USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 570 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.64) USER MOD Single : A 30 THR OG1 : rot 7:sc= 0.43 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0822 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -6.16! C(o=-6.2!,f=-8.6!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 72:sc= 0.563 USER MOD Single : A 70 GLN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 75 THR OG1 : rot -66:sc= 0.62 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 170:sc= 0.017 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -168:sc= -0.0809 (180deg=-0.277) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0521 X(o=-0.052,f=-0.052) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 -2.430 7.333 11.290 1.00 0.00 N ATOM 2 CA MET A 15 -1.314 7.038 10.402 1.00 0.00 C ATOM 3 C MET A 15 -1.742 6.052 9.341 1.00 0.00 C ATOM 4 O MET A 15 -1.245 6.171 8.237 1.00 0.00 O ATOM 5 CB MET A 15 -0.096 6.510 11.198 1.00 0.00 C ATOM 6 CG MET A 15 -0.483 5.311 12.097 1.00 0.00 C ATOM 7 SD MET A 15 0.980 4.797 13.051 1.00 0.00 S ATOM 8 CE MET A 15 0.234 3.435 13.997 1.00 0.00 C ATOM 0 HA MET A 15 -1.007 7.961 9.910 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.690 6.208 10.505 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.313 7.311 11.814 1.00 0.00 H new ATOM 0 HG2 MET A 15 -1.294 5.590 12.770 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.846 4.484 11.487 1.00 0.00 H new ATOM 0 HE1 MET A 15 0.986 2.989 14.648 1.00 0.00 H new ATOM 0 HE2 MET A 15 -0.587 3.819 14.602 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.145 2.679 13.309 1.00 0.00 H new ATOM 18 N ALA A 16 -2.668 5.093 9.578 1.00 0.00 N ATOM 19 CA ALA A 16 -3.102 4.250 8.466 1.00 0.00 C ATOM 20 C ALA A 16 -3.629 5.098 7.308 1.00 0.00 C ATOM 21 O ALA A 16 -3.288 4.745 6.191 1.00 0.00 O ATOM 22 CB ALA A 16 -4.113 3.144 8.867 1.00 0.00 C ATOM 0 H ALA A 16 -3.102 4.898 10.480 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.212 3.717 8.132 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.385 2.563 7.986 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.659 2.487 9.609 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.007 3.604 9.289 1.00 0.00 H new ATOM 28 N PRO A 17 -4.422 6.183 7.471 1.00 0.00 N ATOM 29 CA PRO A 17 -4.848 6.959 6.306 1.00 0.00 C ATOM 30 C PRO A 17 -3.705 7.736 5.704 1.00 0.00 C ATOM 31 O PRO A 17 -3.508 7.651 4.502 1.00 0.00 O ATOM 32 CB PRO A 17 -5.956 7.871 6.886 1.00 0.00 C ATOM 33 CG PRO A 17 -5.840 7.821 8.430 1.00 0.00 C ATOM 34 CD PRO A 17 -4.882 6.656 8.768 1.00 0.00 C ATOM 0 HA PRO A 17 -5.205 6.344 5.480 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.839 8.893 6.526 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.940 7.530 6.564 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.455 8.763 8.820 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.817 7.663 8.886 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.050 6.992 9.387 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.393 5.868 9.321 1.00 0.00 H new ATOM 42 N ALA A 18 -2.933 8.505 6.505 1.00 0.00 N ATOM 43 CA ALA A 18 -1.839 9.267 5.917 1.00 0.00 C ATOM 44 C ALA A 18 -0.884 8.327 5.224 1.00 0.00 C ATOM 45 O ALA A 18 -0.404 8.649 4.148 1.00 0.00 O ATOM 46 CB ALA A 18 -1.032 10.041 6.989 1.00 0.00 C ATOM 0 H ALA A 18 -3.048 8.605 7.514 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.282 9.977 5.218 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.226 10.595 6.508 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.691 10.736 7.509 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.610 9.337 7.706 1.00 0.00 H new ATOM 52 N LEU A 19 -0.585 7.164 5.849 1.00 0.00 N ATOM 53 CA LEU A 19 0.400 6.260 5.271 1.00 0.00 C ATOM 54 C LEU A 19 -0.249 5.708 4.020 1.00 0.00 C ATOM 55 O LEU A 19 0.214 6.082 2.956 1.00 0.00 O ATOM 56 CB LEU A 19 0.938 5.170 6.251 1.00 0.00 C ATOM 57 CG LEU A 19 2.447 4.800 6.103 1.00 0.00 C ATOM 58 CD1 LEU A 19 2.813 4.520 4.625 1.00 0.00 C ATOM 59 CD2 LEU A 19 3.403 5.855 6.728 1.00 0.00 C ATOM 0 H LEU A 19 -1.003 6.849 6.724 1.00 0.00 H new ATOM 0 HA LEU A 19 1.319 6.794 5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.767 5.512 7.272 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.347 4.264 6.115 1.00 0.00 H new ATOM 0 HG LEU A 19 2.591 3.883 6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.870 4.265 4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.214 3.689 4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.613 5.408 4.026 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.436 5.536 6.590 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.252 6.818 6.239 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.192 5.952 7.793 1.00 0.00 H new ATOM 71 N VAL A 20 -1.331 4.886 4.099 1.00 0.00 N ATOM 72 CA VAL A 20 -1.905 4.301 2.878 1.00 0.00 C ATOM 73 C VAL A 20 -2.062 5.355 1.799 1.00 0.00 C ATOM 74 O VAL A 20 -1.927 5.031 0.629 1.00 0.00 O ATOM 75 CB VAL A 20 -3.240 3.509 3.087 1.00 0.00 C ATOM 76 CG1 VAL A 20 -4.463 4.462 3.149 1.00 0.00 C ATOM 77 CG2 VAL A 20 -3.481 2.435 1.980 1.00 0.00 C ATOM 0 H VAL A 20 -1.802 4.627 4.966 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.183 3.551 2.556 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.133 2.995 4.042 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.372 3.878 3.295 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.341 5.157 3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.536 5.021 2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.420 1.916 2.174 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.530 2.921 1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.662 1.716 1.986 1.00 0.00 H new ATOM 87 N ALA A 21 -2.349 6.625 2.182 1.00 0.00 N ATOM 88 CA ALA A 21 -2.500 7.674 1.182 1.00 0.00 C ATOM 89 C ALA A 21 -1.187 7.941 0.465 1.00 0.00 C ATOM 90 O ALA A 21 -1.191 8.129 -0.742 1.00 0.00 O ATOM 91 CB ALA A 21 -3.035 9.007 1.772 1.00 0.00 C ATOM 0 H ALA A 21 -2.474 6.926 3.148 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.241 7.300 0.475 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.125 9.747 0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.013 8.839 2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.343 9.373 2.531 1.00 0.00 H new ATOM 97 N ALA A 22 -0.054 7.964 1.206 1.00 0.00 N ATOM 98 CA ALA A 22 1.253 8.241 0.598 1.00 0.00 C ATOM 99 C ALA A 22 1.603 7.414 -0.627 1.00 0.00 C ATOM 100 O ALA A 22 2.449 7.881 -1.375 1.00 0.00 O ATOM 101 CB ALA A 22 2.375 8.013 1.641 1.00 0.00 C ATOM 0 H ALA A 22 -0.026 7.796 2.212 1.00 0.00 H new ATOM 0 HA ALA A 22 1.177 9.277 0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.343 8.220 1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.224 8.680 2.490 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.349 6.978 1.983 1.00 0.00 H new ATOM 107 N PHE A 23 1.006 6.215 -0.855 1.00 0.00 N ATOM 108 CA PHE A 23 1.274 5.441 -2.083 1.00 0.00 C ATOM 109 C PHE A 23 -0.024 4.962 -2.717 1.00 0.00 C ATOM 110 O PHE A 23 -0.197 5.171 -3.909 1.00 0.00 O ATOM 111 CB PHE A 23 2.333 4.326 -1.856 1.00 0.00 C ATOM 112 CG PHE A 23 3.238 3.860 -3.021 1.00 0.00 C ATOM 113 CD1 PHE A 23 3.799 4.739 -3.960 1.00 0.00 C ATOM 114 CD2 PHE A 23 3.559 2.496 -3.113 1.00 0.00 C ATOM 115 CE1 PHE A 23 4.736 4.282 -4.892 1.00 0.00 C ATOM 116 CE2 PHE A 23 4.415 2.024 -4.112 1.00 0.00 C ATOM 117 CZ PHE A 23 5.002 2.915 -5.010 1.00 0.00 C ATOM 0 H PHE A 23 0.348 5.774 -0.213 1.00 0.00 H new ATOM 0 HA PHE A 23 1.735 6.104 -2.816 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.989 4.662 -1.053 1.00 0.00 H new ATOM 0 HB3 PHE A 23 1.803 3.448 -1.488 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.504 5.778 -3.963 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.138 1.801 -2.401 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.256 4.988 -5.523 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.622 0.967 -4.189 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.656 2.552 -5.789 1.00 0.00 H new ATOM 127 N GLY A 24 -0.971 4.338 -1.968 1.00 0.00 N ATOM 128 CA GLY A 24 -2.276 4.003 -2.541 1.00 0.00 C ATOM 129 C GLY A 24 -3.154 5.213 -2.765 1.00 0.00 C ATOM 130 O GLY A 24 -4.062 5.110 -3.576 1.00 0.00 O ATOM 0 H GLY A 24 -0.849 4.068 -0.992 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.128 3.488 -3.490 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.789 3.307 -1.878 1.00 0.00 H new ATOM 134 N GLY A 25 -2.905 6.359 -2.087 1.00 0.00 N ATOM 135 CA GLY A 25 -3.654 7.582 -2.385 1.00 0.00 C ATOM 136 C GLY A 25 -2.946 8.428 -3.410 1.00 0.00 C ATOM 137 O GLY A 25 -3.316 9.583 -3.566 1.00 0.00 O ATOM 0 H GLY A 25 -2.207 6.453 -1.349 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.647 7.321 -2.750 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.792 8.157 -1.470 1.00 0.00 H new ATOM 141 N LYS A 26 -1.926 7.877 -4.113 1.00 0.00 N ATOM 142 CA LYS A 26 -1.302 8.606 -5.210 1.00 0.00 C ATOM 143 C LYS A 26 -1.985 8.026 -6.432 1.00 0.00 C ATOM 144 O LYS A 26 -1.314 7.481 -7.292 1.00 0.00 O ATOM 145 CB LYS A 26 0.232 8.365 -5.203 1.00 0.00 C ATOM 146 CG LYS A 26 0.933 8.539 -3.831 1.00 0.00 C ATOM 147 CD LYS A 26 1.082 9.989 -3.272 1.00 0.00 C ATOM 148 CE LYS A 26 2.555 10.520 -3.208 1.00 0.00 C ATOM 149 NZ LYS A 26 2.891 11.381 -4.364 1.00 0.00 N ATOM 0 H LYS A 26 -1.536 6.952 -3.935 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.416 9.689 -5.159 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.424 7.354 -5.563 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.692 9.050 -5.915 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.383 7.951 -3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.930 8.104 -3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.494 10.665 -3.893 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.655 10.023 -2.270 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.697 11.083 -2.285 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.243 9.675 -3.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.874 11.709 -4.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.782 10.838 -5.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.253 12.202 -4.382 1.00 0.00 H new ATOM 163 N GLU A 27 -3.338 8.093 -6.523 1.00 0.00 N ATOM 164 CA GLU A 27 -4.021 7.422 -7.636 1.00 0.00 C ATOM 165 C GLU A 27 -3.453 7.863 -8.970 1.00 0.00 C ATOM 166 O GLU A 27 -3.547 7.120 -9.935 1.00 0.00 O ATOM 167 CB GLU A 27 -5.567 7.588 -7.579 1.00 0.00 C ATOM 168 CG GLU A 27 -6.032 8.941 -8.181 1.00 0.00 C ATOM 169 CD GLU A 27 -7.508 9.189 -7.973 1.00 0.00 C ATOM 170 OE1 GLU A 27 -8.032 8.822 -6.885 1.00 0.00 O ATOM 171 OE2 GLU A 27 -8.164 9.758 -8.889 1.00 0.00 O ATOM 0 H GLU A 27 -3.946 8.583 -5.867 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.829 6.354 -7.529 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.039 6.769 -8.122 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.901 7.519 -6.544 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.463 9.752 -7.727 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.811 8.955 -9.248 1.00 0.00 H new ATOM 178 N ASN A 28 -2.836 9.070 -9.021 1.00 0.00 N ATOM 179 CA ASN A 28 -2.147 9.529 -10.232 1.00 0.00 C ATOM 180 C ASN A 28 -1.065 8.588 -10.748 1.00 0.00 C ATOM 181 O ASN A 28 -0.571 8.831 -11.839 1.00 0.00 O ATOM 182 CB ASN A 28 -1.505 10.918 -9.947 1.00 0.00 C ATOM 183 CG ASN A 28 -0.945 11.591 -11.180 1.00 0.00 C ATOM 184 OD1 ASN A 28 -1.561 11.507 -12.231 1.00 0.00 O ATOM 185 ND2 ASN A 28 0.215 12.279 -11.077 1.00 0.00 N ATOM 0 H ASN A 28 -2.807 9.729 -8.243 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.907 9.573 -11.012 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.254 11.569 -9.496 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.706 10.796 -9.215 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.603 12.750 -11.894 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.702 12.327 -10.182 1.00 0.00 H new ATOM 192 N ILE A 29 -0.667 7.528 -10.001 1.00 0.00 N ATOM 193 CA ILE A 29 0.398 6.615 -10.435 1.00 0.00 C ATOM 194 C ILE A 29 0.327 6.169 -11.883 1.00 0.00 C ATOM 195 O ILE A 29 -0.749 6.142 -12.459 1.00 0.00 O ATOM 196 CB ILE A 29 0.428 5.374 -9.475 1.00 0.00 C ATOM 197 CG1 ILE A 29 1.028 5.654 -8.053 1.00 0.00 C ATOM 198 CG2 ILE A 29 1.064 4.106 -10.108 1.00 0.00 C ATOM 199 CD1 ILE A 29 1.810 6.980 -7.858 1.00 0.00 C ATOM 0 H ILE A 29 -1.074 7.292 -9.096 1.00 0.00 H new ATOM 0 HA ILE A 29 1.325 7.185 -10.377 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.630 5.164 -9.321 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.210 5.636 -7.333 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.694 4.829 -7.800 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.049 3.291 -9.384 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.496 3.817 -10.992 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.094 4.319 -10.393 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.168 7.043 -6.830 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.659 7.005 -8.541 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.152 7.824 -8.066 1.00 0.00 H new ATOM 211 N THR A 30 1.500 5.813 -12.474 1.00 0.00 N ATOM 212 CA THR A 30 1.557 5.358 -13.864 1.00 0.00 C ATOM 213 C THR A 30 0.934 3.977 -14.024 1.00 0.00 C ATOM 214 O THR A 30 0.095 3.856 -14.904 1.00 0.00 O ATOM 215 CB THR A 30 3.009 5.468 -14.430 1.00 0.00 C ATOM 216 OG1 THR A 30 3.954 4.751 -13.618 1.00 0.00 O ATOM 217 CG2 THR A 30 3.481 6.946 -14.465 1.00 0.00 C ATOM 0 H THR A 30 2.404 5.837 -12.002 1.00 0.00 H new ATOM 0 HA THR A 30 0.947 6.023 -14.475 1.00 0.00 H new ATOM 0 HB THR A 30 2.973 5.043 -15.433 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.476 4.248 -12.926 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.495 6.995 -14.863 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.813 7.526 -15.101 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.467 7.356 -13.455 1.00 0.00 H new ATOM 225 N ASN A 31 1.287 2.931 -13.227 1.00 0.00 N ATOM 226 CA ASN A 31 0.637 1.619 -13.369 1.00 0.00 C ATOM 227 C ASN A 31 0.253 0.997 -12.036 1.00 0.00 C ATOM 228 O ASN A 31 0.978 1.191 -11.074 1.00 0.00 O ATOM 229 CB ASN A 31 1.596 0.658 -14.110 1.00 0.00 C ATOM 230 CG ASN A 31 0.912 -0.615 -14.552 1.00 0.00 C ATOM 231 OD1 ASN A 31 1.120 -1.651 -13.938 1.00 0.00 O ATOM 232 ND2 ASN A 31 0.088 -0.557 -15.622 1.00 0.00 N ATOM 0 H ASN A 31 2.001 2.977 -12.500 1.00 