 82 C CYS A 6 -8.958 4.245 -1.112 1.00 0.00 C ATOM 83 O CYS A 6 -8.670 5.313 -1.654 1.00 0.00 O ATOM 84 CB CYS A 6 -9.313 3.941 1.333 1.00 0.00 C ATOM 85 SG CYS A 6 -8.170 5.250 1.828 1.00 0.00 S ATOM 0 H CYS A 6 -10.968 2.386 0.440 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.525 5.141 0.017 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -10.075 3.828 2.104 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.769 2.998 1.283 1.00 0.00 H new ATOM 0 HG CYS A 6 -8.822 6.178 2.463 1.00 0.00 H new ATOM 91 N ALA A 7 -8.400 3.090 -1.436 1.00 0.00 N ATOM 92 CA ALA A 7 -7.410 2.992 -2.503 1.00 0.00 C ATOM 93 C ALA A 7 -7.980 3.502 -3.818 1.00 0.00 C ATOM 94 O ALA A 7 -7.326 4.263 -4.527 1.00 0.00 O ATOM 95 CB ALA A 7 -6.914 1.561 -2.655 1.00 0.00 C ATOM 0 H ALA A 7 -8.614 2.205 -0.977 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.561 3.619 -2.231 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.177 1.515 -3.457 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.456 1.234 -1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.753 0.909 -2.896 1.00 0.00 H new ATOM 101 N ALA A 8 -9.212 3.106 -4.125 1.00 0.00 N ATOM 102 CA ALA A 8 -9.868 3.553 -5.345 1.00 0.00 C ATOM 103 C ALA A 8 -10.028 5.068 -5.346 1.00 0.00 C ATOM 104 O ALA A 8 -9.825 5.722 -6.369 1.00 0.00 O ATOM 105 CB ALA A 8 -11.218 2.876 -5.504 1.00 0.00 C ATOM 0 H ALA A 8 -9.772 2.479 -3.547 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.240 3.274 -6.191 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.693 3.223 -6.422 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.080 1.796 -5.553 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.851 3.123 -4.652 1.00 0.00 H new ATOM 111 N LEU A 9 -10.376 5.622 -4.188 1.00 0.00 N ATOM 112 CA LEU A 9 -10.514 7.064 -4.042 1.00 0.00 C ATOM 113 C LEU A 9 -9.180 7.757 -4.275 1.00 0.00 C ATOM 114 O LEU A 9 -9.119 8.775 -4.956 1.00 0.00 O ATOM 115 CB LEU A 9 -11.055 7.423 -2.656 1.00 0.00 C ATOM 116 CG LEU A 9 -12.509 7.025 -2.403 1.00 0.00 C ATOM 117 CD1 LEU A 9 -12.918 7.379 -0.980 1.00 0.00 C ATOM 118 CD2 LEU A 9 -13.427 7.706 -3.406 1.00 0.00 C ATOM 0 H LEU A 9 -10.567 5.092 -3.338 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.225 7.410 -4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.428 6.945 -1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.959 8.499 -2.514 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.599 5.946 -2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.956 7.089 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.278 6.849 -0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.813 8.453 -0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.459 7.412 -3.213 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.333 8.788 -3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.148 7.407 -4.416 1.00 0.00 H new ATOM 130 N TYR A 10 -8.111 7.193 -3.717 1.00 0.00 N ATOM 131 CA TYR A 10 -6.775 7.747 -3.900 1.00 0.00 C ATOM 132 C TYR A 10 -6.396 7.752 -5.372 1.00 0.00 C ATOM 133 O TYR A 10 -5.899 8.751 -5.894 1.00 0.00 O ATOM 134 CB TYR A 10 -5.733 6.948 -3.115 1.00 0.00 C ATOM 135 CG TYR A 10 -4.320 7.451 -3.333 1.00 0.00 C ATOM 136 CD1 TYR A 10 -3.915 8.676 -2.826 1.00 0.00 C ATOM 137 CD2 TYR A 10 -3.401 6.710 -4.065 1.00 0.00 C ATOM 138 CE1 TYR A 10 -2.638 9.153 -3.040 1.00 0.00 C ATOM 139 CE2 TYR A 10 -2.117 7.177 -4.277 1.00 0.00 C ATOM 140 CZ TYR A 10 -1.742 8.399 -3.765 1.00 0.00 C ATOM 141 OH TYR A 10 -0.472 8.878 -3.989 1.00 0.00 O ATOM 0 H TYR A 10 -8.145 6.355 -3.136 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.791 8.770 -3.525 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.971 6.995 -2.052 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.790 5.900 -3.408 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.612 9.268 -2.252 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.694 5.755 -4.475 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.343 10.112 -2.641 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.411 6.586 -4.842 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.510 9.619 -4.629 1.00 0.00 H new ATOM 151 N ILE A 11 -6.631 6.628 -6.030 1.00 0.00 N ATOM 152 CA ILE A 11 -6.316 6.480 -7.445 1.00 0.00 C ATOM 153 C ILE A 11 -7.050 7.526 -8.276 1.00 0.00 C ATOM 154 O ILE A 11 -6.461 8.153 -9.145 1.00 0.00 O ATOM 155 CB ILE A 11 -6.668 5.065 -7.956 1.00 0.00 C ATOM 156 CG1 ILE A 11 -5.830 4.017 -7.219 1.00 0.00 C ATOM 157 CG2 ILE A 11 -6.441 4.962 -9.459 1.00 0.00 C ATOM 158 CD1 ILE A 11 -6.199 2.589 -7.558 1.00 0.00 C ATOM 0 H ILE A 11 -7.042 5.798 -5.604 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.242 6.629 -7.555 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.723 4.878 -7.757 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.778 4.176 -7.455 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.942 4.166 -6.145 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.695 3.957 -9.797 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.071 5.688 -9.973 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.394 5.167 -9.684 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.562 1.906 -6.997 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.242 2.411 -7.296 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.059 2.421 -8.626 1.00 0.00 H new ATOM 170 N LYS A 12 -8.331 7.725 -7.990 1.00 0.00 N ATOM 171 CA LYS A 12 -9.136 8.707 -8.717 1.00 0.00 C ATOM 172 C LYS A 12 -8.726 10.132 -8.357 1.00 0.00 C ATOM 173 O LYS A 12 -8.713 11.016 -9.213 1.00 0.00 O ATOM 174 CB LYS A 12 -10.620 8.522 -8.398 1.00 0.00 C ATOM 175 CG LYS A 12 -11.173 7.152 -8.745 1.00 0.00 C ATOM 176 CD LYS A 12 -12.521 6.930 -8.075 1.00 0.00 C ATOM 177 CE LYS A 12 -13.079 5.549 -8.369 1.00 0.00 C ATOM 178 NZ LYS A 12 -14.299 5.265 -7.568 1.00 0.00 N ATOM 0 H LYS A 12 -8.837 7.222 -7.261 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.965 8.547 -9.781 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.775 8.704 -7.335 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.191 9.278 -8.937 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.279 7.060 -9.826 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.472 6.380 -8.427 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.416 7.057 -6.998 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.226 7.687 -8.418 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.314 5.470 -9.430 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.320 4.797 -8.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.650 4.313 -7.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.069 5.315 -6.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.032 5.968 -7.791 1.00 0.00 H new ATOM 192 N ALA A 13 -8.403 10.351 -7.090 1.00 0.00 N ATOM 193 CA ALA A 13 -8.070 11.683 -6.610 1.00 0.00 C ATOM 194 C ALA A 13 -6.697 12.124 -7.091 1.00 0.00 C ATOM 195 O ALA A 13 -6.513 13.272 -7.481 1.00 0.00 O ATOM 196 CB ALA A 13 -8.137 11.738 -5.092 1.00 0.00 C ATOM 0 H ALA A 13 -8.365 9.623 -6.377 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.807 12.373 -7.022 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.885 12.743 -4.753 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.145 11.487 -4.763 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.429 11.024 -4.670 1.00 0.00 H new ATOM 202 N HIS A 14 -5.742 11.210 -7.084 1.00 0.00 N ATOM 203 CA HIS A 14 -4.362 11.559 -7.399 1.00 0.00 C ATOM 204 C HIS A 14 -3.989 11.104 -8.811 1.00 0.00 C ATOM 205 O HIS A 14 -2.818 11.112 -9.185 1.00 0.00 O ATOM 206 CB HIS A 14 -3.418 10.929 -6.363 1.00 0.00 C ATOM 207 CG HIS A 14 -2.135 11.682 -6.171 1.00 0.00 C ATOM 208 ND1 HIS A 14 -0.990 11.112 -5.654 1.00 0.00 N ATOM 209 CD2 HIS A 14 -1.834 12.980 -6.404 1.00 0.00 C ATOM 210 CE1 HIS A 14 -0.043 12.030 -5.578 1.00 0.00 C ATOM 211 NE2 HIS A 14 -0.529 13.172 -6.027 1.00 0.00 N ATOM 0 H HIS A 14 -5.892 10.225 -6.865 1.00 0.00 H new ATOM 0 HA HIS A 14 -4.261 12.644 -7.361 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.936 10.864 -5.406 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.187 9.909 -6.670 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.499 13.727 -6.812 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.960 11.872 -5.210 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -0.018 14.053 -6.084 1.00 0.00 H new ATOM 220 N ARG A 15 -4.996 10.731 -9.600 1.00 0.00 N ATOM 221 CA ARG A 15 -4.767 10.220 -10.952 1.00 0.00 C ATOM 222 C ARG A 15 -4.220 11.301 -11.875 1.00 0.00 C ATOM 223 O ARG A 15 -3.458 11.005 -12.787 1.00 0.00 O ATOM 224 CB ARG A 15 -6.058 9.646 -11.552 1.00 0.00 C ATOM 225 CG ARG A 15 -7.140 10.680 -11.804 1.00 0.00 C ATOM 226 CD ARG A 15 -8.312 10.090 -12.569 1.00 0.00 C ATOM 227 NE ARG A 15 -7.940 9.674 -13.924 1.00 0.00 N ATOM 228 CZ ARG A 15 -8.719 8.929 -14.709 1.00 0.00 C ATOM 229 NH1 ARG A 15 -9.906 8.524 -14.268 1.00 0.00 N ATOM 230 NH2 ARG A 15 -8.318 8.599 -15.933 1.00 0.00 N ATOM 0 H ARG A 15 -5.978 10.773 -9.327 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.026 9.425 -10.867 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.819 9.150 -12.493 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.450 8.883 -10.880 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.490 11.080 -10.852 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.722 11.515 -12.366 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.704 9.232 -12.023 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -9.114 10.826 -12.625 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.034 9.971 -14.287 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.218 8.783 -13.332 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.505 7.954 -14.866 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -7.411 8.916 -16.275 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.917 8.029 -16.530 1.00 0.00 H new ATOM 244 N SER A 16 -4.592 12.553 -11.623 1.00 0.00 N ATOM 245 CA SER A 16 -4.216 13.653 -12.505 1.00 0.00 C ATOM 246 C SER A 16 -2.747 14.012 -12.319 1.00 0.00 C ATOM 247 O SER A 16 -2.159 14.733 -13.128 1.00 0.00 O ATOM 248 CB SER A 16 -5.097 14.873 -12.229 1.00 0.00 C ATOM 249 OG SER A 16 -4.988 15.830 -13.270 1.00 0.00 O ATOM 0 H SER A 16 -5.152 12.830 -10.817 1.00 0.00 H new ATOM 0 HA SER A 16 -4.365 13.335 -13.537 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.136 14.559 -12.127 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.807 15.328 -11.282 1.00 0.00 H new ATOM 0 HG SER A 16 -4.120 15.733 -13.714 1.00 0.00 H new ATOM 255 N SER A 17 -2.168 13.516 -11.241 1.00 0.00 N ATOM 256 CA SER A 17 -0.752 13.699 -10.980 1.00 0.00 C ATOM 257 C SER A 17 0.046 12.643 -11.744 1.00 0.00 C ATOM 258 O SER A 17 1.266 12.738 -11.881 1.00 0.00 O ATOM 259 CB SER A 17 -0.486 13.603 -9.475 1.00 0.00 C ATOM 260 OG SER A 17 0.815 14.054 -9.140 1.00 0.00 O ATOM 0 H SER A 17 -2.661 12.979 -10.527 1.00 0.00 H new ATOM 0 HA SER A 17 -0.438 14.686 -11.320 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.226 14.196 -8.937 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.607 12.570 -9.150 1.00 0.00 H new ATOM 0 HG SER A 17 1.432 13.844 -9.872 1.00 0.00 H new ATOM 266 N TRP A 18 -0.663 11.644 -12.257 1.00 0.00 N ATOM 267 CA TRP A 18 -0.043 10.571 -13.017 1.00 0.00 C ATOM 268 C TRP A 18 -0.462 10.665 -14.476 1.00 0.00 C ATOM 269 O TRP A 18 -0.663 9.638 -15.122 1.00 0.00 O ATOM 270 CB TRP A 18 -0.479 9.196 -12.499 1.00 0.00 C ATOM 271 CG TRP A 18 -0.335 8.995 -11.024 1.00 0.00 C ATOM 272 CD1 TRP A 18 0.593 9.552 -10.196 1.00 0.00 C ATOM 273 CD2 TRP A 18 -1.149 8.148 -10.208 1.00 0.00 C ATOM 274 NE1 TRP A 18 0.395 9.113 -8.906 1.00 0.00 N ATOM 275 CE2 TRP A 18 -0.669 8.246 -8.889 1.00 0.00 C ATOM 276 CE3 TRP A 18 -2.243 7.318 -10.467 1.00 0.00 C ATOM 277 CZ2 TRP A 18 -1.246 7.544 -7.834 1.00 0.00 C ATOM 278 CZ3 TRP A 18 -2.814 6.620 -9.422 1.00 0.00 C ATOM 279 CH2 TRP A 18 -2.316 6.738 -8.118 1.00 0.00 C ATOM 0 H TRP A 18 -1.674 11.557 -12.158 1.00 0.00 H new ATOM 0 HA TRP A 18 1.036 10.677 -12.909 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -1.523 9.038 -12.771 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.104 8.431 -13.012 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.369 10.236 -10.506 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.949 9.388 -8.095 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.635 7.224 -11.