0.00 H new ATOM 0 HA ASN A 31 -0.283 1.777 -13.931 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.012 1.165 -14.981 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.432 0.409 -13.457 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.388 -1.399 -15.945 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.058 0.329 -16.106 1.00 0.00 H new ATOM 239 N LEU A 32 -0.870 0.233 -11.977 1.00 0.00 N ATOM 240 CA LEU A 32 -1.308 -0.463 -10.756 1.00 0.00 C ATOM 241 C LEU A 32 -1.420 -1.939 -11.110 1.00 0.00 C ATOM 242 O LEU A 32 -1.455 -2.255 -12.289 1.00 0.00 O ATOM 243 CB LEU A 32 -2.719 0.034 -10.288 1.00 0.00 C ATOM 244 CG LEU A 32 -2.824 1.185 -9.231 1.00 0.00 C ATOM 245 CD1 LEU A 32 -2.941 0.674 -7.765 1.00 0.00 C ATOM 246 CD2 LEU A 32 -1.689 2.236 -9.366 1.00 0.00 C ATOM 0 H LEU A 32 -1.488 0.088 -12.775 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.596 -0.274 -9.952 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.262 0.357 -11.176 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.251 -0.828 -9.885 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.763 1.687 -9.465 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.010 1.525 -7.087 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.834 0.057 -7.665 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.061 0.081 -7.515 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.816 3.008 -8.607 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.724 1.748 -9.230 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.730 2.690 -10.356 1.00 0.00 H new ATOM 258 N ASP A 33 -1.489 -2.847 -10.106 1.00 0.00 N ATOM 259 CA ASP A 33 -1.716 -4.273 -10.378 1.00 0.00 C ATOM 260 C ASP A 33 -2.524 -4.810 -9.205 1.00 0.00 C ATOM 261 O ASP A 33 -2.018 -5.560 -8.385 1.00 0.00 O ATOM 262 CB ASP A 33 -0.370 -5.009 -10.664 1.00 0.00 C ATOM 263 CG ASP A 33 -0.213 -5.780 -11.951 1.00 0.00 C ATOM 264 OD1 ASP A 33 -1.188 -5.884 -12.742 1.00 0.00 O ATOM 265 OD2 ASP A 33 0.917 -6.296 -12.185 1.00 0.00 O ATOM 0 H ASP A 33 -1.391 -2.615 -9.118 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.289 -4.445 -11.289 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.425 -4.264 -10.628 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.194 -5.703 -9.842 1.00 0.00 H new ATOM 270 N ALA A 34 -3.814 -4.405 -9.111 1.00 0.00 N ATOM 271 CA ALA A 34 -4.657 -4.853 -8.002 1.00 0.00 C ATOM 272 C ALA A 34 -5.097 -6.284 -8.200 1.00 0.00 C ATOM 273 O ALA A 34 -5.165 -6.711 -9.341 1.00 0.00 O ATOM 274 CB ALA A 34 -5.880 -3.923 -7.798 1.00 0.00 C ATOM 0 H ALA A 34 -4.274 -3.785 -9.777 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.053 -4.803 -7.096 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.481 -4.289 -6.966 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.536 -2.912 -7.580 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.484 -3.913 -8.705 1.00 0.00 H new ATOM 280 N CYS A 35 -5.387 -7.032 -7.106 1.00 0.00 N ATOM 281 CA CYS A 35 -5.800 -8.430 -7.260 1.00 0.00 C ATOM 282 C CYS A 35 -6.351 -8.989 -5.958 1.00 0.00 C ATOM 283 O CYS A 35 -6.417 -8.255 -4.984 1.00 0.00 O ATOM 284 CB CYS A 35 -4.616 -9.289 -7.793 1.00 0.00 C ATOM 285 SG CYS A 35 -5.007 -10.123 -9.364 1.00 0.00 S ATOM 0 H CYS A 35 -5.342 -6.697 -6.144 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.605 -8.471 -7.993 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.743 -8.651 -7.932 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.349 -10.036 -7.046 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.980 -10.818 -9.753 1.00 0.00 H new ATOM 291 N ILE A 36 -6.754 -10.286 -5.944 1.00 0.00 N ATOM 292 CA ILE A 36 -7.445 -10.864 -4.787 1.00 0.00 C ATOM 293 C ILE A 36 -6.941 -10.345 -3.454 1.00 0.00 C ATOM 294 O ILE A 36 -7.736 -9.848 -2.671 1.00 0.00 O ATOM 295 CB ILE A 36 -7.548 -12.429 -4.773 1.00 0.00 C ATOM 296 CG1 ILE A 36 -6.226 -13.228 -4.519 1.00 0.00 C ATOM 297 CG2 ILE A 36 -8.300 -12.978 -6.022 1.00 0.00 C ATOM 298 CD1 ILE A 36 -5.110 -13.071 -5.588 1.00 0.00 C ATOM 0 H ILE A 36 -6.609 -10.936 -6.717 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.464 -10.503 -4.923 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.139 -12.616 -3.876 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.821 -12.922 -3.554 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.476 -14.286 -4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.347 -14.066 -5.969 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.311 -12.572 -6.046 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.769 -12.681 -6.926 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.246 -13.671 -5.303 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.482 -13.409 -6.555 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.818 -12.023 -5.658 1.00 0.00 H new ATOM 310 N THR A 37 -5.622 -10.438 -3.183 1.00 0.00 N ATOM 311 CA THR A 37 -5.064 -9.947 -1.926 1.00 0.00 C ATOM 312 C THR A 37 -3.699 -9.383 -2.275 1.00 0.00 C ATOM 313 O THR A 37 -2.725 -9.601 -1.571 1.00 0.00 O ATOM 314 CB THR A 37 -5.090 -11.134 -0.920 1.00 0.00 C ATOM 315 OG1 THR A 37 -6.431 -11.637 -0.790 1.00 0.00 O ATOM 316 CG2 THR A 37 -4.564 -10.776 0.491 1.00 0.00 C ATOM 0 H THR A 37 -4.937 -10.847 -3.818 1.00 0.00 H new ATOM 0 HA THR A 37 -5.616 -9.145 -1.436 1.00 0.00 H new ATOM 0 HB THR A 37 -4.418 -11.886 -1.335 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.440 -12.385 -0.157 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.615 -11.656 1.132 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.530 -10.439 0.419 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.176 -9.981 0.917 1.00 0.00 H new ATOM 324 N ARG A 38 -3.649 -8.642 -3.413 1.00 0.00 N ATOM 325 CA ARG A 38 -2.391 -8.122 -3.940 1.00 0.00 C ATOM 326 C ARG A 38 -2.644 -6.717 -4.422 1.00 0.00 C ATOM 327 O ARG A 38 -3.704 -6.476 -4.974 1.00 0.00 O ATOM 328 CB ARG A 38 -1.843 -8.987 -5.107 1.00 0.00 C ATOM 329 CG ARG A 38 -0.696 -8.297 -5.903 1.00 0.00 C ATOM 330 CD ARG A 38 -0.026 -9.230 -6.962 1.00 0.00 C ATOM 331 NE ARG A 38 -0.662 -9.211 -8.285 1.00 0.00 N ATOM 332 CZ ARG A 38 -0.247 -9.936 -9.305 1.00 0.00 C ATOM 333 NH1 ARG A 38 0.785 -10.745 -9.224 1.00 0.00 N ATOM 334 NH2 ARG A 38 -0.880 -9.852 -10.454 1.00 0.00 N ATOM 0 H ARG A 38 -4.469 -8.400 -3.970 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.639 -8.143 -3.151 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.480 -9.934 -4.708 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.659 -9.221 -5.790 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.093 -7.415 -6.406 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.064 -7.950 -5.203 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.019 -8.941 -7.072 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.036 -10.252 -6.584 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.470 -8.603 -8.423 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.299 -10.830 -8.347 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.072 -11.288 -10.038 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.683 -9.231 -10.550 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.568 -10.408 -11.250 1.00 0.00 H new ATOM 348 N LEU A 39 -1.686 -5.785 -4.235 1.00 0.00 N ATOM 349 CA