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.863 7.632 -6.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.658 5.973 -9.613 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -2.786 6.182 -7.320 1.00 0.00 H new ATOM 290 N LYS A 19 -0.603 11.884 -14.998 1.00 0.00 N ATOM 291 CA LYS A 19 -1.116 12.068 -16.334 1.00 0.00 C ATOM 292 C LYS A 19 -2.626 11.870 -16.317 1.00 0.00 C ATOM 293 O LYS A 19 -3.205 12.155 -15.274 1.00 0.00 O ATOM 294 CB LYS A 19 -0.283 11.355 -17.387 1.00 0.00 C ATOM 295 CG LYS A 19 1.055 12.050 -17.597 1.00 0.00 C ATOM 296 CD LYS A 19 1.822 11.495 -18.781 1.00 0.00 C ATOM 297 CE LYS A 19 1.091 11.715 -20.095 1.00 0.00 C ATOM 298 NZ LYS A 19 0.849 13.156 -20.366 1.00 0.00 N ATOM 0 H LYS A 19 -0.367 12.748 -14.510 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.992 13.094 -16.679 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.115 10.322 -17.083 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.831 11.325 -18.329 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.887 13.117 -17.746 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.660 11.945 -16.696 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.803 11.968 -18.830 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.989 10.428 -18.635 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.674 11.286 -20.910 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.138 11.186 -20.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.520 13.275 -21.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.125 13.515 -19.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.732 13.688 -20.230 1.00 0.00 H new ATOM 312 N ASN A 20 -3.349 11.438 -17.345 1.00 0.00 N ATOM 313 CA ASN A 20 -3.360 10.104 -18.010 1.00 0.00 C ATOM 314 C ASN A 20 -2.086 9.476 -18.532 1.00 0.00 C ATOM 315 O ASN A 20 -1.584 9.793 -19.613 1.00 0.00 O ATOM 316 CB ASN A 20 -4.391 10.113 -19.136 1.00 0.00 C ATOM 317 CG ASN A 20 -5.813 10.198 -18.617 1.00 0.00 C ATOM 318 OD1 ASN A 20 -6.133 9.690 -17.538 1.00 0.00 O ATOM 319 ND2 ASN A 20 -6.677 10.844 -19.380 1.00 0.00 N ATOM 0 H ASN A 20 -4.017 12.066 -17.792 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.591 9.458 -17.163 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -4.197 10.959 -19.796 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.279 9.209 -19.735 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.649 10.937 -19.084 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.372 11.250 -20.265 1.00 0.00 H new ATOM 326 N THR A 21 -1.601 8.560 -17.723 1.00 0.00 N ATOM 327 CA THR A 21 -0.721 7.483 -18.173 1.00 0.00 C ATOM 328 C THR A 21 -1.470 6.164 -18.033 1.00 0.00 C ATOM 329 O THR A 21 -2.645 6.151 -17.665 1.00 0.00 O ATOM 330 CB THR A 21 0.576 7.367 -17.346 1.00 0.00 C ATOM 331 OG1 THR A 21 0.273 7.398 -15.947 1.00 0.00 O ATOM 332 CG2 THR A 21 1.569 8.456 -17.690 1.00 0.00 C ATOM 0 H THR A 21 -1.803 8.534 -16.724 1.00 0.00 H new ATOM 0 HA THR A 21 -0.443 7.708 -19.203 1.00 0.00 H new ATOM 0 HB THR A 21 1.039 6.413 -17.596 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.092 8.276 -15.711 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.467 8.335 -17.084 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.832 8.388 -18.746 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.124 9.431 -17.489 1.00 0.00 H new ATOM 340 N LYS A 22 -0.792 5.056 -18.294 1.00 0.00 N ATOM 341 CA LYS A 22 -1.362 3.748 -18.020 1.00 0.00 C ATOM 342 C LYS A 22 -0.967 3.290 -16.621 1.00 0.00 C ATOM 343 O LYS A 22 -1.201 2.145 -16.235 1.00 0.00 O ATOM 344 CB LYS A 22 -0.913 2.718 -19.053 1.00 0.00 C ATOM 345 CG LYS A 22 -1.356 3.042 -20.473 1.00 0.00 C ATOM 346 CD LYS A 22 -1.408 1.802 -21.357 1.00 0.00 C ATOM 347 CE LYS A 22 -0.083 1.055 -21.393 1.00 0.00 C ATOM 348 NZ LYS A 22 -0.139 -0.114 -22.312 1.00 0.00 N ATOM 0 H LYS A 22 0.147 5.037 -18.692 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.447 3.834 -18.080 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.174 2.643 -19.029 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.306 1.741 -18.773 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.341 3.509 -20.447 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.670 3.768 -20.909 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.188 1.133 -20.994 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.684 2.094 -22.370 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.709 1.732 -21.713 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.173 0.717 -20.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.781 -0.600 -22.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.878 -0.772 -21.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.358 0.212 -23.275 1.00 0.00 H new ATOM 362 N HIS A 23 -0.371 4.204 -15.863 1.00 0.00 N ATOM 363 CA HIS A 23 0.045 3.919 -14.489 1.00 0.00 C ATOM 364 C HIS A 23 -1.159 3.583 -13.621 1.00 0.00 C ATOM 365 O HIS A 23 -1.057 2.778 -12.700 1.00 0.00 O ATOM 366 CB HIS A 23 0.805 5.104 -13.875 1.00 0.00 C ATOM 367 CG HIS A 23 2.172 5.320 -14.454 1.00 0.00 C ATOM 368 ND1 HIS A 23 2.842 6.526 -14.388 1.00 0.00 N ATOM 369 CD2 HIS A 23 3.002 4.470 -15.106 1.00 0.00 C ATOM 370 CE1 HIS A 23 4.016 6.407 -14.975 1.00 0.00 C ATOM 371 NE2 HIS A 23 4.137 5.173 -15.417 1.00 0.00 N ATOM 0 H HIS A 23 -0.163 5.152 -16.176 1.00 0.00 H new ATOM 0 HA HIS A 23 0.714 3.059 -14.525 1.00 0.00 H new ATOM 0 HB2 HIS A 23 0.216 6.011 -14.013 1.00 0.00 H new ATOM 0 HB3 HIS A 23 0.898 4.945 -12.801 1.00 0.00 H new ATOM 0 HD2 HIS A 23 2.806 3.433 -15.337 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.754 7.189 -15.076 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.947 4.799 -15.912 1.00 0.00 H new ATOM 380 N ALA A 24 -2.305 4.185 -13.933 1.00 0.00 N ATOM 381 CA ALA A 24 -3.536 3.944 -13.181 1.00 0.00 C ATOM 382 C ALA A 24 -3.877 2.455 -13.170 1.00 0.00 C ATOM 383 O ALA A 24 -4.283 1.906 -12.143 1.00 0.00 O ATOM 384 CB ALA A 24 -4.686 4.748 -13.775 1.00 0.00 C ATOM 0 H ALA A 24 -2.407 4.845 -14.704 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.380 4.268 -12.152 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.595 4.558 -13.205 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.447 5.811 -13.733 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.840 4.451 -14.812 1.00 0.00 H new ATOM 390 N ASP A 25 -3.689 1.805 -14.314 1.00 0.00 N ATOM 391 CA ASP A 25 -3.926 0.369 -14.427 1.00 0.00 C ATOM 392 C ASP A 25 -2.862 -0.399 -13.666 1.00 0.00 C ATOM 393 O ASP A 25 -3.165 -1.311 -12.908 1.00 0.00 O ATOM 394 CB ASP A 25 -3.926 -0.074 -15.893 1.00 0.00 C ATOM 395 CG ASP A 25 -4.177 -1.564 -16.044 1.00 0.00 C ATOM 396 OD1 ASP A 25 -5.328 -1.996 -15.836 1.00 0.00 O ATOM 397 OD2 ASP A 25 -3.231 -2.305 -16.382 1.00 0.00 O ATOM 0 H ASP A 25 -3.373 2.249 -15.176 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.905 0.156 -13.998 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.692 0.478 -16.437 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.968 0.179 -16.347 1.00 0.00 H new ATOM 402 N GLN A 26 -1.617 0.006 -13.855 1.00 0.00 N ATOM 403 CA GLN A 26 -0.479 -0.630 -13.204 1.00 0.00 C ATOM 404 C GLN A 26 -0.610 -0.587 -11.681 1.00 0.00 C ATOM 405 O GLN A 26 -0.136 -1.486 -10.979 1.00 0.00 O ATOM 406 CB GLN A 26 0.804 0.062 -13.656 1.00 0.00 C ATOM 407 CG GLN A 26 1.103 -0.143 -15.132 1.00 0.00 C ATOM 408 CD GLN A 26 2.184 0.783 -15.651 1.00 0.00 C ATOM 409 OE1 GLN A 26 3.068 1.210 -14.912 1.00 0.00 O ATOM 410 NE2 GLN A 26 2.115 1.098 -16.934 1.00 0.00 N ATOM 0 H GLN A 26 -1.365 0.785 -14.464 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.449 -1.680 -13.494 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.725 1.130 -13.452 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.640 -0.314 -13.066 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.408 -1.177 -15.295 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.191 0.014 -15.707 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.364 0.721 -17.512 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.813 1.718 -17.345 1.00 0.00 H new ATOM 419 N TRP A 27 -1.249 0.457 -11.171 1.00 0.00 N ATOM 420 CA TRP A 27 -1.539 0.549 -9.748 1.00 0.00 C ATOM 421 C TRP A 27 -2.723 -0.342 -9.375 1.00 0.00 C ATOM 422 O TRP A 27 -2.613 -1.191 -8.492 1.00 0.00 O ATOM 423 CB TRP A 27 -1.836 1.999 -9.349 1.00 0.00 C ATOM 424 CG TRP A 27 -0.614 2.850 -9.191 1.00 0.00 C ATOM 425 CD1 TRP A 27 0.320 3.136 -10.142 1.00 0.00 C ATOM 426 CD2 TRP A 27 -0.207 3.546 -8.008 1.00 0.00 C ATOM 427 NE1 TRP A 27 1.291 3.954 -9.621 1.00 0.00 N ATOM 428 CE2 TRP A 27 0.989 4.223 -8.313 1.00 0.00 C ATOM 429 CE3 TRP A 27 -0.738 3.659 -6.719 1.00 0.00 C ATOM 430 CZ2 TRP A 27 1.663 5.003 -7.377 1.00 0.00 C ATOM 431 CZ3 TRP A 27 -0.070 4.435 -5.791 1.00 0.00 C ATOM 432 CH2 TRP A 27 1.120 5.098 -6.123 1.00 0.00 C ATOM 0 H TRP A 27 -1.576 1.251 -11.721 1.00 0.00 H new ATOM 0 HA TRP A 27 -0.658 0.206 -9.206 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -2.483 2.447 -10.103 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -2.391 2.000 -8.411 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.299 2.772 -11.158 1.00 0.00 H new ATOM 0 HE1 TRP A 27 2.105 4.304 -10.126 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.653 3.149 -6.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.580 5.514 -7.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.471 4.532 -4.793 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.619 5.696 -5.375 1.00 0.00 H new ATOM 443 N THR A 28 -3.832 -0.176 -10.086 1.00 0.00 N ATOM 444 CA THR A 28 -5.071 -0.874 -9.757 1.00 0.00 C ATOM 445 C THR A 28 -4.944 -2.388 -9.948 1.00 0.00 C ATOM 446 O THR A 28 -5.322 -3.166 -9.073 1.00 0.00 O ATOM 447 CB THR A 28 -6.239 -0.353 -10.618 1.00 0.00 C ATOM 448 OG1 THR A 28 -6.310 1.077 -10.537 1.00 0.00 O ATOM 449 CG2 THR A 28 -7.562 -0.954 -10.166 1.00 0.00 C ATOM 0 H THR A 28 -3.899 0.438 -10.897 1.00 0.00 H new ATOM 0 HA THR A 28 -5.273 -0.674 -8.705 1.00 0.00 H new ATOM 0 HB THR A 28 -6.056 -0.652 -11.650 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.680 1.472 -11.175 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.369 -0.569 -10.790 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.519 -2.039 -10.257 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.748 -0.684 -9.126 1.00 0.00 H new ATOM 457 N ASN A 29 -4.389 -2.787 -11.086 1.00 0.00 N ATOM 458 CA ASN A 29 -4.291 -4.197 -11.469 1.00 0.00 C ATOM 459 C ASN A 29 -3.587 -5.023 -10.401 1.00 0.00 C ATOM 460 O ASN A 29 -4.088 -6.063 -9.977 1.00 0.00 O ATOM 461 CB ASN A 29 -3.525 -4.316 -12.792 1.00 0.00 C ATOM 462 CG ASN A 29 -3.533 -5.717 -13.369 1.00 0.00 C ATOM 463 OD1 ASN A 29 -2.695 -6.553 -13.023 1.00 0.00 O ATOM 464 ND2 ASN A 29 -4.463 -5.975 -14.273 1.00 0.00 N ATOM 0 H ASN A 29 -3.993 -2.145 -11.772 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.303 -4.585 -11.582 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.960 -3.630 -13.518 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.493 -4.002 -12.635 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.506 -6.894 -14.713 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -5.138 -5.255 -14.531 1.00 0.00 H new ATOM 471 N THR A 30 -2.439 -4.543 -9.954 1.00 0.00 N ATOM 472 CA THR A 30 -1.634 -5.277 -8.996 1.00 0.00 C ATOM 473 C THR A 30 -2.252 -5.243 -7.600 1.00 0.00 C ATOM 474 O THR A 30 -2.282 -6.259 -6.903 1.00 0.00 O ATOM 475 CB THR A 30 -0.196 -4.727 -8.960 1.00 0.00 C ATOM 476 OG1 THR A 30 -0.221 -3.294 -8.984 1.00 0.00 O ATOM 477 CG2 THR A 30 0.612 -5.250 -10.141 1.00 0.00 C ATOM 0 H THR A 30 -2.044 -3.647 -10.240 1.00 0.00 H new ATOM 0 HA THR A 30 -1.604 -6.317 -9.322 1.00 0.00 H new ATOM 0 HB THR A 30 0.279 -5.065 -8.039 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.170 -2.981 -9.911 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.624 -4.849 -10.095 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.651 -6.339 -10.102 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.139 -4.937 -11.072 1.00 0.00 H new ATOM 485 N ILE A 31 -2.768 -4.085 -7.200 1.00 0.00 N ATOM 486 CA ILE A 31 -3.388 -3.948 -5.887 1.00 0.00 C ATOM 487 C ILE A 31 -4.640 -4.813 -5.791 1.00 0.00 C ATOM 488 O ILE