LEU A 39 -1.878 -4.408 -4.674 1.00 0.00 C ATOM 350 C LEU A 39 -0.540 -3.823 -5.044 1.00 0.00 C ATOM 351 O LEU A 39 0.296 -3.894 -4.165 1.00 0.00 O ATOM 352 CB LEU A 39 -2.625 -3.610 -3.565 1.00 0.00 C ATOM 353 CG LEU A 39 -4.103 -3.279 -3.941 1.00 0.00 C ATOM 354 CD1 LEU A 39 -4.974 -2.994 -2.684 1.00 0.00 C ATOM 355 CD2 LEU A 39 -4.147 -2.067 -4.913 1.00 0.00 C ATOM 0 H LEU A 39 -0.787 -5.968 -3.788 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.505 -4.357 -5.564 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.612 -4.186 -2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.089 -2.681 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.522 -4.155 -4.435 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.995 -2.768 -2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.976 -3.871 -2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.562 -2.143 -2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.183 -1.844 -5.170 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.697 -1.198 -4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.592 -2.308 -5.820 1.00 0.00 H new ATOM 367 N ARG A 40 -0.326 -3.316 -6.284 1.00 0.00 N ATOM 368 CA ARG A 40 1.013 -2.916 -6.737 1.00 0.00 C ATOM 369 C ARG A 40 0.959 -1.500 -7.220 1.00 0.00 C ATOM 370 O ARG A 40 -0.095 -1.098 -7.676 1.00 0.00 O ATOM 371 CB ARG A 40 1.497 -3.841 -7.893 1.00 0.00 C ATOM 372 CG ARG A 40 2.466 -3.183 -8.930 1.00 0.00 C ATOM 373 CD ARG A 40 3.200 -4.192 -9.871 1.00 0.00 C ATOM 374 NE ARG A 40 4.615 -3.864 -10.104 1.00 0.00 N ATOM 375 CZ ARG A 40 5.487 -4.702 -10.627 1.00 0.00 C ATOM 376 NH1 ARG A 40 5.153 -5.894 -11.068 1.00 0.00 N ATOM 377 NH2 ARG A 40 6.748 -4.337 -10.714 1.00 0.00 N ATOM 0 H ARG A 40 -1.062 -3.179 -6.976 1.00 0.00 H new ATOM 0 HA ARG A 40 1.713 -3.004 -5.906 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.996 -4.706 -7.456 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.622 -4.213 -8.426 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.899 -2.483 -9.543 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.213 -2.601 -8.390 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.134 -5.191 -9.439 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.681 -4.224 -10.829 1.00 0.00 H new ATOM 0 HE ARG A 40 4.940 -2.933 -9.845 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.183 -6.205 -11.013 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.864 -6.508 -11.465 1.00 0.00 H new ATOM 0 HH21 ARG A 40 7.037 -3.418 -10.379 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.436 -4.973 -11.116 1.00 0.00 H new ATOM 391 N VAL A 41 2.078 -0.742 -7.140 1.00 0.00 N ATOM 392 CA VAL A 41 2.040 0.664 -7.508 1.00 0.00 C ATOM 393 C VAL A 41 3.340 0.937 -8.244 1.00 0.00 C ATOM 394 O VAL A 41 4.309 1.262 -7.579 1.00 0.00 O ATOM 395 CB VAL A 41 1.756 1.483 -6.199 1.00 0.00 C ATOM 396 CG1 VAL A 41 0.458 2.338 -6.321 1.00 0.00 C ATOM 397 CG2 VAL A 41 1.599 0.606 -4.916 1.00 0.00 C ATOM 0 H VAL A 41 2.988 -1.083 -6.831 1.00 0.00 H new ATOM 0 HA VAL A 41 1.245 0.965 -8.191 1.00 0.00 H new ATOM 0 HB VAL A 41 2.640 2.112 -6.092 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.297 2.889 -5.395 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.561 3.040 -7.148 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.393 1.683 -6.506 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.405 1.249 -4.057 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.766 -0.085 -5.047 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.516 0.041 -4.747 1.00 0.00 H new ATOM 407 N SER A 42 3.405 0.790 -9.598 1.00 0.00 N ATOM 408 CA SER A 42 4.658 1.031 -10.333 1.00 0.00 C ATOM 409 C SER A 42 4.725 2.479 -10.764 1.00 0.00 C ATOM 410 O SER A 42 3.801 2.911 -11.433 1.00 0.00 O ATOM 411 CB SER A 42 4.809 0.095 -11.565 1.00 0.00 C ATOM 412 OG SER A 42 4.052 -1.104 -11.342 1.00 0.00 O ATOM 0 H SER A 42 2.617 0.512 -10.182 1.00 0.00 H new ATOM 0 HA SER A 42 5.485 0.808 -9.659 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.457 0.599 -12.465 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.859 -0.148 -11.725 1.00 0.00 H new ATOM 0 HG SER A 42 4.143 -1.697 -12.117 1.00 0.00 H new ATOM 418 N VAL A 43 5.772 3.244 -10.368 1.00 0.00 N ATOM 419 CA VAL A 43 5.723 4.700 -10.514 1.00 0.00 C ATOM 420 C VAL A 43 7.132 5.257 -10.518 1.00 0.00 C ATOM 421 O VAL A 43 8.039 4.532 -10.144 1.00 0.00 O ATOM 422 CB VAL A 43 4.826 5.298 -9.375 1.00 0.00 C ATOM 423 CG1 VAL A 43 4.467 4.258 -8.280 1.00 0.00 C ATOM 424 CG2 VAL A 43 5.438 6.532 -8.658 1.00 0.00 C ATOM 0 H VAL A 43 6.632 2.881 -9.958 1.00 0.00 H new ATOM 0 HA VAL A 43 5.271 4.983 -11.465 1.00 0.00 H new ATOM 0 HB VAL A 43 3.931 5.611 -9.912 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.845 4.730 -7.519 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.922 3.429 -8.731 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.381 3.884 -7.820 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.753 6.881 -7.886 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.388 6.253 -8.201 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.604 7.329 -9.383 1.00 0.00 H new ATOM 434 N ALA A 44 7.350 6.527 -10.937 1.00 0.00 N ATOM 435 CA ALA A 44 8.683 7.121 -10.817 1.00 0.00 C ATOM 436 C ALA A 44 9.143 7.129 -9.366 1.00 0.00 C ATOM 437 O ALA A 44 10.198 6.570 -9.113 1.00 0.00 O ATOM 438 CB ALA A 44 8.735 8.555 -11.408 1.00 0.00 C ATOM 0 H ALA A 44 6.640 7.134 -11.346 1.00 0.00 H new ATOM 0 HA ALA A 44 9.364 6.500 -11.399 1.00 0.00 H new ATOM 0 HB1 ALA A 44 9.742 8.958 -11.298 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.471 8.523 -12.465 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.029 9.193 -10.877 1.00 0.00 H new ATOM 444 N ASP A 45 8.367 7.750 -8.434 1.00 0.00 N ATOM 445 CA ASP A 45 8.699 7.806 -7.000 1.00 0.00 C ATOM 446 C ASP A 45 9.670 6.736 -6.514 1.00 0.00 C ATOM 447 O ASP A 45 10.855 6.924 -6.739 1.00 0.00 O ATOM 448 CB ASP A 45 7.434 7.947 -6.091 1.00 0.00 C ATOM 449 CG ASP A 45 6.448 9.022 -6.494 1.00 0.00 C ATOM 450 OD1 ASP A 45 6.707 9.741 -7.499 1.00 0.00 O ATOM 451 OD2 ASP A 45 5.387 9.151 -5.817 1.00 0.00 O ATOM 0 H ASP A 45 7.494 8.224 -8.667 1.00 0.00 H new ATOM 0 HA ASP A 45 9.265 8.732 -6.895 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.913 6.990 -6.076 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.763 8.147 -5.071 1.00 0.00 H new ATOM 456 N VAL A 46 9.264 5.625 -5.843 1.00 0.00 N ATOM 457 CA VAL A 46 10.220 4.589 -5.410 1.00 0.00 C ATOM 458 C VAL A 46 11.434 5.148 -4.680 1.00 0.00 C ATOM 459 O VAL A 46 12.419 4.440 -4.542 1.00 0.00 O ATOM 460 CB VAL A 46 10.500 3.550 -6.553 1.00 0.00 C ATOM 461 CG1 VAL A 46 9.331 3.557 -7.574 1.00 0.00 C ATOM 462 CG2 VAL A 46 11.831 3.779 -7.327 1.00 0.00 C ATOM 0 H VAL A 46 8.293 5.432 -5.596 1.00 0.00 H new ATOM 0 HA VAL A 46 9.746 3.999 -4.625 1.00 0.00 H new ATOM 0 HB VAL A 46 10.590 2.588 -6.048 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.533 2.833 -8.364 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.403 3.291 -7.067 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.234 4.552 -8.009 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.940 3.015 -8.097 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.816 