A 31 -4.881 -5.452 -4.766 1.00 0.00 O ATOM 489 CB ILE A 31 -3.737 -2.473 -5.557 1.00 0.00 C ATOM 490 CG1 ILE A 31 -2.453 -1.645 -5.443 1.00 0.00 C ATOM 491 CG2 ILE A 31 -4.550 -2.376 -4.268 1.00 0.00 C ATOM 492 CD1 ILE A 31 -2.694 -0.173 -5.180 1.00 0.00 C ATOM 0 H ILE A 31 -2.769 -3.234 -7.762 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.658 -4.289 -5.153 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.347 -2.074 -6.368 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.840 -2.052 -4.639 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.881 -1.751 -6.365 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.781 -1.331 -4.061 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.478 -2.937 -4.380 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.973 -2.791 -3.442 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.738 0.346 -5.112 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.280 0.251 -5.995 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.238 -0.055 -4.243 1.00 0.00 H new ATOM 504 N LYS A 32 -5.414 -4.855 -6.871 1.00 0.00 N ATOM 505 CA LYS A 32 -6.621 -5.673 -6.922 1.00 0.00 C ATOM 506 C LYS A 32 -6.283 -7.142 -6.685 1.00 0.00 C ATOM 507 O LYS A 32 -7.027 -7.864 -6.022 1.00 0.00 O ATOM 508 CB LYS A 32 -7.317 -5.516 -8.280 1.00 0.00 C ATOM 509 CG LYS A 32 -8.703 -6.145 -8.338 1.00 0.00 C ATOM 510 CD LYS A 32 -9.328 -6.005 -9.718 1.00 0.00 C ATOM 511 CE LYS A 32 -10.763 -6.513 -9.738 1.00 0.00 C ATOM 512 NZ LYS A 32 -11.375 -6.392 -11.090 1.00 0.00 N ATOM 0 H LYS A 32 -5.226 -4.330 -7.725 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.295 -5.334 -6.135 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.400 -4.455 -8.514 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.692 -5.965 -9.052 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.635 -7.201 -8.075 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.348 -5.673 -7.597 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.308 -4.959 -10.023 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.735 -6.560 -10.445 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.784 -7.556 -9.422 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.358 -5.950 -9.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.352 -6.748 -11.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.379 -5.394 -11.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.823 -6.950 -11.772 1.00 0.00 H new ATOM 526 N THR A 33 -5.146 -7.570 -7.216 1.00 0.00 N ATOM 527 CA THR A 33 -4.745 -8.966 -7.114 1.00 0.00 C ATOM 528 C THR A 33 -4.104 -9.282 -5.760 1.00 0.00 C ATOM 529 O THR A 33 -4.517 -10.224 -5.080 1.00 0.00 O ATOM 530 CB THR A 33 -3.762 -9.339 -8.237 1.00 0.00 C ATOM 531 OG1 THR A 33 -4.317 -8.972 -9.504 1.00 0.00 O ATOM 532 CG2 THR A 33 -3.459 -10.831 -8.228 1.00 0.00 C ATOM 0 H THR A 33 -4.488 -6.974 -7.719 1.00 0.00 H new ATOM 0 HA THR A 33 -5.654 -9.559 -7.212 1.00 0.00 H new ATOM 0 HB THR A 33 -2.831 -8.798 -8.069 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.243 -8.002 -9.625 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.762 -11.066 -9.032 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.015 -11.106 -7.271 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.383 -11.391 -8.374 1.00 0.00 H new ATOM 540 N TYR A 34 -3.104 -8.497 -5.367 1.00 0.00 N ATOM 541 CA TYR A 34 -2.343 -8.789 -4.154 1.00 0.00 C ATOM 542 C TYR A 34 -3.089 -8.371 -2.887 1.00 0.00 C ATOM 543 O TYR A 34 -3.234 -9.159 -1.958 1.00 0.00 O ATOM 544 CB TYR A 34 -0.974 -8.100 -4.190 1.00 0.00 C ATOM 545 CG TYR A 34 -0.070 -8.568 -5.311 1.00 0.00 C ATOM 546 CD1 TYR A 34 0.345 -9.892 -5.391 1.00 0.00 C ATOM 547 CD2 TYR A 34 0.380 -7.682 -6.281 1.00 0.00 C ATOM 548 CE1 TYR A 34 1.177 -10.319 -6.409 1.00 0.00 C ATOM 549 CE2 TYR A 34 1.211 -8.100 -7.301 1.00 0.00 C ATOM 550 CZ TYR A 34 1.607 -9.420 -7.361 1.00 0.00 C ATOM 551 OH TYR A 34 2.436 -9.839 -8.375 1.00 0.00 O ATOM 0 H TYR A 34 -2.803 -7.660 -5.866 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.207 -9.870 -4.125 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -1.124 -7.025 -4.285 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.470 -8.269 -3.238 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.012 -10.599 -4.646 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.074 -6.647 -6.237 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.489 -11.352 -6.458 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.549 -7.397 -8.048 1.00 0.00 H new ATOM 0 HH TYR A 34 2.644 -9.082 -8.961 1.00 0.00 H new ATOM 561 N CYS A 35 -3.572 -7.136 -2.859 1.00 0.00 N ATOM 562 CA CYS A 35 -4.143 -6.571 -1.640 1.00 0.00 C ATOM 563 C CYS A 35 -5.651 -6.801 -1.566 1.00 0.00 C ATOM 564 O CYS A 35 -6.226 -6.828 -0.474 1.00 0.00 O ATOM 565 CB CYS A 35 -3.837 -5.073 -1.567 1.00 0.00 C ATOM 566 SG CYS A 35 -2.079 -4.685 -1.722 1.00 0.00 S ATOM 0 H CYS A 35 -3.581 -6.507 -3.662 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.687 -7.078 -0.790 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.385 -4.560 -2.357 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.205 -4.681 -0.619 1.00 0.00 H new ATOM 0 HG CYS A 35 -1.911 -3.398 -1.652 1.00 0.00 H new ATOM 572 N GLY A 36 -6.269 -6.982 -2.728 1.00 0.00 N ATOM 573 CA GLY A 36 -7.715 -7.142 -2.815 1.00 0.00 C ATOM 574 C GLY A 36 -8.285 -8.185 -1.859 1.00 0.00 C ATOM 575 O GLY A 36 -9.062 -7.842 -0.967 1.00 0.00 O ATOM 0 H GLY A 36 -5.788 -7.022 -3.627 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.189 -6.182 -2.612 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.978 -7.418 -3.836 1.00 0.00 H new ATOM 579 N PRO A 37 -7.932 -9.470 -2.021 1.00 0.00 N ATOM 580 CA PRO A 37 -8.466 -10.549 -1.179 1.00 0.00 C ATOM 581 C PRO A 37 -7.970 -10.493 0.266 1.00 0.00 C ATOM 582 O PRO A 37 -8.542 -11.131 1.151 1.00 0.00 O ATOM 583 CB PRO A 37 -7.964 -11.832 -1.860 1.00 0.00 C ATOM 584 CG PRO A 37 -7.472 -11.406 -3.202 1.00 0.00 C ATOM 585 CD PRO A 37 -7.018 -9.987 -3.046 1.00 0.00 C ATOM 0 HA PRO A 37 -9.551 -10.481 -1.103 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.167 -12.298 -1.280 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.764 -12.567 -1.951 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.653 -12.043 -3.537 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.262 -11.483 -3.949 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.977 -9.927 -2.728 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.099 -9.430 -3.980 1.00 0.00 H new ATOM 593 N VAL A 38 -6.912 -9.733 0.507 1.00 0.00 N ATOM 594 CA VAL A 38 -6.304 -9.690 1.831 1.00 0.00 C ATOM 595 C VAL A 38 -6.895 -8.565 2.680 1.00 0.00 C ATOM 596 O VAL A 38 -7.600 -8.821 3.655 1.00 0.00 O ATOM 597 CB VAL A 38 -4.771 -9.520 1.751 1.00 0.00 C ATOM 598 CG1 VAL A 38 -4.150 -9.597 3.141 1.00 0.00 C ATOM 599 CG2 VAL A 38 -4.161 -10.569 0.829 1.00 0.00 C ATOM 0 H VAL A 38 -6.459 -9.142 -0.190 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.525 -10.646 2.305 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.557 -8.536 1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.070 -9.475 3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.561 -8.805 3.767 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.375 -10.566 3.587 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.081 -10.432 0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.386 -11.565 1.212 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.580 -10.462 -0.172 1.00 0.00 H new ATOM 609 N ILE A 39 -6.620 -7.323 2.298 1.00 0.00 N ATOM 610 CA ILE A 39 -7.043 -6.175 3.092 1.00 0.00 C ATOM 611 C ILE A 39 -8.078 -5.338 2.354 1.00 0.00 C ATOM 612 O ILE A 39 -8.482 -4.286 2.836 1.00 0.00 O ATOM 613 CB ILE A 39 -5.849 -5.276 3.481 1.00 0.00 C ATOM 614 CG1 ILE A 39 -5.038 -4.884 2.241 1.00 0.00 C ATOM 615 CG2 ILE A 39 -4.969 -5.980 4.504 1.00 0.00 C ATOM 616 CD1 ILE A 39 -3.888 -3.946 2.537 1.00 0.00 C ATOM 0 H ILE A 39 -6.109 -7.086 1.448 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.491 -6.578 4.000 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.236 -4.362 3.931 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.647 -5.787 1.773 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.703 -4.412 1.517 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.131 -5.335 4.769 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.554 -6.200 5.397 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.590 -6.910 4.080 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.361 -3.713 1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.273 -3.026 2.977 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.201 -4.422 3.236 1.00 0.00 H new ATOM 628 N GLY A 40 -8.509 -5.823 1.191 1.00 0.00 N ATOM 629 CA GLY A 40 -9.495 -5.110 0.391 1.00 0.00 C ATOM 630 C GLY A 40 -10.754 -4.755 1.165 1.00 0.00 C ATOM 631 O GLY A 40 -11.050 -3.571 1.346 1.00 0.00 O ATOM 0 H GLY A 40 -8.191 -6.703 0.785 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.046 -4.196 0.003 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.766 -5.722 -0.469 1.00 0.00 H new ATOM 635 N PRO A 41 -11.522 -5.758 1.628 1.00 0.00 N ATOM 636 CA PRO A 41 -12.766 -5.528 2.368 1.00 0.00 C ATOM 637 C PRO A 41 -12.530 -5.101 3.816 1.00 0.00 C ATOM 638 O PRO A 41 -13.479 -4.891 4.576 1.00 0.00 O ATOM 639 CB PRO A 41 -13.485 -6.890 2.324 1.00 0.00 C ATOM 640 CG PRO A 41 -12.658 -7.766 1.437 1.00 0.00 C ATOM 641 CD PRO A 41 -11.271 -7.192 1.446 1.00 0.00 C ATOM 0 HA PRO A 41 -13.340 -4.714 1.925 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.572 -7.318 3.323 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.497 -6.784 1.933 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.655 -8.794 1.800 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -13.063 -7.787 0.425 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.667 -7.604 2.254 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.741 -7.396 0.516 1.00 0.00 H new ATOM 649 N LEU A 42 -11.269 -4.973 4.199 1.00 0.00 N ATOM 650 CA LEU A 42 -10.926 -4.475 5.520 1.00 0.00 C ATOM 651 C LEU A 42 -10.941 -2.955 5.507 1.00 0.00 C ATOM 652 O LEU A 42 -10.628 -2.340 4.490 1.00 0.00 O ATOM 653 CB LEU A 42 -9.551 -4.983 5.966 1.00 0.00 C ATOM 654 CG LEU A 42 -9.469 -6.483 6.260 1.00 0.00 C ATOM 655 CD1 LEU A 42 -8.047 -6.871 6.641 1.00 0.00 C ATOM 656 CD2 LEU A 42 -10.436 -6.857 7.375 1.00 0.00 C ATOM 0 H LEU A 42 -10.467 -5.207 3.613 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.665 -4.844 6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.824 -4.742 5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.254 -4.438 6.862 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.749 -7.029 5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.005 -7.940 6.847 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.372 -6.633 5.819 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.745 -6.318 7.530 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.367 -7.927 7.573 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.181 -6.303 8.279 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.453 -6.609 7.073 1.00 0.00 H new ATOM 668 N SER A 43 -11.331 -2.354 6.616 1.00 0.00 N ATOM 669 CA SER A 43 -11.392 -0.909 6.710 1.00 0.00 C ATOM 670 C SER A 43 -10.002 -0.309 6.593 1.00 0.00 C ATOM 671 O SER A 43 -9.020 -0.895 7.051 1.00 0.00 O ATOM 672 CB SER A 43 -12.022 -0.492 8.037 1.00 0.00 C ATOM 673 OG SER A 43 -12.273 0.906 8.077 1.00 0.00 O ATOM 0 H SER A 43 -11.610 -2.846 7.465 1.00 0.00 H new ATOM 0 HA SER A 43 -12.007 -0.538 5.890 1.00 0.00 H new ATOM 0 HB2 SER A 43 -12.956 -1.035 8.184 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.360 -0.768 8.858 1.00 0.00 H new ATOM 0 HG SER A 43 -12.406 1.241 7.166 1.00 0.00 H new ATOM 679 N VAL A 44 -9.919 0.868 5.989 1.00 0.00 N ATOM 680 CA VAL A 44 -8.657 1.584 5.904 1.00 0.00 C ATOM 681 C VAL A 44 -8.198 1.984 7.308 1.00 0.00 C ATOM 682 O VAL A 44 -7.014 2.216 7.552 1.00 0.00 O ATOM 683 CB VAL A 44 -8.772 2.835 5.000 1.00 0.00 C ATOM 684 CG1 VAL A 44 -9.767 3.833 5.570 1.00 0.00 C ATOM 685 CG2 VAL A 44 -7.411 3.487 4.792 1.00 0.00 C ATOM 0 H VAL A 44 -10.708 1.345 5.553 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.918 0.921 5.454 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.142 2.509 4.028 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.827 4.702 4.914 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.749 3.366 5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.439 4.148 6.561 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.521 4.363 4.153 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.001 3.790 5.756 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.735 2.775 4.318 1.00 0.00 H new ATOM 695 N GLN A 45 -9.157 2.036 8.227 1.00 0.00 N ATOM 696 CA GLN A 45 -8.886 2.332 9.624 1.00 0.00 C ATOM 697 C GLN A 45 -8.201 1.142 10.297 1.00 0.00 C ATOM 698 O GLN A 45 -7.269 1.311 11.081 1.00 0.00 O ATOM 699 CB GLN A 45 -10.199 2.657 10.342 1.00 0.00 C ATOM 700 CG GLN A 45 -10.243 4.041 10.969 1.00 0.00 C ATOM 701 CD GLN A 45 -9.275 4.188 12.125 1.00 0.00 C ATOM 702 OE1 GLN A 45 -8.971 3.222 12.825 1.00 0.00 O ATOM 703 NE2 GLN A 45 -8.800 5.401 12.341 1.00 0.00 N ATOM 0 H GLN A 45 -10.143 1.874 8.021 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.220 3.193 9.682 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.020 2.567 9.631 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.368 1.913 11.120 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.012 4.788 10.209 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.255 4.245 11.319 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.079 6.173 11.736 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.154 5.566 13.113 1.00 0.00 H new ATOM 712 N ASP A 46 -8.649 -0.062 9.956 1.00 0.00 N ATOM 713 CA ASP A 46 -8.166 -1.277 10.605 1.00 0.00 C ATOM 714 C ASP A 46 -6.752 -1.653 10.170 1.00 0.00 C ATOM 715 O ASP A 46 -6.101 -2.468 10.823 1.00 0.00 O ATOM 716 CB ASP A 46 -9.110 -2.447 10.325 1.00 0.00 C ATOM 717 CG ASP A 46 -10.410 -2.348 11.093 1.00 0.00 C ATOM 718 OD1 ASP A 46 -10.380 -2.445 12.340 1.00 0.00 O ATOM 719 OD2 ASP A 46 -11.470 -2.183 10.457 1.00 0.00 O ATOM 0 H ASP A 46 -9.348 -0.223 9.231 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.140 -1.067 11.674 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.326 -2.486 9.257 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.611 -3.381 10.584 1.00 0.00 H new ATOM 724 N VAL A 47 -6.285 -1.071 9.068 1.00 0.00 N ATOM 725 CA VAL A 47 -4.948 -1.364 8.553 1.00 0.00 C ATOM 726 C VAL A 47 -3.875 -1.030 9.596 1.00 0.00 C ATOM 727 O VAL A 47 -3.644 0.134 9.920 1.00 0.00 O ATOM 728 CB VAL A 47 -4.656 -0.592 7.246 1.00 0.00 C ATOM 729 CG1 VAL A 47 -3.274 -0.940 6.709 1.00 0.00 C ATOM 730 CG2 VAL A 47 -5.723 -0.885 6.202 1.00 0.00 C ATOM 0 H VAL A 47 -6.811 -0.395 8.515 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.918 -2.432 8.336 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.676 0.475 7.470 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.091 -0.385 5.789 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.519 -0.675 7.449 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.222 -2.009 6.504 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.500 -0.333 5.289 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.737 -1.953 5.986 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.698 -0.579 6.582 1.00 0.00 H new ATOM 740 N ASP A 48 -3.236 -2.062 10.119 1.00 0.00 N ATOM 741 CA ASP A 48 -2.248 -1.906 11.180 1.00 0.00 C ATOM 742 C ASP A 48 -0.914 -2.481 10.747 1.00 0.00 C ATOM 743 O ASP A 48 -0.830 -3.222 9.766 1.00 0.00 O ATOM 744 CB ASP A 48 -2.752 -2.605 12.454 1.00 0.00 C ATOM 745 CG ASP A 48 -1.799 -2.528 13.638 1.00 0.00 C ATOM 746 OD1 ASP A 48 -0.863 -3.348 13.715 1.00 0.00 O ATOM 747 OD2 ASP A 48 -1.998 -1.656 14.513 1.00 0.00 O ATOM 0 H ASP A 48 -3.384 -3.027 9.825 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.107 -0.845 11.389 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.705 -2.162 12.742 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.943 -3.654 12.226 1.00 0.00 H new ATOM 752 N THR A 49 0.110 -2.129 11.499 1.00 0.00 N ATOM 753 CA THR A 49 1.474 -2.568 11.252 1.00 0.00 C ATOM 754 C THR A 49 1.543 -4.092 11.161 1.00 0.00 C ATOM 755 O THR A 49 2.195 -4.652 10.276 1.00 0.00 O ATOM 756 CB THR A 49 2.385 -2.095 12.402 1.00 0.00 C ATOM 757 OG1 THR A 49 1.922 -0.825 12.899 1.00 0.00 O ATOM 758 CG2 THR A 49 3.829 -1.966 11.942 1.00 0.00 C ATOM 0 H THR A 49 0.019 -1.520 12.312 1.00 0.00 H new ATOM 0 HA THR A 49 1.807 -2.139 10.307 1.00 0.00 H new ATOM 0 HB THR A 49 2.343 -2.840 13.196 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.323 -0.971 13.661 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.448 -1.631 12.775 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.187 -2.934 11.591 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.889 -1.241 11.130 1.00 0.00 H new ATOM 766 N LYS A 50 0.830 -4.747 12.070 1.00 0.00 N ATOM 767 CA LYS A 50 0.790 -6.200 12.151 1.00 0.00 C ATOM 768 C LYS A 50 0.213 -6.783 10.863 1.00 0.00 C ATOM 769 O LYS A 50 0.752 -7.736 10.302 1.00 0.00 O ATOM 770 CB LYS A 50 -0.063 -6.601 13.363 1.00 0.00 C ATOM 771 CG LYS A 50 0.065 -8.053 13.805 1.00 0.00 C ATOM 772 CD LYS A 50 -0.703 -9.001 12.903 1.00 0.00 C ATOM 773 CE LYS A 50 -0.799 -10.387 13.512 1.00 0.00 C ATOM 774 NZ LYS A 50 -1.614 -10.398 14.757 1.00 0.00 N ATOM 0 H LYS A 50 0.260 -4.280 12.776 1.00 0.00 H new ATOM 0 HA LYS A 50 1.798 -6.595 12.273 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.205 -5.959 14.202 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.109 -6.401 13.131 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.118 -8.336 13.813 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.300 -8.152 14.827 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.705 -8.608 12.728 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.211 -9.061 11.932 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.238 -11.071 12.786 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.203 -10.756 13.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.923 -11.370 14.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.042 -10.043 15.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.448 -9.789 14.632 1.00 0.00 H new ATOM 788 N LEU A 51 -0.872 -6.184 10.394 1.00 0.00 N ATOM 789 CA LEU A 51 -1.576 -6.676 9.222 1.00 0.00 C ATOM 790 C LEU A 51 -0.740 -6.503 7.960 1.00 0.00 C ATOM 791 O LEU A 51 -0.681 -7.402 7.123 1.00 0.00 O ATOM 792 CB LEU A 51 -2.916 -5.957 9.066 1.00 0.00 C ATOM 793 CG LEU A 51 -3.901 -6.151 10.219 1.00 0.00 C ATOM 794 CD1 LEU A 51 -5.203 -5.420 9.928 1.00 0.00 C ATOM 795 CD2 LEU A 51 -4.160 -7.630 10.470 1.00 0.00 C ATOM 0 H LEU A 51 -1.285 -5.350 10.812 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.757 -7.741 9.365 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.725 -4.890 8.949 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.388 -6.300 8.145 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.459 -5.730 11.122 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.896 -5.566 10.757 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.003 -4.355 9.806 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.645 -5.814 9.013 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.864 -7.741 11.295 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.579 -8.084 9.572 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.223 -8.126 10.723 1.00 0.00 H new ATOM 807 N ILE A 52 -0.083 -5.351 7.833 1.00 0.00 N ATOM 808 CA ILE A 52 0.743 -5.069 6.662 1.00 0.00 C ATOM 809 C ILE A 52 1.856 -6.107 6.527 1.00 0.00 C ATOM 810 O ILE A 52 2.155 -6.574 5.425 1.00 0.00 O ATOM 811 CB ILE A 52 1.360 -3.653 6.724 1.00 0.00 C ATOM 812 CG1 ILE A 52 0.260 -2.597 6.873 1.00 0.00 C ATOM 813 CG2 ILE A 52 2.185 -3.379 5.474 1.00 0.00 C ATOM 814 CD1 ILE A 52 0.783 -1.182 7.011 1.00 0.00 C ATOM 0 H ILE A 52 -0.107 -4.601 8.524 1.00 0.00 H new ATOM 0 HA ILE A 52 0.092 -5.119 5.789 1.00 0.00 H new ATOM 0 HB ILE A 52 2.015 -3.600 7.594 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.399 -2.648 6.006 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.345 -2.837 7.747 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.613 -2.378 5.533 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.987 -4.113 5.400 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.546 -3.450 4.594 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.055 -0.493 7.112 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.418 -1.113 7.894 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.363 -0.921 6.126 1.00 0.00 H new ATOM 826 N MET A 53 2.449 -6.482 7.658 1.00 0.00 N ATOM 827 CA MET A 53 3.489 -7.507 7.673 1.00 0.00 C ATOM 828 C MET A 53 2.950 -8.821 7.123 1.00 0.00 C ATOM 829 O MET A 53 3.635 -9.522 6.389 1.00 0.00 O ATOM 830 CB MET A 53 4.013 -7.741 9.093 1.00 0.00 C ATOM 831 CG MET A 53 4.663 -6.525 9.729 1.00 0.00 C ATOM 832 SD MET A 53 5.301 -6.875 11.379 1.00 0.00 S ATOM 833 CE MET A 53 5.905 -5.260 11.861 1.00 0.00 C ATOM 0 H MET A 53 2.228 -6.092 8.574 1.00 0.00 H new ATOM 0 HA MET A 53 4.307 -7.153 7.045 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.186 -8.067 9.723 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.737 -8.555 9.071 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.477 -6.177 9.093 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.935 -5.716 9.787 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.678 -5.373 12.621 1.00 0.00 H new ATOM 0 HE2 MET A 53 6.322 -4.753 10.991 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.083 -4.670 12.265 1.00 0.00 H new ATOM 843 N LYS A 54 1.716 -9.146 7.486 1.00 0.00 N ATOM 844 CA LYS A 54 1.097 -10.392 7.063 1.00 0.00 C ATOM 845 C LYS A 54 0.782 -10.375 5.572 1.00 0.00 C ATOM 846 O LYS A 54 0.910 -11.392 4.898 1.00 0.00 O ATOM 847 CB LYS A 54 -0.154 -10.683 7.898 1.00 0.00 C ATOM 848 CG LYS A 54 0.132 -10.910 9.385 1.00 0.00 C ATOM 849 CD LYS A 54 0.892 -12.211 9.653 1.00 0.00 C ATOM 850 CE LYS A 54 2.337 -12.155 9.169 1.00 0.00 C ATOM 851 NZ LYS A 54 3.068 -13.427 9.411 1.00 0.00 N ATOM 0 H LYS A 54 1.123 -8.561 8.075 1.00 0.00 H new ATOM 0 HA LYS A 54 1.809 -11.200 7.233 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.850 -9.850 7.795 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.651 -11.565 7.495 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.711 -10.071 9.771 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.810 -10.926 9.933 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.879 -12.422 10.722 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.379 -13.036 9.159 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.351 -11.929 8.103 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.855 -11.340 9.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.991 -13.394 8.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.213 -13.555 10.