4.764 -7.793 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.670 3.719 -6.634 1.00 0.00 H new ATOM 472 N SER A 47 11.386 6.411 -4.186 1.00 0.00 N ATOM 473 CA SER A 47 12.569 7.065 -3.632 1.00 0.00 C ATOM 474 C SER A 47 12.168 7.828 -2.382 1.00 0.00 C ATOM 475 O SER A 47 12.443 7.342 -1.294 1.00 0.00 O ATOM 476 CB SER A 47 13.192 7.938 -4.756 1.00 0.00 C ATOM 477 OG SER A 47 14.175 8.844 -4.233 1.00 0.00 O ATOM 0 H SER A 47 10.541 6.982 -4.166 1.00 0.00 H new ATOM 0 HA SER A 47 13.337 6.361 -3.313 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.651 7.294 -5.506 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.406 8.502 -5.258 1.00 0.00 H new ATOM 0 HG SER A 47 14.550 9.378 -4.964 1.00 0.00 H new ATOM 483 N LYS A 48 11.517 9.013 -2.503 1.00 0.00 N ATOM 484 CA LYS A 48 11.028 9.718 -1.309 1.00 0.00 C ATOM 485 C LYS A 48 9.855 8.990 -0.677 1.00 0.00 C ATOM 486 O LYS A 48 9.579 9.208 0.493 1.00 0.00 O ATOM 487 CB LYS A 48 10.669 11.208 -1.616 1.00 0.00 C ATOM 488 CG LYS A 48 9.161 11.546 -1.823 1.00 0.00 C ATOM 489 CD LYS A 48 8.418 10.709 -2.911 1.00 0.00 C ATOM 490 CE LYS A 48 7.640 11.565 -3.955 1.00 0.00 C ATOM 491 NZ LYS A 48 8.541 12.151 -4.972 1.00 0.00 N ATOM 0 H LYS A 48 11.327 9.482 -3.389 1.00 0.00 H new ATOM 0 HA LYS A 48 11.844 9.725 -0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.044 11.822 -0.797 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.210 11.508 -2.514 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.645 11.411 -0.873 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.078 12.601 -2.084 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.145 10.089 -3.436 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.719 10.033 -2.419 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.892 10.944 -4.448 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.104 12.364 -3.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.984 12.713 -5.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.239 12.764 -4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.034 11.389 -5.480 1.00 0.00 H new ATOM 505 N VAL A 49 9.151 8.128 -1.447 1.00 0.00 N ATOM 506 CA VAL A 49 7.953 7.446 -0.954 1.00 0.00 C ATOM 507 C VAL A 49 8.199 6.762 0.374 1.00 0.00 C ATOM 508 O VAL A 49 9.327 6.366 0.621 1.00 0.00 O ATOM 509 CB VAL A 49 7.473 6.419 -2.024 1.00 0.00 C ATOM 510 CG1 VAL A 49 8.508 5.274 -2.202 1.00 0.00 C ATOM 511 CG2 VAL A 49 6.050 5.870 -1.749 1.00 0.00 C ATOM 0 H VAL A 49 9.399 7.895 -2.409 1.00 0.00 H new ATOM 0 HA VAL A 49 7.175 8.191 -0.785 1.00 0.00 H new ATOM 0 HB VAL A 49 7.403 6.963 -2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.148 4.572 -2.954 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.462 5.692 -2.523 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.641 4.753 -1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.776 5.161 -2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.034 5.368 -0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.337 6.694 -1.742 1.00 0.00 H new ATOM 521 N ASP A 50 7.158 6.622 1.233 1.00 0.00 N ATOM 522 CA ASP A 50 7.307 5.951 2.528 1.00 0.00 C ATOM 523 C ASP A 50 6.838 4.512 2.445 1.00 0.00 C ATOM 524 O ASP A 50 6.052 4.091 3.279 1.00 0.00 O ATOM 525 CB ASP A 50 6.499 6.749 3.595 1.00 0.00 C ATOM 526 CG ASP A 50 5.020 6.790 3.283 1.00 0.00 C ATOM 527 OD1 ASP A 50 4.601 6.102 2.314 1.00 0.00 O ATOM 528 OD2 ASP A 50 4.260 7.511 3.984 1.00 0.00 O ATOM 0 H ASP A 50 6.216 6.966 1.045 1.00 0.00 H new ATOM 0 HA ASP A 50 8.358 5.928 2.815 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.649 6.296 4.575 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.884 7.767 3.653 1.00 0.00 H new ATOM 533 N GLN A 51 7.307 3.723 1.451 1.00 0.00 N ATOM 534 CA GLN A 51 6.853 2.336 1.349 1.00 0.00 C ATOM 535 C GLN A 51 7.345 1.611 2.572 1.00 0.00 C ATOM 536 O GLN A 51 6.601 0.798 3.089 1.00 0.00 O ATOM 537 CB GLN A 51 7.402 1.583 0.113 1.00 0.00 C ATOM 538 CG GLN A 51 6.854 2.216 -1.194 1.00 0.00 C ATOM 539 CD GLN A 51 7.674 2.120 -2.459 1.00 0.00 C ATOM 540 OE1 GLN A 51 7.096 2.442 -3.482 1.00 0.00 O ATOM 541 NE2 GLN A 51 8.975 1.757 -2.514 1.00 0.00 N ATOM 0 H GLN A 51 7.974 4.017 0.738 1.00 0.00 H new ATOM 0 HA GLN A 51 5.767 2.358 1.257 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.491 1.618 0.112 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.117 0.532 0.163 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.884 1.762 -1.397 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.677 3.273 -0.997 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.465 1.486 -1.662 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.466 1.754 -3.408 1.00 0.00 H new ATOM 550 N ALA A 52 8.579 1.904 3.044 1.00 0.00 N ATOM 551 CA ALA A 52 9.076 1.310 4.285 1.00 0.00 C ATOM 552 C ALA A 52 7.984 1.171 5.328 1.00 0.00 C ATOM 553 O ALA A 52 7.961 0.165 6.021 1.00 0.00 O ATOM 554 CB ALA A 52 10.205 2.203 4.864 1.00 0.00 C ATOM 0 H ALA A 52 9.232 2.539 2.585 1.00 0.00 H new ATOM 0 HA ALA A 52 9.448 0.313 4.047 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.578 1.764 5.789 1.00 0.00 H new ATOM 0 HB2 ALA A 52 11.019 2.274 4.142 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.812 3.199 5.068 1.00 0.00 H new ATOM 560 N GLY A 53 7.069 2.162 5.444 1.00 0.00 N ATOM 561 CA GLY A 53 5.901 2.001 6.310 1.00 0.00 C ATOM 562 C GLY A 53 4.749 1.362 5.564 1.00 0.00 C ATOM 563 O GLY A 53 4.069 0.531 6.142 1.00 0.00 O ATOM 0 H GLY A 53 7.123 3.057 4.957 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.165 1.387 7.171 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.594 2.973 6.695 1.00 0.00 H new ATOM 567 N LEU A 54 4.476 1.748 4.295 1.00 0.00 N ATOM 568 CA LEU A 54 3.294 1.229 3.596 1.00 0.00 C ATOM 569 C LEU A 54 3.381 -0.262 3.387 1.00 0.00 C ATOM 570 O LEU A 54 2.351 -0.863 3.138 1.00 0.00 O ATOM 571 CB LEU A 54 3.063 1.911 2.213 1.00 0.00 C ATOM 572 CG LEU A 54 1.565 2.093 1.798 1.00 0.00 C ATOM 573 CD1 LEU A 54 1.328 3.565 1.364 1.00 0.00 C ATOM 574 CD2 LEU A 54 1.113 1.113 0.679 1.00 0.00 C ATOM 0 H LEU A 54 5.045 2.399 3.753 1.00 0.00 H new ATOM 0 HA LEU A 54 2.450 1.463 4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.541 2.891 2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.566 1.321 1.447 1.00 0.00 H new ATOM 0 HG LEU A 54 0.955 1.854 2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.285 3.695 1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.560 4.231 2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.972 3.803 0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.065 1.293 0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.721 1.272 -0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.235 0.086 1.023 1.00 0.00 H new ATOM 586 N LYS A 55 4.583 -0.864 3.476 1.00 0.00 N ATOM 587 CA LYS A 55 4.755 -2.295 3.246 1.00 0.00 C ATOM 588 C LYS A 55 4.349 -3.143 4.424 1.00 0.00 C ATOM 589 O LYS A 55 3.770 -4.198 4.209 1.00 0.00 O ATOM 590 CB LYS A 55 6.206 -2.586 2.766 1.00 0.00 C ATOM 591 CG LYS A 55 7.408 -2.235 3.687 1.00 0.00 C ATOM 592 CD LYS A 55 7.699 -3.265 4.818 1.00 0.00 C ATOM 593 CE LYS A 55 9.095 -3.942 4.659 1.00 0.00 C ATOM 594 NZ LYS A 55 9.128 -4.890 3.521 1.00 0.00 N ATOM 0 H LYS A 55 5.446 -0.372 3.707 1.00 0.00 H new ATOM 0 HA LYS A 55 4.068 -2.586 2.451 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.267 -3.651 2.543 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.350 -2.054 1.826 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.301 -2.135 3.070 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.224 -1.262 4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.649 -2.763 5.784 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.924 -4.031 4.816 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.855 -3.175 4.513 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.348 -4.471 5.