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.513 -14.223 9.038 1.00 0.00 H new ATOM 865 N VAL A 55 0.366 -9.223 5.064 1.00 0.00 N ATOM 866 CA VAL A 55 0.127 -9.066 3.635 1.00 0.00 C ATOM 867 C VAL A 55 1.416 -9.301 2.850 1.00 0.00 C ATOM 868 O VAL A 55 1.428 -10.005 1.843 1.00 0.00 O ATOM 869 CB VAL A 55 -0.406 -7.656 3.296 1.00 0.00 C ATOM 870 CG1 VAL A 55 -0.711 -7.532 1.811 1.00 0.00 C ATOM 871 CG2 VAL A 55 -1.637 -7.323 4.120 1.00 0.00 C ATOM 0 H VAL A 55 0.187 -8.385 5.618 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.625 -9.804 3.355 1.00 0.00 H new ATOM 0 HB VAL A 55 0.375 -6.939 3.547 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.085 -6.530 1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.198 -7.709 1.237 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.466 -8.267 1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.990 -6.325 3.860 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.422 -8.051 3.912 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.385 -7.354 5.180 1.00 0.00 H new ATOM 881 N LEU A 56 2.501 -8.719 3.340 1.00 0.00 N ATOM 882 CA LEU A 56 3.786 -8.778 2.657 1.00 0.00 C ATOM 883 C LEU A 56 4.497 -10.113 2.882 1.00 0.00 C ATOM 884 O LEU A 56 5.320 -10.522 2.065 1.00 0.00 O ATOM 885 CB LEU A 56 4.675 -7.627 3.132 1.00 0.00 C ATOM 886 CG LEU A 56 4.175 -6.225 2.772 1.00 0.00 C ATOM 887 CD1 LEU A 56 5.124 -5.166 3.309 1.00 0.00 C ATOM 888 CD2 LEU A 56 4.017 -6.085 1.264 1.00 0.00 C ATOM 0 H LEU A 56 2.517 -8.196 4.216 1.00 0.00 H new ATOM 0 HA LEU A 56 3.597 -8.685 1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.778 -7.692 4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.671 -7.760 2.709 1.00 0.00 H new ATOM 0 HG LEU A 56 3.199 -6.079 3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.753 -4.176 3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.188 -5.251 4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.113 -5.310 2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.661 -5.082 1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.979 -6.252 0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.297 -6.820 0.904 1.00 0.00 H new ATOM 900 N ASP A 57 4.164 -10.781 3.985 1.00 0.00 N ATOM 901 CA ASP A 57 4.858 -12.002 4.420 1.00 0.00 C ATOM 902 C ASP A 57 5.018 -13.025 3.283 1.00 0.00 C ATOM 903 O ASP A 57 6.145 -13.400 2.953 1.00 0.00 O ATOM 904 CB ASP A 57 4.124 -12.642 5.606 1.00 0.00 C ATOM 905 CG ASP A 57 5.032 -13.507 6.465 1.00 0.00 C ATOM 906 OD1 ASP A 57 5.636 -14.461 5.935 1.00 0.00 O ATOM 907 OD2 ASP A 57 5.122 -13.243 7.686 1.00 0.00 O ATOM 0 H ASP A 57 3.406 -10.495 4.605 1.00 0.00 H new ATOM 0 HA ASP A 57 5.859 -11.704 4.730 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.688 -11.857 6.223 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.299 -13.249 5.232 1.00 0.00 H new ATOM 912 N PRO A 58 3.914 -13.483 2.646 1.00 0.00 N ATOM 913 CA PRO A 58 3.993 -14.477 1.572 1.00 0.00 C ATOM 914 C PRO A 58 4.536 -13.878 0.279 1.00 0.00 C ATOM 915 O PRO A 58 4.920 -14.604 -0.643 1.00 0.00 O ATOM 916 CB PRO A 58 2.542 -14.923 1.390 1.00 0.00 C ATOM 917 CG PRO A 58 1.736 -13.745 1.806 1.00 0.00 C ATOM 918 CD PRO A 58 2.516 -13.071 2.901 1.00 0.00 C ATOM 0 HA PRO A 58 4.671 -15.294 1.817 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.338 -15.198 0.355 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.315 -15.796 2.002 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.576 -13.067 0.968 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.752 -14.052 2.161 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.405 -11.987 2.862 1.00 0.00 H new ATOM 0 HD3 PRO A 58 2.179 -13.391 3.887 1.00 0.00 H new ATOM 926 N ILE A 59 4.564 -12.554 0.208 1.00 0.00 N ATOM 927 CA ILE A 59 5.073 -11.864 -0.962 1.00 0.00 C ATOM 928 C ILE A 59 6.598 -11.836 -0.940 1.00 0.00 C ATOM 929 O ILE A 59 7.236 -11.945 -1.979 1.00 0.00 O ATOM 930 CB ILE A 59 4.525 -10.426 -1.045 1.00 0.00 C ATOM 931 CG1 ILE A 59 3.005 -10.431 -0.865 1.00 0.00 C ATOM 932 CG2 ILE A 59 4.898 -9.785 -2.376 1.00 0.00 C ATOM 933 CD1 ILE A 59 2.246 -11.137 -1.972 1.00 0.00 C ATOM 0 H ILE A 59 4.238 -11.937 0.952 1.00 0.00 H new ATOM 0 HA ILE A 59 4.736 -12.410 -1.843 1.00 0.00 H new ATOM 0 HB ILE A 59 4.973 -9.838 -0.244 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.765 -10.908 0.085 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.655 -9.401 -0.801 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.502 -8.770 -2.415 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.983 -9.755 -2.474 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.476 -10.371 -3.193 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.177 -11.093 -1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.452 -10.647 -2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.563 -12.179 -2.024 1.00 0.00 H new ATOM 945 N TRP A 60 7.176 -11.722 0.254 1.00 0.00 N ATOM 946 CA TRP A 60 8.632 -11.727 0.411 1.00 0.00 C ATOM 947 C TRP A 60 9.248 -13.023 -0.114 1.00 0.00 C ATOM 948 O TRP A 60 10.419 -13.058 -0.488 1.00 0.00 O ATOM 949 CB TRP A 60 9.029 -11.552 1.880 1.00 0.00 C ATOM 950 CG TRP A 60 8.858 -10.158 2.409 1.00 0.00 C ATOM 951 CD1 TRP A 60 7.918 -9.729 3.298 1.00 0.00 C ATOM 952 CD2 TRP A 60 9.664 -9.014 2.094 1.00 0.00 C ATOM 953 NE1 TRP A 60 8.079 -8.389 3.549 1.00 0.00 N ATOM 954 CE2 TRP A 60 9.146 -7.926 2.823 1.00 0.00 C ATOM 955 CE3 TRP A 60 10.771 -8.804 1.267 1.00 0.00 C ATOM 956 CZ2 TRP A 60 9.697 -6.648 2.747 1.00 0.00 C ATOM 957 CZ3 TRP A 60 11.316 -7.536 1.194 1.00 0.00 C ATOM 958 CH2 TRP A 60 10.779 -6.474 1.930 1.00 0.00 C ATOM 0 H TRP A 60 6.660 -11.625 1.128 1.00 0.00 H new ATOM 0 HA TRP A 60 9.013 -10.889 -0.172 1.00 0.00 H new ATOM 0 HB2 TRP A 60 8.434 -12.233 2.488 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.072 -11.847 1.999 1.00 0.00 H new ATOM 0 HD1 TRP A 60 7.156 -10.353 3.741 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.499 -7.829 4.174 1.00 0.00 H new ATOM 0 HE3 TRP A 60 11.193 -9.618 0.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 9.284 -5.826 3.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 12.171 -7.362 0.558 1.00 0.00 H new ATOM 0 HH2 TRP A 60 11.229 -5.496 1.851 1.00 0.00 H new ATOM 969 N GLU A 61 8.456 -14.088 -0.118 1.00 0.00 N ATOM 970 CA GLU A 61 8.912 -15.388 -0.558 1.00 0.00 C ATOM 971 C GLU A 61 8.877 -15.508 -2.077 1.00 0.00 C ATOM 972 O GLU A 61 9.684 -16.220 -2.676 1.00 0.00 O ATOM 973 CB GLU A 61 8.021 -16.447 0.066 1.00 0.00 C ATOM 974 CG GLU A 61 8.069 -16.463 1.582 1.00 0.00 C ATOM 975 CD GLU A 61 7.199 -17.546 2.179 1.00 0.00 C ATOM 976 OE1 GLU A 61 7.688 -18.684 2.337 1.00 0.00 O ATOM 977 OE2 GLU A 61 6.027 -17.269 2.496 1.00 0.00 O ATOM 0 H GLU A 61 7.482 -14.069 0.184 1.00 0.00 H new ATOM 0 HA GLU A 61 9.947 -15.525 -0.243 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.993 -16.280 -0.255 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.317 -17.427 -0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.099 -16.608 1.908 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.748 -15.493 1.962 1.00 0.00 H new ATOM 984 N GLN A 62 7.937 -14.809 -2.691 1.00 0.00 N ATOM 985 CA GLN A 62 7.722 -14.907 -4.125 1.00 0.00 C ATOM 986 C GLN A 62 8.354 -13.730 -4.866 1.00 0.00 C ATOM 987 O GLN A 62 9.114 -13.914 -5.820 1.00 0.00 O ATOM 988 CB GLN A 62 6.223 -14.960 -4.410 1.00 0.00 C ATOM 989 CG GLN A 62 5.530 -16.167 -3.794 1.00 0.00 C ATOM 990 CD GLN A 62 4.025 -16.125 -3.949 1.00 0.00 C ATOM 991 OE1 GLN A 62 3.472 -16.617 -4.933 1.00 0.00 O ATOM 992 NE2 GLN A 62 3.349 -15.542 -2.975 1.00 0.00 N ATOM 0 H GLN A 62 7.307 -14.163 -2.215 1.00 0.00 H new ATOM 0 HA GLN A 62 8.199 -15.819 -4.483 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.757 -14.051 -4.031 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.067 -14.972 -5.489 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.913 -17.076 -4.259 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.780 -16.221 -2.734 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.845 -15.146 -2.176 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.332 -15.488 -3.022 1.00 0.00 H new ATOM 1001 N LYS A 63 8.040 -12.525 -4.417 1.00 0.00 N ATOM 1002 CA LYS A 63 8.508 -11.309 -5.069 1.00 0.00 C ATOM 1003 C LYS A 63 8.984 -10.301 -4.021 1.00 0.00 C ATOM 1004 O LYS A 63 8.248 -9.380 -3.659 1.00 0.00 O ATOM 1005 CB LYS A 63 7.387 -10.686 -5.913 1.00 0.00 C ATOM 1006 CG LYS A 63 6.771 -11.631 -6.936 1.00 0.00 C ATOM 1007 CD LYS A 63 5.663 -10.949 -7.723 1.00 0.00 C ATOM 1008 CE LYS A 63 4.983 -11.909 -8.687 1.00 0.00 C ATOM 1009 NZ LYS A 63 5.932 -12.463 -9.690 1.00 0.00 N ATOM 0 H LYS A 63 7.457 -12.361 -3.596 1.00 0.00 H new ATOM 0 HA LYS A 63 9.340 -11.568 -5.724 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.602 -10.330 -5.246 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.783 -9.814 -6.434 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.543 -11.982 -7.621 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.372 -12.509 -6.429 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.924 -10.542 -7.033 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.077 -10.108 -8.279 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.532 -12.727 -8.125 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.173 -11.392 -9.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.403 -12.988 -10.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.456 -11.685 -10.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.601 -13.104 -9.218 1.00 0.00 H new ATOM 1023 N PRO A 64 10.214 -10.475 -3.509 1.00 0.00 N ATOM 1024 CA PRO A 64 10.759 -9.627 -2.437 1.00 0.00 C ATOM 1025 C PRO A 64 10.802 -8.149 -2.809 1.00 0.00 C ATOM 1026 O PRO A 64 10.308 -7.295 -2.066 1.00 0.00 O ATOM 1027 CB PRO A 64 12.180 -10.165 -2.229 1.00 0.00 C ATOM 1028 CG PRO A 64 12.164 -11.542 -2.799 1.00 0.00 C ATOM 1029 CD PRO A 64 11.167 -11.520 -3.923 1.00 0.00 C ATOM 0 HA PRO A 64 10.135 -9.672 -1.544 1.00 0.00 H new ATOM 0 HB2 PRO A 64 12.916 -9.539 -2.733 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.445 -10.180 -1.172 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.152 -11.825 -3.161 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.881 -12.273 -2.042 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.639 -11.279 -4.875 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.677 -12.486 -4.045 1.00 0.00 H new ATOM 1037 N GLU A 65 11.388 -7.847 -3.960 1.00 0.00 N ATOM 1038 CA GLU A 65 11.495 -6.488 -4.429 1.00 0.00 C ATOM 1039 C GLU A 65 10.113 -5.891 -4.653 1.00 0.00 C ATOM 1040 O GLU A 65 9.863 -4.735 -4.317 1.00 0.00 O ATOM 1041 CB GLU A 65 12.303 -6.449 -5.720 1.00 0.00 C ATOM 1042 CG GLU A 65 13.630 -7.188 -5.649 1.00 0.00 C ATOM 1043 CD GLU A 65 13.539 -8.604 -6.181 1.00 0.00 C ATOM 1044 OE1 GLU A 65 12.706 -9.383 -5.678 1.00 0.00 O ATOM 1045 OE2 GLU A 65 14.287 -8.935 -7.123 1.00 0.00 O ATOM 0 H GLU A 65 11.798 -8.540 -4.586 1.00 0.00 H new ATOM 0 HA GLU A 65 12.006 -5.894 -3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.704 -6.878 -6.523 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.493 -5.409 -5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.379 -6.638 -6.218 1.00 0.00 H new ATOM 0 HG3 GLU A 65 13.972 -7.214 -4.614 1.00 0.00 H new ATOM 1052 N THR A 66 9.206 -6.704 -5.186 1.00 0.00 N ATOM 1053 CA THR A 66 7.851 -6.252 -5.480 1.00 0.00 C ATOM 1054 C THR A 66 7.096 -5.932 -4.195 1.00 0.00 C ATOM 1055 O THR A 66 6.326 -4.974 -4.142 1.00 0.00 O ATOM 1056 CB THR A 66 7.078 -7.300 -6.305 1.00 0.00 C ATOM 1057 OG1 THR A 66 7.794 -7.582 -7.516 1.00 0.00 O ATOM 1058 CG2 THR A 66 5.679 -6.812 -6.648 1.00 0.00 C ATOM 0 H THR A 66 9.385 -7.680 -5.423 1.00 0.00 H new ATOM 0 HA THR A 66 7.930 -5.342 -6.075 1.00 0.00 H new ATOM 0 HB THR A 66 6.987 -8.205 -5.704 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.303 -8.250 -8.039 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.160 -7.574 -7.230 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.126 -6.618 -5.729 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.747 -5.894 -7.231 1.00 0.00 H new ATOM 1066 N ALA A 67 7.351 -6.717 -3.154 1.00 0.00 N ATOM 1067 CA ALA A 67 6.764 -6.471 -1.842 1.00 0.00 C ATOM 1068 C ALA A 67 7.161 -5.089 -1.337 1.00 0.00 C ATOM 1069 O ALA A 67 6.336 -4.344 -0.805 1.00 0.00 O ATOM 1070 CB ALA A 67 7.205 -7.542 -0.856 1.00 0.00 C ATOM 0 H ALA A 67 7.963 -7.532 -3.194 1.00 0.00 H new ATOM 0 HA ALA A 67 5.678 -6.510 -1.933 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.759 -7.345 0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.881 -8.520 -1.212 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.291 -7.530 -0.767 1.00 0.00 H new ATOM 1076 N SER A 68 8.422 -4.741 -1.546 1.00 0.00 N ATOM 1077 CA SER A 68 8.938 -3.445 -1.133 1.00 0.00 C ATOM 1078 C SER A 68 8.315 -2.329 -1.969 1.00 0.00 C ATOM 1079 O SER A 68 7.914 -1.293 -1.437 1.00 0.00 O ATOM 1080 CB SER A 68 10.460 -3.420 -1.265 1.00 0.00 C ATOM 1081 OG SER A 68 11.054 -4.471 -0.522 1.00 0.00 O ATOM 0 H SER A 68 9.109 -5.341 -2.001 1.00 0.00 H new ATOM 0 HA SER A 68 8.672 -3.281 -0.089 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.739 -3.510 -2.315 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.843 -2.461 -0.915 1.00 0.00 H new ATOM 0 HG SER A 68 10.458 -4.731 0.211 1.00 0.00 H new ATOM 1087 N ARG A 69 8.219 -2.558 -3.274 1.00 0.00 N ATOM 1088 CA ARG A 69 7.666 -1.576 -4.190 1.00 0.00 C ATOM 1089 C ARG A 69 6.179 -1.360 -3.930 1.00 0.00 C ATOM 1090 O ARG A 69 5.690 -0.229 -3.959 1.00 0.00 O ATOM 1091 CB ARG A 69 7.894 -2.028 -5.631 1.00 0.00 C ATOM 1092 CG ARG A 69 9.359 -2.239 -5.977 1.00 0.00 C ATOM 1093 CD ARG A 69 9.613 -2.080 -7.466 1.00 0.00 C ATOM 1094 NE ARG A 69 9.550 -0.675 -7.868 1.00 0.00 N ATOM 1095 CZ ARG A 69 9.792 -0.231 -9.097 1.00 0.00 C ATOM 1096 NH1 ARG