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.074 -5.317 3.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.421 -5.638 3.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.912 -4.382 2.640 1.00 0.00 H new ATOM 608 N LYS A 56 4.666 -2.676 5.654 1.00 0.00 N ATOM 609 CA LYS A 56 4.240 -3.378 6.874 1.00 0.00 C ATOM 610 C LYS A 56 3.034 -2.730 7.530 1.00 0.00 C ATOM 611 O LYS A 56 2.506 -3.330 8.453 1.00 0.00 O ATOM 612 CB LYS A 56 5.439 -3.542 7.846 1.00 0.00 C ATOM 613 CG LYS A 56 5.989 -2.205 8.426 1.00 0.00 C ATOM 614 CD LYS A 56 7.399 -2.384 9.061 1.00 0.00 C ATOM 615 CE LYS A 56 7.383 -3.171 10.406 1.00 0.00 C ATOM 616 NZ LYS A 56 8.467 -4.179 10.454 1.00 0.00 N ATOM 0 H LYS A 56 5.208 -1.828 5.821 1.00 0.00 H new ATOM 0 HA LYS A 56 3.906 -4.375 6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.135 -4.184 8.673 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.246 -4.056 7.324 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.040 -1.459 7.633 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.298 -1.824 9.178 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.044 -2.905 8.353 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.839 -1.401 9.230 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.494 -2.475 11.238 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.419 -3.665 10.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.430 -4.686 11.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.346 -4.856 9.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.387 -3.704 10.361 1.00 0.00 H new ATOM 630 N LEU A 57 2.579 -1.530 7.091 1.00 0.00 N ATOM 631 CA LEU A 57 1.380 -0.881 7.642 1.00 0.00 C ATOM 632 C LEU A 57 0.247 -0.847 6.625 1.00 0.00 C ATOM 633 O LEU A 57 -0.900 -1.012 7.012 1.00 0.00 O ATOM 634 CB LEU A 57 1.749 0.584 8.012 1.00 0.00 C ATOM 635 CG LEU A 57 0.897 1.240 9.141 1.00 0.00 C ATOM 636 CD1 LEU A 57 1.246 2.751 9.228 1.00 0.00 C ATOM 637 CD2 LEU A 57 -0.635 1.089 8.950 1.00 0.00 C ATOM 0 H LEU A 57 3.034 -0.995 6.351 1.00 0.00 H new ATOM 0 HA LEU A 57 1.046 -1.446 8.512 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.796 0.609 8.314 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.661 1.197 7.115 1.00 0.00 H new ATOM 0 HG LEU A 57 1.149 0.712 10.061 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.654 3.216 10.016 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.306 2.867 9.454 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.024 3.231 8.275 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.154 1.572 9.778 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.933 1.557 8.012 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.896 0.031 8.926 1.00 0.00 H new ATOM 649 N GLY A 58 0.512 -0.623 5.314 1.00 0.00 N ATOM 650 CA GLY A 58 -0.560 -0.553 4.323 1.00 0.00 C ATOM 651 C GLY A 58 -0.784 -1.931 3.765 1.00 0.00 C ATOM 652 O GLY A 58 -1.832 -2.499 4.022 1.00 0.00 O ATOM 0 H GLY A 58 1.449 -0.491 4.934 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.475 -0.176 4.780 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.294 0.140 3.525 1.00 0.00 H new ATOM 656 N ALA A 59 0.196 -2.476 3.011 1.00 0.00 N ATOM 657 CA ALA A 59 0.101 -3.839 2.503 1.00 0.00 C ATOM 658 C ALA A 59 0.880 -4.731 3.449 1.00 0.00 C ATOM 659 O ALA A 59 1.180 -4.267 4.536 1.00 0.00 O ATOM 660 CB ALA A 59 0.627 -3.855 1.043 1.00 0.00 C ATOM 0 H ALA A 59 1.052 -1.987 2.749 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.922 -4.214 2.467 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.564 -4.868 0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.022 -3.186 0.431 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.665 -3.523 1.027 1.00 0.00 H new ATOM 666 N ALA A 60 1.218 -5.991 3.075 1.00 0.00 N ATOM 667 CA ALA A 60 1.864 -6.930 3.998 1.00 0.00 C ATOM 668 C ALA A 60 2.872 -7.740 3.211 1.00 0.00 C ATOM 669 O ALA A 60 2.743 -8.948 3.092 1.00 0.00 O ATOM 670 CB ALA A 60 0.815 -7.825 4.729 1.00 0.00 C ATOM 0 H ALA A 60 1.051 -6.369 2.143 1.00 0.00 H new ATOM 0 HA ALA A 60 2.382 -6.387 4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.328 -8.509 5.405 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.133 -7.194 5.300 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.250 -8.398 3.994 1.00 0.00 H new ATOM 676 N GLY A 61 3.902 -7.066 2.655 1.00 0.00 N ATOM 677 CA GLY A 61 4.947 -7.762 1.912 1.00 0.00 C ATOM 678 C GLY A 61 5.063 -7.109 0.562 1.00 0.00 C ATOM 679 O GLY A 61 4.301 -7.496 -0.309 1.00 0.00 O ATOM 0 H GLY A 61 4.022 -6.055 2.711 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.896 -7.708 2.446 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.701 -8.819 1.806 1.00 0.00 H new ATOM 683 N VAL A 62 5.978 -6.125 0.378 1.00 0.00 N ATOM 684 CA VAL A 62 6.122 -5.480 -0.925 1.00 0.00 C ATOM 685 C VAL A 62 7.500 -5.757 -1.445 1.00 0.00 C ATOM 686 O VAL A 62 8.332 -6.264 -0.710 1.00 0.00 O ATOM 687 CB VAL A 62 5.818 -3.948 -0.892 1.00 0.00 C ATOM 688 CG1 VAL A 62 4.589 -3.673 0.015 1.00 0.00 C ATOM 689 CG2 VAL A 62 7.064 -3.097 -0.521 1.00 0.00 C ATOM 0 H VAL A 62 6.606 -5.777 1.102 1.00 0.00 H new ATOM 0 HA VAL A 62 5.376 -5.902 -1.599 1.00 0.00 H new ATOM 0 HB VAL A 62 5.561 -3.626 -1.901 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.383 -2.603 0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.721 -4.203 -0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.799 -4.020 1.027 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.794 -2.041 -0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.422 -3.387 0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.851 -3.265 -1.256 1.00 0.00 H new ATOM 699 N VAL A 63 7.731 -5.416 -2.730 1.00 0.00 N ATOM 700 CA VAL A 63 9.028 -5.627 -3.354 1.00 0.00 C ATOM 701 C VAL A 63 9.330 -4.330 -4.066 1.00 0.00 C ATOM 702 O VAL A 63 8.382 -3.723 -4.540 1.00 0.00 O ATOM 703 CB VAL A 63 9.025 -6.895 -4.271 1.00 0.00 C ATOM 704 CG1 VAL A 63 7.710 -7.716 -4.133 1.00 0.00 C ATOM 705 CG2 VAL A 63 9.291 -6.559 -5.763 1.00 0.00 C ATOM 0 H VAL A 63 7.032 -4.996 -3.343 1.00 0.00 H new ATOM 0 HA VAL A 63 9.819 -5.848 -2.637 1.00 0.00 H new ATOM 0 HB VAL A 63 9.853 -7.510 -3.918 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.754 -8.586 -4.788 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.593 -8.045 -3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.861 -7.093 -4.414 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.277 -7.477 -6.351 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.517 -5.883 -6.127 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.266 -6.081 -5.860 1.00 0.00 H new ATOM 715 N VAL A 64 10.610 -3.895 -4.129 1.00 0.00 N ATOM 716 CA VAL A 64 10.941 -2.619 -4.756 1.00 0.00 C ATOM 717 C VAL A 64 11.887 -2.951 -5.888 1.00 0.00 C ATOM 718 O VAL A 64 12.850 -3.655 -5.629 1.00 0.00 O ATOM 719 CB VAL A 64 11.578 -1.652 -3.718 1.00 0.00 C ATOM 720 CG1 VAL A 64 11.747 -0.237 -4.333 1.00 0.00 C ATOM 721 CG2 VAL A 64 10.737 -1.569 -2.413 1.00 0.00 C ATOM 0 H VAL A 64 11.410 -4.407 -3.757 1.00 0.00 H new ATOM 0 HA VAL A 64 10.059 -2.104 -5.136 1.00 0.00 H new ATOM 0 HB VAL A 64 12.558 -2.052 -3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.194 0.429 -3.595 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.394 -0.296 -5.208 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.772 0.150 -4.628 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.216 -0.883 -1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.736 -1.207 -2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.668 -2.558 -1.961 1.00 0.00 H new ATOM 731 N ALA A 65 11.628 -2.476 -7.129 1.00 0.00 N ATOM 732 CA ALA A 65 12.457 -2.858 -8.272 1.00 0.00 C ATOM 733 C ALA A 65 12.667 -1.630 -9.126 1.00 0.00 C ATOM 734 O ALA A 65 11.771 -1.348 -9.902 1.00 0.00 O ATOM 735 CB ALA A 65 11.699 -3.959 -9.060 1.00 0.00 C ATOM 0 H ALA A 65 10.863 -1.839 -7.352 1.00 0.00 H new ATOM 0 HA ALA A 65 13.428 -3.244 -7.963 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.294 -4.265 -9.921 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.529 -4.819 -8.412 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.741 -3.567 -9.402 1.00 0.00 H new ATOM 741 N GLY A 66 13.803 -0.896 -9.002 1.00 0.00 N ATOM 742 CA GLY A 66 13.993 0.338 -9.771 1.00 0.00 C ATOM 743 C GLY A 66 13.314 0.260 -11.121 1.00 0.00 C ATOM 744 O GLY A 66 13.768 -0.556 -11.906 1.00 0.00 O ATOM 0 H GLY A 66 14.580 -1.139 -8.388 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.594 1.183 -9.210 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.059 0.522 -9.909 1.00 0.00 H new ATOM 748 N SER A 67 12.237 1.053 -11.369 1.00 0.00 N ATOM 749 CA SER A 67 11.347 0.869 -12.525 1.00 0.00 C ATOM 750 C SER A 67 9.961 0.471 -12.049 1.00 0.00 C ATOM 751 O SER A 67 9.034 0.565 -12.840 1.00 0.00 O ATOM 752 CB SER A 67 11.770 -0.116 -13.650 1.00 0.00 C ATOM 753 OG SER A 67 12.962 0.321 -14.320 1.00 0.00 O ATOM 0 H SER A 67 11.970 1.833 -10.769 1.00 0.00 H new ATOM 0 HA SER A 67 11.392 1.848 -13.002 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.934 -1.106 -13.224 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.960 -0.211 -14.373 1.00 0.00 H new ATOM 0 HG SER A 67 13.733 0.203 -13.726 1.00 0.00 H new ATOM 759 N GLY A 68 9.761 0.015 -10.786 1.00 0.00 N ATOM 760 CA GLY A 68 8.417 -0.359 -10.348 1.00 0.00 C ATOM 761 C GLY A 68 8.420 -0.869 -8.928 1.00 0.00 C ATOM 762 O GLY A 68 9.495 -0.999 -8.363 1.00 0.00 O ATOM 0 H GLY A 68 10.493 -0.096 -10.084 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.755 0.504 -10.424 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.018 -1.127 -11.011 1.00 0.00 H new ATOM 766 N VAL A 69 7.233 -1.155 -8.338 1.00 0.00 N ATOM 767 CA VAL A 69 7.153 -1.541 -6.924 1.00 0.00 C ATOM 768 C VAL A 69 5.923 -2.402 -6.744 1.00 0.00 C ATOM 769 O VAL A 69 4.828 -1.865 -6.796 1.00 0.00 O ATOM 770 CB VAL A 69 7.010 -0.330 -5.965 1.00 0.00 C ATOM 771 CG1 VAL A 69 7.104 -0.807 -4.483 1.00 0.00 C ATOM 772 CG2 VAL A 69 8.060 0.756 -6.291 1.00 0.00 C ATOM 0 H VAL A 69 6.334 -1.124 -8.819 1.00 0.00 H new ATOM 0 HA VAL A 69 8.081 -2.058 -6.678 1.00 0.00 H new ATOM 0 HB VAL A 69 6.029 0.123 -6.108 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.003 0.050 -3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.306 -1.521 -4.279 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.069 -1.284 -4.315 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.940 1.595 -5.606 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.061 0.339 -6.182 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.920 1.101 -7.315 1.00 0.00 H new ATOM 782 N GLN A 70 6.073 -3.723 -6.518 1.00 0.00 N ATOM 783 CA GLN A 70 4.908 -4.578 -6.330 1.00 0.00 C ATOM 784 C GLN A 70 4.572 -4.572 -4.866 1.00 0.00 C ATOM 785 O GLN A 70 5.506 -4.454 -4.092 1.00 0.00 O ATOM 786 CB GLN A 70 5.163 -5.959 -6.991 1.00 0.00 C ATOM 787 CG GLN A 70 4.102 -7.041 -6.656 1.00 0.00 C ATOM 788 CD GLN A 70 3.865 -7.936 -7.849 1.00 0.00 C ATOM 789 OE1 GLN A 70 4.687 -8.802 -8.100 1.00 0.00 O ATOM 790 NE2 GLN A 70 2.757 -7.752 -8.604 1.00 0.00 N ATOM 0 H GLN A 70 6.972 -4.202 -6.464 1.00 0.00 H new ATOM 0 HA GLN A 70 4.014 -4.217 -6.837 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.201 -5.828 -8.072 1.00 0.00 H new ATOM 0 HB3 GLN A 70 6.143 -6.321 -6.680 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.437 -7.637 -5.807 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.168 -6.564 -6.361 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.092 -7.017 -8.363 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.587 -8.348 -9.414 1.00 0.00 H new ATOM 799 N ALA A 71 3.276 -4.684 -4.478 1.00 0.00 N ATOM 800 CA ALA A 71 2.885 -4.660 -3.077 1.00 0.00 C ATOM 801 C ALA A 71 1.943 -5.822 -2.856 1.00 0.00 C ATOM 802 O ALA A 71 1.248 -6.164 -3.799 1.00 0.00 O ATOM 803 CB ALA A 71 2.447 -3.237 -2.616 1.00 0.00 C ATOM 0 H ALA A 71 2.497 -4.791 -5.128 1.00 0.00 H new ATOM 0 HA ALA A 71 3.718 -4.828 -2.394 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.164 -3.267 -1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.275 -2.540 -2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.596 -2.907 -3.212 1.00 0.00 H new ATOM 809 N ILE A 72 1.937 -6.480 -1.671 1.00 0.00 N ATOM 810 CA ILE A 72 1.195 -7.736 -1.521 1.00 0.00 C ATOM 811 C ILE A 72 0.698 -7.804 -0.096 1.00 0.00 C ATOM 812 O ILE A 72 1.401 -7.249 0.732 1.00 0.00 O ATOM 813 CB ILE A 72 2.090 -8.958 -1.932 1.00 0.00 C ATOM 814 CG1 ILE A 72 1.622 -9.730 -3.214 1.00 0.00 C ATOM 815 CG2 ILE A 72 2.291 -9.982 -0.780 1.00 0.00 C ATOM 816 CD1 ILE A 72 2.487 -9.391 -4.455 1.00 0.00 C ATOM 0 H ILE A 72 2.426 -6.166 -0.833 1.00 0.00 H new ATOM 0 HA ILE A 72 0.334 -7.774 -2.188 1.00 0.00 H new ATOM 0 HB ILE A 72 3.040 -8.479 -2.170 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.666 -10.803 -3.026 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.580 -9.486 -3.422 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.918 -10.803 -1.128 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.773 -9.490 0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.323 -10.373 -0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.123 -9.951 -5.316 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.422 -8.323 -4.663 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.525 -9.661 -4.260 1.00 0.00 H new ATOM 828 N PHE A 73 -0.455 -8.447 0.226 1.00 0.00 N ATOM 829 CA PHE A 73 -0.919 -8.453 1.614 1.00 0.00 C ATOM 830 C PHE A 73 -1.453 -9.793 2.051 1.00 0.00 C ATOM 831 O PHE A 73 -2.516 -9.861 2.644 1.00 0.00 O ATOM 832 CB PHE A 73 -1.839 -7.249 1.960 1.00 0.00 C ATOM 833 CG PHE A 73 -3.067 -7.066 1.054 1.00 0.00 C ATOM 834 CD1 PHE A 73 -2.900 -6.678 -0.280 1.00 0.00 C ATOM 835 CD2 PHE A 73 -4.363 -7.246 1.557 1.00 0.00 C ATOM 836 CE1 PHE A 73 -4.016 -6.496 -1.105 1.00 0.00 C ATOM 837 CE2 PHE