A 69 10.041 -1.080 -10.087 1.00 0.00 N ATOM 1097 NH2 ARG A 69 9.777 1.074 -9.339 1.00 0.00 N ATOM 0 H ARG A 69 8.521 -3.424 -3.721 1.00 0.00 H new ATOM 0 HA ARG A 69 8.175 -0.626 -4.027 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.351 -2.958 -5.802 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.473 -1.284 -6.307 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.970 -1.524 -5.425 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.668 -3.235 -5.659 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.592 -2.489 -7.716 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.875 -2.654 -8.026 1.00 0.00 H new ATOM 0 HE ARG A 69 9.303 0.012 -7.155 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.048 -2.084 -9.908 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.225 -0.728 -11.026 1.00 0.00 H new ATOM 0 HH21 ARG A 69 9.580 1.731 -8.584 1.00 0.00 H new ATOM 0 HH22 ARG A 69 9.962 1.420 -10.280 1.00 0.00 H new ATOM 1111 N LEU A 70 5.466 -2.447 -3.671 1.00 0.00 N ATOM 1112 CA LEU A 70 4.047 -2.379 -3.354 1.00 0.00 C ATOM 1113 C LEU A 70 3.837 -1.599 -2.065 1.00 0.00 C ATOM 1114 O LEU A 70 2.957 -0.742 -1.983 1.00 0.00 O ATOM 1115 CB LEU A 70 3.468 -3.791 -3.218 1.00 0.00 C ATOM 1116 CG LEU A 70 1.986 -3.861 -2.845 1.00 0.00 C ATOM 1117 CD1 LEU A 70 1.128 -3.214 -3.924 1.00 0.00 C ATOM 1118 CD2 LEU A 70 1.565 -5.305 -2.628 1.00 0.00 C ATOM 0 H LEU A 70 5.850 -3.392 -3.674 1.00 0.00 H new ATOM 0 HA LEU A 70 3.529 -1.865 -4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.613 -4.317 -4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.041 -4.329 -2.463 1.00 0.00 H new ATOM 0 HG LEU A 70 1.839 -3.311 -1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.078 -3.275 -3.639 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.413 -2.168 -4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.278 -3.735 -4.869 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.508 -5.340 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.729 -5.873 -3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.156 -5.739 -1.821 1.00 0.00 H new ATOM 1130 N ARG A 71 4.678 -1.887 -1.074 1.00 0.00 N ATOM 1131 CA ARG A 71 4.601 -1.241 0.232 1.00 0.00 C ATOM 1132 C ARG A 71 4.759 0.272 0.108 1.00 0.00 C ATOM 1133 O ARG A 71 4.085 1.035 0.801 1.00 0.00 O ATOM 1134 CB ARG A 71 5.680 -1.803 1.155 1.00 0.00 C ATOM 1135 CG ARG A 71 5.660 -1.210 2.551 1.00 0.00 C ATOM 1136 CD ARG A 71 6.802 -1.742 3.396 1.00 0.00 C ATOM 1137 NE ARG A 71 8.107 -1.496 2.778 1.00 0.00 N ATOM 1138 CZ ARG A 71 8.997 -0.623 3.246 1.00 0.00 C ATOM 1139 NH1 ARG A 71 8.701 0.130 4.296 1.00 0.00 N ATOM 1140 NH2 ARG A 71 10.174 -0.493 2.644 1.00 0.00 N ATOM 0 H ARG A 71 5.429 -2.572 -1.154 1.00 0.00 H new ATOM 0 HA ARG A 71 3.618 -1.447 0.656 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.557 -2.884 1.227 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.658 -1.623 0.708 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.728 -0.124 2.487 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.710 -1.442 3.033 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.773 -1.273 4.380 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.670 -2.813 3.549 1.00 0.00 H new ATOM 0 HE ARG A 71 8.348 -2.025 1.940 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.790 0.041 4.747 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.384 0.798 4.653 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.394 -1.061 1.826 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.858 0.175 3.000 1.00 0.00 H new ATOM 1154 N GLY A 72 5.647 0.692 -0.781 1.00 0.00 N ATOM 1155 CA GLY A 72 5.869 2.111 -1.001 1.00 0.00 C ATOM 1156 C GLY A 72 4.615 2.815 -1.488 1.00 0.00 C ATOM 1157 O GLY A 72 4.317 3.936 -1.069 1.00 0.00 O ATOM 0 H GLY A 72 6.221 0.076 -1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.207 2.573 -0.073 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.666 2.244 -1.732 1.00 0.00 H new ATOM 1161 N ARG A 73 3.872 2.151 -2.365 1.00 0.00 N ATOM 1162 CA ARG A 73 2.626 2.706 -2.872 1.00 0.00 C ATOM 1163 C ARG A 73 1.560 2.693 -1.782 1.00 0.00 C ATOM 1164 O ARG A 73 0.760 3.623 -1.670 1.00 0.00 O ATOM 1165 CB ARG A 73 2.136 1.929 -4.095 1.00 0.00 C ATOM 1166 CG ARG A 73 3.132 1.900 -5.244 1.00 0.00 C ATOM 1167 CD ARG A 73 2.507 1.336 -6.511 1.00 0.00 C ATOM 1168 NE ARG A 73 1.917 0.018 -6.299 1.00 0.00 N ATOM 1169 CZ ARG A 73 1.342 -0.701 -7.261 1.00 0.00 C ATOM 1170 NH1 ARG A 73 1.302 -0.244 -8.510 1.00 0.00 N ATOM 1171 NH2 ARG A 73 0.807 -1.879 -6.978 1.00 0.00 N ATOM 0 H ARG A 73 4.110 1.232 -2.738 1.00 0.00 H new ATOM 0 HA ARG A 73 2.813 3.736 -3.175 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.910 0.905 -3.797 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.204 2.372 -4.446 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.497 2.909 -5.436 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.995 1.296 -4.963 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.740 2.021 -6.871 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.267 1.270 -7.290 1.00 0.00 H new ATOM 0 HE ARG A 73 1.947 -0.376 -5.358 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.713 0.662 -8.735 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.860 -0.800 -9.242 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.835 -2.236 -6.023 1.00 0.00 H new ATOM 0 HH22 ARG A 73 0.367 -2.429 -7.715 1.00 0.00 H new ATOM 1185 N ILE A 74 1.562 1.637 -0.975 1.00 0.00 N ATOM 1186 CA ILE A 74 0.644 1.530 0.155 1.00 0.00 C ATOM 1187 C ILE A 74 0.877 2.681 1.132 1.00 0.00 C ATOM 1188 O ILE A 74 -0.075 3.273 1.649 1.00 0.00 O ATOM 1189 CB ILE A 74 0.805 0.178 0.894 1.00 0.00 C ATOM 1190 CG1 ILE A 74 0.499 -0.987 -0.053 1.00 0.00 C ATOM 1191 CG2 ILE A 74 -0.100 0.122 2.116 1.00 0.00 C ATOM 1192 CD1 ILE A 74 0.692 -2.354 0.573 1.00 0.00 C ATOM 0 H ILE A 74 2.191 0.841 -1.082 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.371 1.583 -0.238 1.00 0.00 H new ATOM 0 HB ILE A 74 1.838 0.091 1.230 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.530 -0.899 -0.400 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.140 -0.907 -0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.029 -0.836 2.620 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.161 0.930 2.799 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.139 0.231 1.805 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.456 -3.126 -0.159 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.728 -2.464 0.895 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.031 -2.456 1.434 1.00 0.00 H new ATOM 1204 N GLU A 75 2.150 3.009 1.357 1.00 0.00 N ATOM 1205 CA GLU A 75 2.515 4.133 2.212 1.00 0.00 C ATOM 1206 C GLU A 75 1.863 5.407 1.696 1.00 0.00 C ATOM 1207 O GLU A 75 1.302 6.174 2.464 1.00 0.00 O ATOM 1208 CB GLU A 75 4.033 4.323 2.261 1.00 0.00 C ATOM 1209 CG GLU A 75 4.488 5.156 3.447 1.00 0.00 C ATOM 1210 CD GLU A 75 5.784 5.894 3.202 1.00 0.00 C ATOM 1211 OE1 GLU A 75 6.803 5.242 2.904 1.00 0.00 O ATOM 1212 OE2 GLU A 75 5.786 7.141 3.326 1.00 0.00 O ATOM 0 H GLU A 75 2.945 2.510 0.957 1.00 0.00 H new ATOM 0 HA GLU A 75 2.162 3.917 3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.515 3.346 2.304 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.364 4.802 1.339 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.709 5.877 3.695 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.607 4.506 4.314 1.00 0.00 H new ATOM 1219 N SER A 76 1.919 5.603 0.384 1.00 0.00 N ATOM 1220 CA SER A 76 1.344 6.789 -0.243 1.00 0.00 C ATOM 1221 C SER A 76 -0.174 6.848 -0.047 1.00 0.00 C ATOM 1222 O SER A 76 -0.739 7.918 0.199 1.00 0.00 O ATOM 1223 CB SER A 76 1.686 6.812 -1.731 1.00 0.00 C ATOM 1224 OG SER A 76 3.091 6.815 -1.932 1.00 0.00 O ATOM 0 H SER A 76 2.358 4.954 -0.269 1.00 0.00 H new ATOM 0 HA SER A 76 1.775 7.666 0.239 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.247 5.943 -2.222 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.247 7.696 -2.195 1.00 0.00 H new ATOM 0 HG SER A 76 3.461 5.946 -1.670 1.00 0.00 H new ATOM 1230 N VAL A 77 -0.831 5.698 -0.147 1.00 0.00 N ATOM 1231 CA VAL A 77 -2.279 5.629 0.019 1.00 0.00 C ATOM 1232 C VAL A 77 -2.674 5.935 1.464 1.00 0.00 C ATOM 1233 O VAL A 77 -3.553 6.758 1.719 1.00 0.00 O ATOM 1234 CB VAL A 77 -2.834 4.244 -0.382 1.00 0.00 C ATOM 1235 CG1 VAL A 77 -4.347 4.191 -0.206 1.00 0.00 C ATOM 1236 CG2 VAL A 77 -2.453 3.907 -1.815 1.00 0.00 C ATOM 0 H VAL A 77 -0.385 4.802 -0.342 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.712 6.379 -0.642 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.389 3.500 0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.713 3.206 -0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.599 4.380 0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.813 4.950 -0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.854 2.928 -2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.865 4.660 -2.488 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.367 3.892 -1.909 1.00 0.00 H new ATOM 1246 N LEU A 78 -2.010 5.272 2.404 1.00 0.00 N ATOM 1247 CA LEU A 78 -2.289 5.472 3.821 1.00 0.00 C ATOM 1248 C LEU A 78 -1.876 6.875 4.268 1.00 0.00 C ATOM 1249 O LEU A 78 -2.493 7.459 5.160 1.00 0.00 O ATOM 1250 CB LEU A 78 -1.570 4.421 4.666 1.00 0.00 C ATOM 1251 CG LEU A 78 -2.008 2.973 4.432 1.00 0.00 C ATOM 1252 CD1 LEU A 78 -1.208 2.028 5.315 1.00 0.00 C ATOM 1253 CD2 LEU A 78 -3.499 2.813 4.695 1.00 0.00 C ATOM 0 H LEU A 78 -1.275 4.592 2.211 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.364 5.365 3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.500 4.494 4.472 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.720 4.662 5.718 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.816 2.721 3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.531 1.002 5.137 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.148 2.120 5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.371 2.283 6.362 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.790 1.777 4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.717 3.084 5.728 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.059 3.463 4.023 1.00 0.00 H new ATOM 1265 N ASP A 79 -0.830 7.403 3.644 1.00 0.00 N ATOM 1266 CA ASP A 79 -0.370 8.764 3.911 1.00 0.00 C ATOM 1267 C ASP A 79 -1.479 9.753 3.579 1.00 0.00 C ATOM 1268 O ASP A 79 -1.815 10.628 4.378 1.00 0.00 O ATOM 1269 CB ASP A 79 0.868 9.060 3.062 1.00 0.00 C ATOM 1270 CG ASP A 79 1.532 10.378 3.396 1.00 0.00 C ATOM 1271 OD1 ASP A 79 2.342 10.412 4.343 1.00 0.00 O ATOM 1272 OD2 ASP A 79 1.286 11.374 2.687 1.00 0.00 O ATOM 0 H ASP A 79 -0.279 6.906 2.944 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.112 8.862 4.965 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.591 8.255 3.196 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.584 9.062 2.010 1.00 0.00 H new ATOM 1277 N TRP A 80 -2.068 9.565 2.404 1.00 0.00 N ATOM 1278 CA TRP A 80 -3.197 10.366 1.952 1.00 0.00 C ATOM 1279 C TRP A 80 -4.379 10.199 2.903 1.00 0.00 C ATOM 1280 O TRP A 80 -5.024 11.177 3.286 1.00 0.00 O ATOM 1281 CB TRP A 80 -3.572 9.937 0.529 1.00 0.00 C ATOM 1282 CG TRP A 80 -4.793 10.601 -0.033 1.00 0.00 C ATOM 1283 CD1 TRP A 80 -4.892 11.876 -0.513 1.00 0.00 C ATOM 1284 CD2 TRP A 80 -6.084 10.004 -0.201 1.00 0.00 C ATOM 1285 NE1 TRP A 80 -6.173 12.111 -0.959 1.00 0.00 N ATOM 1286 CE2 TRP A 80 -6.923 10.976 -0.779 1.00 0.00 C ATOM 1287 CE3 TRP A 80 -6.613 8.744 0.085 1.00 0.00 C ATOM 1288 CZ2 TRP A 80 -8.260 10.723 -1.074 1.00 0.00 C ATOM 1289 CZ3 TRP A 80 -7.940 8.494 -0.209 1.00 0.00 C ATOM 1290 CH2 TRP A 80 -8.750 9.480 -0.785 1.00 0.00 C ATOM 0 H TRP A 80 -1.775 8.851 1.737 1.00 0.00 H new ATOM 0 HA TRP A 80 -2.923 11.421 1.946 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -2.729 10.143 -0.130 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -3.727 8.858 0.520 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -4.085 12.593 -0.539 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.510 12.987 -1.359 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -5.995 7.977 0.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.888 11.482 -1.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.359 7.523 0.009 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.783 9.254 -1.005 1.00 0.00 H new ATOM 1301 N ALA A 81 -4.642 8.956 3.301 1.00 0.00 N ATOM 1302 CA ALA A 81 -5.729 8.651 4.226 1.00 0.00 C ATOM 1303 C ALA A 81 -5.533 9.361 5.565 1.00 0.00 C ATOM 1304 O ALA A 81 -6.496 9.810 6.187 1.00 0.00 O ATOM 1305 CB ALA A 81 -5.843 7.148 4.440 1.00 0.00 C ATOM 0 H ALA A 81 -4.113 8.140 2.994 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.655 9.015 3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.659 6.940 5.132 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.043 6.659 3.487 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.909 6.768 4.854 1.00 0.00 H new ATOM 1311 N THR A 82 -4.283 9.466 5.998 1.00 0.00 N ATOM 1312 CA THR A 82 -3.958 10.128 7.256 1.00 0.00 C ATOM 1313 C THR A 82 -4.272 11.623 7.181 1.00 0.00 C ATOM 1314 O THR A 82 -4.866 12.193 8.101 1.00 0.00 O ATOM 1315 CB THR A 82 -2.473 9.924 7.624 1.00 0.00 C ATOM 1316 OG1 THR A 82 -2.162 8.524 7.642 1.00 0.00 O ATOM 1317 CG2 THR A 82 -2.149 10.532 8.983 1.00 0.00 C ATOM 0 H THR A 82 -3.475 9.100 5.495 1.00 0.00 H new ATOM 0 HA THR A 82 -4.574 9.676 8.033 1.00 0.00 H new ATOM 0 HB THR A 82 -1.869 10.428 6.869 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.161 8.177 6.725 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.096 10.371 9.212 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.356 11.602 8.962 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.763 10.059 9.749 1.00 0.00 H new ATOM 1325 N VAL A 83 -3.893 12.246 6.071 1.00 0.00 N ATOM 1326 CA VAL A 83 -4.158 13.667 5.861 1.00 0.00 C ATOM 1327 C VAL A 83 -5.655 13.916 5.682 1.00 0.00 C ATOM 1328 O VAL A 83 -6.189 14.925 6.141 1.00 0.00 O ATOM 1329 CB VAL A 83 -3.399 14.203 4.625 1.00 0.00 C ATOM 1330 CG1 VAL A 83 -3.624 15.700 4.444 1.00 0.00 C ATOM 1331 CG2 VAL A 83 -1.911 13.903 4.739 1.00 0.00 C ATOM 0 H VAL A 83 -3.401 11.791 5.302 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.806 14.197 6.746 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.794 13.693 3.746 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.077 16.047 3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.688 15.894 4.309 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.268 16.231 5.327 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.394 14.288 3.860 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.511 14.381 5.633 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.761 12.825 4.805 1.00 0.00 H new ATOM 1341 N ARG A 84 -6.323 12.983 5.015 1.00 0.00 N ATOM 1342 CA ARG A 84 -7.760 13.070 4.789 1.00 0.00 C ATOM 1343 C ARG A 84 -8.547 12.880 6.082 1.00 0.00 C ATOM 1344 O ARG A 84 -9.676 13.352 6.204 1.00 0.00 O ATOM 1345 CB ARG A 84 -8.188 12.024 3.763 1.00 0.00 C ATOM 1346 CG ARG A 84 -7.804 12.375 2.337 1.00 0.00 C ATOM 1347 CD ARG A 84 -8.608 13.557 1.824 1.00 0.00 C ATOM 1348 NE ARG A 84 -10.039 13.257 1.773 1.00 0.00 N ATOM 1349 CZ ARG A 84 -10.998 14.143 2.035 1.00 0.00 C ATOM 1350 NH1 ARG A 84 -10.683 15.382 2.394 1.00 0.00 N ATOM 1351 NH2 ARG A 84 -12.271 13.784 1.942 1.00 0.00 N ATOM 0 H ARG A 84 -5.888 12.150 4.618 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.978 14.068 4.410 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.739 11.066 4.025 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.269 11.895 3.818 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.740 12.609 2.292 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.969 11.513 1.691 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.440 14.419 2.469 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.258 13.831 0.829 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.320 12.309 1.521 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.704 15.658 2.470 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.420 16.058 2.594 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.514 12.831 1.670 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.008 14.461 2.142 1.00 0.00 H new ATOM 1365 N GLY A 85 -7.952 12.192 7.044 1.00 0.00 N ATOM 1366 CA GLY A 85 -8.622 11.970 8.308 1.00 0.00 C ATOM 1367 C GLY A 85 -9.349 10.642 8.353 1.00 0.00 C ATOM 1368 O GLY A 85 -10.326 10.486 9.088 1.00 0.00 O ATOM 0 H GLY A 85 -7.020 11.784 6.973 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.890 12.008 9.115 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.334 12.776 8.485 1.00 0.00 H new ATOM 1372 N TYR A 86 -8.877 9.684 7.567 1.00 0.00 N ATOM 1373 CA TYR A 86 -9.456 8.346 7.566 1.00 0.00 C ATOM 1374 C TYR A 86 -8.776 7.492 8.629 1.00 0.00 C ATOM 1375 O TYR A 86 -9.172 6.357 8.885 1.00 0.00 O ATOM 1376 CB TYR A 86 -9.308 7.682 6.193 1.00 0.00 C ATOM 1377 CG TYR A 86 -9.876 8.488 5.042 1.00 0.00 C ATOM 1378 CD1 TYR A 86 -10.972 9.326 5.217 1.00 0.00 C ATOM 1379 CD2 TYR A 86 -9.309 8.407 3.775 1.00 0.00 C ATOM 1380 CE1 TYR A 86 -11.484 10.060 4.165 1.00 0.00 C ATOM 1381 CE2 TYR A 86 -9.817 9.138 2.717 1.00 0.00 C ATOM 1382 CZ TYR A 86 -10.903 9.964 2.917 1.00 0.00 C ATOM 1383 OH TYR A 86 -11.407 10.700 1.868 1.00 0.00 O ATOM 0 H TYR A 86 -8.096 9.807 6.923 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.519 8.432 7.790 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.250 7.498 6.004 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -9.801 6.710 6.218 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.430 9.404 6.192 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.458 7.762 3.615 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -12.335 10.706 4.318 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -9.366 9.062 1.739 1.00 0.00 H new ATOM 0 HH TYR A 86 -12.369 10.836 1.996 1.00 0.00 H new ATOM 1393 N ARG A 87 -7.742 8.058 9.234 1.00 0.00 N ATOM 1394 CA ARG A 87 -7.004 7.397 10.298 1.00 0.00 C ATOM 1395 C ARG A 87 -6.207 8.415 11.094 1.00 0.00 C ATOM 1396 O ARG A 87 -6.047 9.561 10.669 1.00 0.00 O ATOM 1397 CB ARG A 87 -6.057 6.332 9.742 1.00 0.00 C ATOM 1398 CG ARG A 87 -5.066 6.864 8.720 1.00 0.00 C ATOM 1399 CD ARG A 87 -3.955 5.863 8.464 1.00 0.00 C ATOM 1400 NE ARG A 87 -4.483 4.514 8.288 1.00 0.00 N ATOM 1401 CZ ARG A 87 -4.057 3.455 8.974 1.00 0.00 C ATOM 1402 NH1 ARG A 87 -3.044 3.567 9.832 1.00 0.00 N ATOM 1403 NH2 ARG A 87 -4.653 2.286 8.805 1.00 0.00 N ATOM 0 H ARG A 87 -7.392 8.987 9.001 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.729 6.908 10.949 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.506 5.882 10.568 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.647 5.539 9.283 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.584 7.083 7.786 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.640 7.802 9.076 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.397 6.156 7.574 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.253 5.875 9.298 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.222 4.374 7.599 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.588 4.469 9.968 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.724 2.751 10.353 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.433 2.201 8.153 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.333 1.470 9.327 1.00 0.00 H new ATOM 1417 N GLU A 88 -5.711 7.989 12.242 1.00 0.00 N ATOM 1418 CA GLU A 88 -4.902 8.838 13.093 1.00 0.00 C ATOM 1419 C GLU A 88 -3.678 8.069 13.579 1.00 0.00 C ATOM 1420 O GLU A 88 -3.592 6.852 13.401 1.00 0.00 O ATOM 1421 CB GLU A 88 -5.724 9.366 14.283 1.00 0.00 C ATOM 1422 CG GLU A 88 -6.280 8.291 15.219 1.00 0.00 C ATOM 1423 CD GLU A 88 -7.326 7.403 14.570 1.00 0.00 C ATOM 1424 OE1 GLU A 88 -8.488 7.844 14.428 1.00 0.00 O ATOM 1425 OE2 GLU A 88 -6.991 6.260 14.201 1.00 0.00 O ATOM 0 H GLU A 88 -5.858 7.048 12.608 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.569 9.698 12.513 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.098 10.043 14.864 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.556 9.954 13.897 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.458 7.670 15.574 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.717 8.773 16.094 1.00 0.00 H new ATOM 1432 N GLY A 89 -2.736 8.775 14.182 1.00 0.00 N ATOM 1433 CA GLY A 89 -1.529 8.140 14.667 1.00 0.00 C ATOM 1434 C GLY A 89 -0.365 8.283 13.705 1.00 0.00 C ATOM 1435 O GLY A 89 0.007 9.398 13.329 1.00 0.00 O ATOM 0 H GLY A 89 -2.786 9.781 14.345 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.256 8.575 15.628 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.724 7.082 14.840 1.00 0.00 H new ATOM 1439 N ASP A 90 0.200 7.153 13.303 1.00 0.00 N ATOM 1440 CA ASP A 90 1.353 7.137 12.409 1.00 0.00 C ATOM 1441 C ASP A 90 1.046 6.257 11.199 1.00 0.00 C ATOM 1442 O ASP A 90 0.021 5.570 11.175 1.00 0.00 O ATOM 1443 CB ASP A 90 2.592 6.621 13.162 1.00 0.00 C ATOM 1444 CG ASP A 90 3.885 6.767 12.376 1.00 0.00 C ATOM 1445 OD1 ASP A 90 4.308 7.913 12.125 1.00 0.00 O ATOM 1446 OD2 ASP A 90 4.496 5.734 12.027 1.00 0.00 O ATOM 0 H ASP A 90 -0.124 6.227 13.584 1.00 0.00 H new ATOM 0 HA ASP A 90 1.562 8.149 12.061 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.686 7.162 14.104 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.444 5.570 13.411 1.00 0.00 H new ATOM 1451 N ASN A 91 1.915 6.288 10.193 1.00 0.00 N ATOM 1452 CA ASN A 91 1.717 5.501 8.976 1.00 0.00 C ATOM 1453 C ASN A 91 2.583 4.243 8.985 1.00 0.00 C ATOM 1454 O ASN A 91 3.742 4.268 8.565 1.00 0.00 O ATOM 1455 CB ASN A 91 1.974 6.318 7.707 1.00 0.00 C ATOM 1456 CG ASN A 91 1.531 5.556 6.472 1.00 0.00 C ATOM 1457 OD1 ASN A 91 0.701 4.656 6.559 1.00 0.00 O ATOM 1458 ND2 ASN A 91 2.059 5.914 5.315 1.00 0.00 N ATOM 0 H ASN A 91 2.766 6.851 10.195 1.00 0.00 H new ATOM 0 HA ASN A 91 0.669 5.202 8.965 1.00 0.00 H new ATOM 0 HB2 ASN A 91 1.439 7.266 7.766 1.00 0.00 H new ATOM 0 HB3 ASN A 91 3.035 6.555 7.631 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.779 5.438 4.458 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.747 6.667 5.279 1.00 0.00 H new ATOM 1465 N PRO A 92 2.020 3.128 9.490 1.00 0.00 N ATOM 1466 CA PRO A 92 2.752 1.867 9.751 1.00 0.00 C ATOM 1467 C PRO A 92 3.363 1.210 8.505 1.00 0.00 C ATOM 1468 O PRO A 92 3.905 0.110 8.588 1.00 0.00 O ATOM 1469 CB PRO A 92 1.665 0.947 10.324 1.00 0.00 C ATOM 1470 CG PRO A 92 0.388 1.510 9.816 1.00 0.00 C ATOM 1471 CD PRO A 92 0.588 2.992 9.800 1.00 0.00 C ATOM 0 HA PRO A 92 3.605 2.054 10.403 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.803 -0.083 9.994 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.688 0.938 11.414 1.00 0.00 H new ATOM 0 HG2 PRO A 92 0.161 1.133 8.819 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.447 1.233 10.459 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -0.036 3.476 9.048 1.00 0.00 H new ATOM 0 HD3 PRO A 92 0.338 3.444 10.760 1.00 0.00 H new ATOM 1479 N ALA A 93 3.274 1.870 7.358 1.00 0.00 N ATOM 1480 CA ALA A 93 3.738 1.288 6.108 1.00 0.00 C ATOM 1481 C ALA A 93 5.202 1.619 5.820 1.00 0.00 C ATOM 1482 O ALA A 93 5.870 0.890 5.086 1.00 0.00 O ATOM 1483 CB ALA A 93 2.860 1.758 4.960 1.00 0.00 C ATOM 0 H ALA A 93 2.885 2.809 7.268 1.00 0.00 H new ATOM 0 HA ALA A 93 3.666 0.205 6.207 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.214 1.318 4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.830 1.449 5.139 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.905 2.845 4.889 1.00 0.00 H new ATOM 1489 N ARG A 94 5.710 2.704 6.395 1.00 0.00 N ATOM 1490 CA ARG A 94 7.062 3.155 6.069 1.00 0.00 C ATOM 1491 C ARG A 94 8.144 2.408 6.851 1.00 0.00 C ATOM 1492 O ARG A 94 9.123 1.957 6.252 1.00 0.00 O ATOM 1493 CB ARG A 94 7.214 4.666 6.263 1.00 0.00 C ATOM 1494 CG ARG A 94 6.610 5.215 7.545 1.00 0.00 C ATOM 1495 CD ARG A 94 6.848 6.711 7.662 1.00 0.00 C ATOM 1496 NE ARG A 94 6.605 7.393 6.391 1.00 0.00 N ATOM 1497 CZ ARG A 94 6.830 8.685 6.172 1.00 0.00 C ATOM 1498 NH1 ARG A 94 7.233 9.471 7.161 1.00 0.00 N ATOM 1499 NH2 ARG A 94 6.645 9.188 4.958 1.00 0.00 N ATOM 0 H ARG A 94 5.218 3.280 7.078 1.00 0.00 H new ATOM 0 HA ARG A 94 7.207 2.922 5.014 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.275 4.914 6.244 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.753 5.174 5.416 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.539 5.011 7.563 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.046 4.705 8.404 1.00 0.00 H new ATOM 0 HD2 ARG A 94 6.194 7.126 8.429 1.00 0.00 H new ATOM 0 HD3 ARG A 94 7.873 6.893 7.984 1.00 0.00 H new ATOM 0 HE ARG A 94 6.237 6.838 5.618 1.00 0.00 H new ATOM 0 HH11 ARG A 94 7.372 9.085 8.095 1.00 0.00 H new ATOM 0 HH12 ARG A 94 7.404 10.461 6.988 1.00 0.00 H new ATOM 0 HH21 ARG A 94 6.332 8.584 4.198 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.816 10.179 4.785 1.00 0.00 H new ATOM 1513 N TRP A 95 7.972 2.287 8.172 1.00 0.00 N ATOM 1514 CA TRP A 95 8.943 1.594 9.034 1.00 0.00 C ATOM 1515 C TRP A 95 10.278 2.334 9.131 1.00 0.00 C ATOM 1516 O TRP A 95 10.748 2.943 8.171 1.00 0.00 O ATOM 1517 CB TRP A 95 9.189 0.163 8.548 1.00 0.00 C ATOM 1518 CG TRP A 95 8.212 -0.822 9.102 1.00 0.00 C ATOM 1519 CD1 TRP A 95 8.144 -1.252 10.392 1.00 0.00 C ATOM 1520 CD2 TRP A 95 7.168 -1.500 8.394 1.00 0.00 C ATOM 1521 NE1 TRP A 95 7.133 -2.167 10.531 1.00 0.00 N ATOM 1522 CE2 TRP A 95 6.515 -2.336 9.318 1.00 0.00 C ATOM 1523 CE3 TRP A 95 6.724 -1.487 7.071 1.00 0.00 C ATOM 1524 CZ2 TRP A 95 5.443 -3.147 8.962 1.00 0.00 C ATOM 1525 CZ3 TRP A 95 5.658 -2.294 6.719 1.00 0.00 C ATOM 1526 CH2 TRP A 95 5.027 -3.113 7.660 1.00 0.00 C ATOM 0 H TRP A 95 7.166 2.661 8.672 1.00 0.00 H new ATOM 0 HA TRP A 95 8.500 1.570 10.030 1.00 0.00 H new ATOM 0 HB2 TRP A 95 9.139 0.142 7.459 1.00 0.00 H new ATOM 0 HB3 TRP A 95 10.198 -0.140 8.826 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.792 -0.920 11.190 1.00 0.00 H new ATOM 0 HE1 TRP A 95 6.881 -2.645 11.396 1.00 0.00 H new ATOM 0 HE3 TRP A 95 7.204 -0.858 6.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.956 -3.781 9.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 5.306 -2.292 5.698 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.196 -3.730 7.353 1.00 0.00 H new ATOM 1537 N ARG A 96 10.883 2.277 10.306 1.00 0.00 N ATOM 1538 CA ARG A 96 12.212 2.830 10.509 1.00 0.00 C ATOM 1539 C ARG A 96 13.262 1.782 10.148 1.00 0.00 C ATOM 1540 O ARG A 96 14.362 2.099 9.690 1.00 0.00 O ATOM 1541 CB ARG A 96 12.370 3.261 11.966 1.00 0.00 C ATOM 1542 CG ARG A 96 13.620 4.077 12.235 1.00 0.00 C ATOM 1543 CD ARG A 96 13.713 4.468 13.699 1.00 0.00 C ATOM 1544 NE ARG A 96 14.786 5.430 13.946 1.00 0.00 N ATOM 1545 CZ ARG A 96 14.877 6.174 15.045 1.00 0.00 C ATOM 1546 NH1 ARG A 96 14.000 6.023 16.031 1.00 0.00 N ATOM 1547 NH2 ARG A 96 15.859 7.057 15.165 1.00 0.00 N ATOM 0 H ARG A 96 10.473 1.851 11.137 1.00 0.00 H new ATOM 0 HA ARG A 96 12.349 3.701 9.868 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.497 3.845 12.258 1.00 0.00 H new ATOM 0 HB3 ARG A 96 12.385 2.373 12.598 1.00 0.00 H new ATOM 0 HG2 ARG A 96 14.501 3.501 11.952 1.00 0.00 H new ATOM 0 HG3 ARG A 96 13.613 4.974 11.616 1.00 0.00 H new ATOM 0 HD2 ARG A 96 12.763 4.895 14.020 1.00 0.00 H new ATOM 0 HD3 ARG A 96 13.881 3.576 14.302 1.00 0.00 H new ATOM 0 HE ARG A 96 15.508 5.537 13.233 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.252 5.334 15.948 1.00 0.00 H new ATOM 0 HH12 ARG A 96 14.074 6.596 16.872 1.00 0.00 H new ATOM 0 HH21 ARG A 96 16.542 7.165 14.416 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.931 7.629 16.007 1.00 0.00 H new ATOM 1561 N GLY A 97 12.890 0.530 10.353 1.00 0.00 N ATOM 1562 CA GLY A 97 13.754 -0.588 10.026 1.00 0.00 C ATOM 1563 C GLY A 97 12.973 -1.882 9.939 1.00 0.00 C ATOM 1564 O GLY A 97 12.758 -2.547 10.952 1.00 0.00 O ATOM 0 H GLY A 97 11.988 0.263 10.747 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.254 -0.398 9.076 1.00 0.00 H new ATOM 0 HA3 GLY A 97 14.533 -0.681 10.783 1.00 0.00 H new ATOM 1568 N TYR A 98 12.553 -2.235 8.728 1.00 0.00 N ATOM 1569 CA TYR A 98 11.684 -3.392 8.512 1.00 0.00 C ATOM 1570 C TYR A 98 12.355 -4.678 8.999 1.00 0.00 C ATOM 1571 O TYR A 98 11.865 -5.335 9.917 1.00 0.00 O ATOM 1572 CB TYR A 98 11.335 -3.511 7.021 1.00 0.00 C ATOM 1573 CG TYR A 98 10.173 -4.443 6.711 1.00 0.00 C ATOM 1574 CD1 TYR A 98 10.248 -5.806 6.977 1.00 0.00 C ATOM 1575 CD2 TYR A 98 9.001 -3.955 6.149 1.00 0.00 C ATOM 1576 CE1 TYR A 98 9.193 -6.652 6.693 1.00 0.00 C ATOM 1577 CE2 TYR A 98 7.941 -4.796 5.861 1.00 0.00 C ATOM 1578 CZ TYR A 98 8.042 -6.143 6.134 1.00 0.00 C ATOM 1579 OH TYR A 98 6.991 -6.988 5.844 1.00 0.00 O ATOM 0 H TYR A 98 12.801 -1.734 7.875 1.00 0.00 H new ATOM 0 HA TYR A 98 10.769 -3.247 9.086 1.00 0.00 H new ATOM 0 HB2 TYR A 98 11.099 -2.519 6.637 1.00 0.00 H new ATOM 0 HB3 TYR A 98 12.216 -3.860 6.483 1.00 0.00 H new ATOM 0 HD1 TYR A 98 11.149 -6.211 7.414 1.00 0.00 H new ATOM 0 HD2 TYR A 98 8.915 -2.900 5.933 1.00 0.00 H new ATOM 0 HE1 TYR A 98 9.271 -7.707 6.908 1.00 0.00 H new ATOM 0 HE2 TYR A 98 7.037 -4.398 5.424 1.00 0.00 H new ATOM 0 HH TYR A 98 6.146 -6.496 5.917 1.00 0.00 H new ATOM 1589 N LEU A 99 13.471 -5.035 8.377 1.00 0.00 N ATOM 1590 CA LEU A 99 14.181 -6.255 8.727 1.00 0.00 C ATOM 1591 C LEU A 99 15.511 -5.940 9.395 1.00 0.00 C ATOM 1592 O LEU A 99 15.799 -6.414 10.495 1.00 0.00 O ATOM 1593 CB LEU A 99 14.428 -7.103 7.477 1.00 0.00 C ATOM 1594 CG LEU A 99 13.179 -7.696 6.817 1.00 0.00 C ATOM 1595 CD1 LEU A 99 13.551 -8.462 5.556 1.00 0.00 C ATOM 1596 CD2 LEU A 99 12.434 -8.603 7.790 1.00 0.00 C ATOM 0 H LEU A 99 13.903 -4.495 7.627 1.00 0.00 H new ATOM 0 HA LEU A 99 13.560 -6.813 9.428 1.00 0.00 H new ATOM 0 HB2 LEU A 99 14.948 -6.489 6.741 1.00 0.00 H new ATOM 0 HB3 LEU A 99 15.099 -7.920 7.742 1.00 0.00 H new ATOM 0 HG LEU A 99 12.519 -6.874 6.539 1.00 0.00 H new ATOM 0 HD11 LEU A 99 12.650 -8.875 5.102 1.00 0.00 H new ATOM 0 HD12 LEU A 99 14.036 -7.788 4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 99 14.234 -9.273 5.811 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.551 -9.013 7.301 1.00 0.00 H new ATOM 0 HD22 LEU A 99 13.088 -9.418 8.101 1.00 0.00 H new ATOM 0 HD23 LEU A 99 12.130 -8.027 8.664 1.00 0.00 H new ATOM 1608 N GLU A 100 16.311 -5.129 8.724 1.00 0.00 N ATOM 1609 CA GLU A 100 17.659 -4.832 9.173 1.00 0.00 C ATOM 1610 C GLU A 100 18.073 -3.449 8.681 1.00 0.00 C ATOM 1611 O GLU A 100 17.582 -2.984 7.651 1.00 0.00 O ATOM 1612 CB GLU A 100 18.605 -5.911 8.646 1.00 0.00 C ATOM 1613 CG GLU A 100 20.048 -5.764 9.092 1.00 0.00 C ATOM 1614 CD GLU A 100 20.869 -6.985 8.745 1.00 0.00 C ATOM 1615 OE1 GLU A 100 20.862 -7.399 7.567 1.00 0.00 O ATOM 1616 OE2 GLU A 100 21.525 -7.542 9.648 1.00 0.00 O ATOM 0 H GLU A 100 16.046 -4.661 7.858 1.00 0.00 H new ATOM 0 HA GLU A 100 17.702 -4.828 10.262 1.00 0.00 H new ATOM 0 HB2 GLU A 100 18.237 -6.885 8.967 1.00 0.00 H new ATOM 0 HB3 GLU A 100 18.573 -5.902 7.557 1.00 0.00 H new ATOM 0 HG2 GLU A 100 20.487 -4.885 8.620 1.00 0.00 H new ATOM 0 HG3 GLU A 100 20.081 -5.598 10.169 1.00 0.00 H new ATOM 1623 N HIS A 101 18.951 -2.787 9.420 1.00 0.00 N ATOM 1624 CA HIS A 101 19.347 -1.427 9.090 1.00 0.00 C ATOM 1625 C HIS A 101 20.866 -1.278 9.124 1.00 0.00 C ATOM 1626 O HIS A 101 21.434 -0.775 10.098 1.00 0.00 O ATOM 1627 CB HIS A 101 18.697 -0.440 10.069 1.00 0.00 C ATOM 1628 CG HIS A 101 18.775 0.998 9.648 1.00 0.00 C ATOM 1629 ND1 HIS A 101 19.776 1.855 10.057 1.00 0.00 N ATOM 1630 CD2 HIS A 101 17.943 1.737 8.877 1.00 0.00 C ATOM 1631 CE1 HIS A 101 19.553 3.057 9.558 1.00 0.00 C ATOM 1632 NE2 HIS A 101 18.448 3.014 8.838 1.00 0.00 N ATOM 0 H HIS A 101 19.402 -3.169 10.251 1.00 0.00 H new ATOM 0 HA HIS A 101 19.006 -1.205 8.079 1.00 0.00 H new ATOM 0 HB2 HIS A 101 17.649 -0.712 10.196 1.00 0.00 H new ATOM 0 HB3 HIS A 101 19.175 -0.547 11.043 1.00 0.00 H new ATOM 0 HD2 HIS A 101 17.048 1.387 8.384 1.00 0.00 H new ATOM 0 HE1 HIS A 101 20.171 3.929 9.713 1.00 0.00 H new ATOM 0 HE2 HIS A 101 18.036 3.800 8.335 1.00 0.00 H new ATOM 1641 N HIS A 102 21.526 -1.745 8.075 1.00 0.00 N ATOM 1642 CA HIS A 102 22.959 -1.534 7.925 1.00 0.00 C ATOM 1643 C HIS A 102 23.211 -0.134 7.403 1.00 0.00 C ATOM 1644 O HIS A 102 23.307 0.070 6.190 1.00 0.00 O ATOM 1645 CB HIS A 102 23.586 -2.542 6.962 1.00 0.00 C ATOM 1646 CG HIS A 102 23.730 -3.923 7.511 1.00 0.00 C ATOM 1647 ND1 HIS A 102 23.500 -5.052 6.759 1.00 0.00 N ATOM 1648 CD2 HIS A 102 24.131 -4.356 8.728 1.00 0.00 C ATOM 1649 CE1 HIS A 102 23.755 -6.122 7.487 1.00 0.00 C ATOM 1650 NE2 HIS A 102 24.141 -5.727 8.686 1.00 0.00 N ATOM 0 H HIS A 102 21.094 -2.272 7.316 1.00 0.00 H new ATOM 0 HA HIS A 102 23.417 -1.668 8.905 1.00 0.00 H new ATOM 0 HB2 HIS A 102 22.979 -2.587 6.058 1.00 0.00 H new ATOM 0 HB3 HIS A 102 24.570 -2.178 6.667 1.00 0.00 H new ATOM 0 HD2 HIS A 102 24.394 -3.738 9.574 1.00 0.00 H new ATOM 0 HE1 HIS A 102 23.664 -7.147 7.158 1.00 0.00 H new ATOM 0 HE2 HIS A 102 24.404 -6.342 9.456 1.00 0.00 H new ATOM 1659 N HIS A 103 23.273 0.829 8.316 1.00 0.00 N ATOM 1660 CA HIS A 103 23.459 2.228 7.948 1.00 0.00 C ATOM 1661 C HIS A 103 22.265 2.700 7.106 1.00 0.00 C ATOM 1662 O HIS A 103 21.234 2.025 7.048 1.00 0.00 O ATOM 1663 CB HIS A 103 24.777 2.398 7.176 1.00 0.00 C ATOM 1664 CG HIS A 103 25.585 3.582 7.597 1.00 0.00 C ATOM 1665 ND1 HIS A 103 25.511 4.881 7.227 1.00 0.00 N flip ATOM 1666 CD2 HIS A 103 26.618 3.502 8.503 1.00 0.00 C flip ATOM 1667 CE1 HIS A 103 26.488 5.554 7.910 1.00 0.00 C flip ATOM 1668 NE2 HIS A 103 27.141 4.700 8.674 1.00 0.00 N flip ATOM 0 H HIS A 103 23.197 0.666 9.320 1.00 0.00 H new ATOM 0 HA HIS A 103 23.513 2.839 8.849 1.00 0.00 H new ATOM 0 HB2 HIS A 103 25.378 1.498 7.304 1.00 0.00 H new ATOM 0 HB3 HIS A 103 24.554 2.484 6.113 1.00 0.00 H new ATOM 0 HD2 HIS A 103 26.948 2.600 8.996 1.00 0.00 H new ATOM 0 HE1 HIS A 103 26.691 6.612 7.835 1.00 0.00 H new ATOM 0 HE2 HIS A 103 27.919 4.928 9.293 1.00 0.00 H new ATOM 1677 N HIS A 104 22.389 3.851 6.471 1.00 0.00 N ATOM 1678 CA HIS A 104 21.338 4.349 5.597 1.00 0.00 C ATOM 1679 C HIS A 104 21.943 5.166 4.466 1.00 0.00 C ATOM 1680 O HIS A 104 22.889 5.921 4.680 1.00 0.00 O ATOM 1681 CB HIS A 104 20.326 5.185 6.391 1.00 0.00 C ATOM 1682 CG HIS A 104 19.198 5.725 5.562 1.00 0.00 C ATOM 1683 ND1 HIS A 104 18.068 4.999 5.257 1.00 0.00 N ATOM 1684 CD2 HIS A 104 19.032 6.934 4.973 1.00 0.00 C ATOM 1685 CE1 HIS A 104 17.259 5.735 4.517 1.00 0.00 C ATOM 1686 NE2 HIS A 104 17.820 6.915 4.332 1.00 0.00 N ATOM 0 H HIS A 104 23.205 4.459 6.543 1.00 0.00 H new ATOM 0 HA HIS A 104 20.809 3.499 5.167 1.00 0.00 H new ATOM 0 HB2 HIS A 104 19.913 4.572 7.193 1.00 0.00 H new ATOM 0 HB3 HIS A 104 20.848 6.018 6.862 1.00 0.00 H new ATOM 0 HD2 HIS A 104 19.727 7.761 5.003 1.00 0.00 H new ATOM 0 HE1 HIS A 104 16.300 5.424 4.129 1.00 0.00 H new ATOM 0 HE2 HIS A 104 17.418 7.686 3.799 1.00 0.00 H new ATOM 1695 N HIS A 105 21.407 4.994 3.267 1.00 0.00 N ATOM 1696 CA HIS A 105 21.884 5.719 2.100 1.00 0.00 C ATOM 1697 C HIS A 105 20.747 5.917 1.108 1.00 0.00 C ATOM 1698 O HIS A 105 19.705 5.267 1.210 1.00 0.00 O ATOM 1699 CB HIS A 105 23.045 4.968 1.430 1.00 0.00 C ATOM 1700 CG HIS A 105 22.677 3.610 0.901 1.00 0.00 C ATOM 1701 ND1 HIS A 105 22.756 2.459 1.654 1.00 0.00 N ATOM 1702 CD2 HIS A 105 22.231 3.226 -0.318 1.00 0.00 C ATOM 1703 CE1 HIS A 105 22.377 1.429 0.925 1.00 0.00 C ATOM 1704 NE2 HIS A 105 22.053 1.868 -0.276 1.00 0.00 N ATOM 0 H HIS A 105 20.636 4.354 3.077 1.00 0.00 H new ATOM 0 HA HIS A 105 22.247 6.694 2.425 1.00 0.00 H new ATOM 0 HB2 HIS A 105 23.429 5.574 0.609 1.00 0.00 H new ATOM 0 HB3 HIS A 105 23.855 4.857 2.151 1.00 0.00 H new ATOM 0 HD2 HIS A 105 22.049 3.870 -1.166 1.00 0.00 H new ATOM 0 HE1 HIS A 105 22.338 0.401 1.254 1.00 0.00 H new ATOM 0 HE2 HIS A 105 21.723 1.290 -1.049 1.00 0.00 H new ATOM 1713 N HIS A 106 20.943 6.816 0.162 1.00 0.00 N ATOM 1714 CA HIS A 106 19.964 7.034 -0.891 1.00 0.00 C ATOM 1715 C HIS A 106 20.117 5.971 -1.974 1.00 0.00 C ATOM 1716 O HIS A 106 21.061 6.080 -2.782 1.00 0.00 O ATOM 1717 CB HIS A 106 20.116 8.437 -1.492 1.00 0.00 C ATOM 1718 CG HIS A 106 19.112 8.744 -2.565 1.00 0.00 C ATOM 1719 ND1 HIS A 106 17.904 9.356 -2.316 1.00 0.00 N ATOM 1720 CD2 HIS A 106 19.141 8.511 -3.898 1.00 0.00 C ATOM 1721 CE1 HIS A 106 17.235 9.482 -3.446 1.00 0.00 C ATOM 1722 NE2 HIS A 106 17.963 8.978 -4.422 1.00 0.00 N ATOM 1723 OXT HIS A 106 19.287 5.043 -2.016 1.00 0.00 O ATOM 0 H HIS A 106 21.771 7.408 0.099 1.00 0.00 H new ATOM 0 HA HIS A 106 18.966 6.956 -0.459 1.00 0.00 H new ATOM 0 HB2 HIS A 106 20.022 9.176 -0.696 1.00 0.00 H new ATOM 0 HB3 HIS A 106 21.119 8.539 -1.905 1.00 0.00 H new ATOM 0 HD2 HIS A 106 19.944 8.043 -4.448 1.00 0.00 H new ATOM 0 HE1 HIS A 106 16.255 9.924 -3.553 1.00 0.00 H new ATOM 0 HE2 HIS A 106 17.694 8.941 -5.405 1.00 0.00 H new TER 1732 HIS A 106