A 73 -5.478 -7.040 0.740 1.00 0.00 C ATOM 838 CZ PHE A 73 -5.306 -6.657 -0.594 1.00 0.00 C ATOM 0 H PHE A 73 -1.050 -8.945 -0.435 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.032 -8.298 2.228 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -2.183 -7.362 2.988 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.243 -6.337 1.921 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.907 -6.519 -0.674 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.501 -7.547 2.585 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.879 -6.230 -2.143 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -6.472 -7.177 1.139 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.166 -6.487 -1.225 1.00 0.00 H new ATOM 848 N GLY A 74 -0.686 -10.873 1.786 1.00 0.00 N ATOM 849 CA GLY A 74 -1.047 -12.193 2.288 1.00 0.00 C ATOM 850 C GLY A 74 -0.574 -12.378 3.709 1.00 0.00 C ATOM 851 O GLY A 74 -1.276 -13.022 4.475 1.00 0.00 O ATOM 0 H GLY A 74 0.172 -10.847 1.235 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.128 -12.321 2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.607 -12.961 1.652 1.00 0.00 H new ATOM 855 N THR A 75 0.616 -11.842 4.076 1.00 0.00 N ATOM 856 CA THR A 75 1.142 -12.082 5.421 1.00 0.00 C ATOM 857 C THR A 75 0.349 -11.250 6.405 1.00 0.00 C ATOM 858 O THR A 75 0.744 -10.123 6.653 1.00 0.00 O ATOM 859 CB THR A 75 2.675 -11.833 5.569 1.00 0.00 C ATOM 860 OG1 THR A 75 3.049 -10.448 5.451 1.00 0.00 O ATOM 861 CG2 THR A 75 3.509 -12.692 4.585 1.00 0.00 C ATOM 0 H THR A 75 1.204 -11.263 3.477 1.00 0.00 H new ATOM 0 HA THR A 75 1.021 -13.145 5.632 1.00 0.00 H new ATOM 0 HB THR A 75 2.907 -12.145 6.588 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.870 -10.137 4.539 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.569 -12.482 4.727 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.320 -13.749 4.774 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.226 -12.450 3.561 1.00 0.00 H new ATOM 869 N LYS A 76 -0.757 -11.792 6.977 1.00 0.00 N ATOM 870 CA LYS A 76 -1.565 -11.052 7.954 1.00 0.00 C ATOM 871 C LYS A 76 -2.587 -10.161 7.259 1.00 0.00 C ATOM 872 O LYS A 76 -2.924 -9.124 7.807 1.00 0.00 O ATOM 873 CB LYS A 76 -0.693 -10.309 9.019 1.00 0.00 C ATOM 874 CG LYS A 76 -1.274 -10.368 10.466 1.00 0.00 C ATOM 875 CD LYS A 76 -0.632 -11.469 11.367 1.00 0.00 C ATOM 876 CE LYS A 76 0.549 -10.904 12.213 1.00 0.00 C ATOM 877 NZ LYS A 76 1.188 -11.934 13.063 1.00 0.00 N ATOM 0 H LYS A 76 -1.099 -12.731 6.774 1.00 0.00 H new ATOM 0 HA LYS A 76 -2.137 -11.779 8.531 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.307 -10.743 9.022 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.587 -9.265 8.723 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.134 -9.397 10.942 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.348 -10.543 10.408 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.390 -11.883 12.031 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.274 -12.287 10.742 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.296 -10.475 11.545 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.183 -10.094 12.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.966 -11.504 13.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.485 -12.326 13.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.563 -12.696 12.463 1.00 0.00 H new ATOM 891 N SER A 77 -3.102 -10.541 6.060 1.00 0.00 N ATOM 892 CA SER A 77 -4.078 -9.710 5.344 1.00 0.00 C ATOM 893 C SER A 77 -5.087 -9.063 6.268 1.00 0.00 C ATOM 894 O SER A 77 -5.223 -7.851 6.240 1.00 0.00 O ATOM 895 CB SER A 77 -4.900 -10.469 4.250 1.00 0.00 C ATOM 896 OG SER A 77 -4.319 -11.723 3.857 1.00 0.00 O ATOM 0 H SER A 77 -2.855 -11.408 5.582 1.00 0.00 H new ATOM 0 HA SER A 77 -3.446 -8.962 4.865 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.908 -10.647 4.624 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.994 -9.831 3.371 1.00 0.00 H new ATOM 0 HG SER A 77 -4.954 -12.217 3.298 1.00 0.00 H new ATOM 902 N ASP A 78 -5.815 -9.866 7.080 1.00 0.00 N ATOM 903 CA ASP A 78 -6.860 -9.294 7.927 1.00 0.00 C ATOM 904 C ASP A 78 -6.323 -8.164 8.779 1.00 0.00 C ATOM 905 O ASP A 78 -6.993 -7.150 8.893 1.00 0.00 O ATOM 906 CB ASP A 78 -7.501 -10.364 8.849 1.00 0.00 C ATOM 907 CG ASP A 78 -8.385 -11.293 8.050 1.00 0.00 C ATOM 908 OD1 ASP A 78 -9.453 -10.823 7.570 1.00 0.00 O ATOM 909 OD2 ASP A 78 -8.027 -12.492 7.889 1.00 0.00 O ATOM 0 H ASP A 78 -5.697 -10.876 7.159 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.624 -8.904 7.254 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.720 -10.937 9.349 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.087 -9.877 9.628 1.00 0.00 H new ATOM 914 N ASN A 79 -5.126 -8.316 9.387 1.00 0.00 N ATOM 915 CA ASN A 79 -4.589 -7.240 10.223 1.00 0.00 C ATOM 916 C ASN A 79 -4.380 -5.973 9.425 1.00 0.00 C ATOM 917 O ASN A 79 -4.725 -4.901 9.895 1.00 0.00 O ATOM 918 CB ASN A 79 -3.211 -7.621 10.821 1.00 0.00 C ATOM 919 CG ASN A 79 -2.583 -6.497 11.613 1.00 0.00 C ATOM 920 OD1 ASN A 79 -3.304 -5.786 12.296 1.00 0.00 O ATOM 921 ND2 ASN A 79 -1.244 -6.318 11.551 1.00 0.00 N ATOM 0 H ASN A 79 -4.537 -9.146 9.315 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.322 -7.082 11.014 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.329 -8.492 11.466 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.538 -7.911 10.014 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.804 -5.569 12.086 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.674 -6.932 10.969 1.00 0.00 H new ATOM 928 N LEU A 80 -3.796 -6.071 8.213 1.00 0.00 N ATOM 929 CA LEU A 80 -3.531 -4.857 7.443 1.00 0.00 C ATOM 930 C LEU A 80 -4.853 -4.284 6.992 1.00 0.00 C ATOM 931 O LEU A 80 -5.080 -3.092 7.122 1.00 0.00 O ATOM 932 CB LEU A 80 -2.643 -5.133 6.203 1.00 0.00 C ATOM 933 CG LEU A 80 -1.129 -5.275 6.526 1.00 0.00 C ATOM 934 CD1 LEU A 80 -0.456 -3.939 6.929 1.00 0.00 C ATOM 935 CD2 LEU A 80 -0.817 -6.374 7.573 1.00 0.00 C ATOM 0 H LEU A 80 -3.512 -6.944 7.768 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.992 -4.156 8.080 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.988 -6.047 5.719 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.776 -4.323 5.486 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.690 -5.593 5.580 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.599 -4.112 7.140 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.550 -3.223 6.112 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.943 -3.540 7.819 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.258 -6.415 7.748 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.328 -6.142 8.507 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.161 -7.339 7.201 1.00 0.00 H new ATOM 947 N LYS A 81 -5.740 -5.146 6.457 1.00 0.00 N ATOM 948 CA LYS A 81 -7.062 -4.690 6.046 1.00 0.00 C ATOM 949 C LYS A 81 -7.781 -4.077 7.234 1.00 0.00 C ATOM 950 O LYS A 81 -8.551 -3.155 7.026 1.00 0.00 O ATOM 951 CB LYS A 81 -7.835 -5.891 5.442 1.00 0.00 C ATOM 952 CG LYS A 81 -9.181 -5.486 4.793 1.00 0.00 C ATOM 953 CD LYS A 81 -9.817 -6.678 4.022 1.00 0.00 C ATOM 954 CE LYS A 81 -9.953 -7.962 4.888 1.00 0.00 C ATOM 955 NZ LYS A 81 -10.791 -8.988 4.224 1.00 0.00 N ATOM 0 H LYS A 81 -5.562 -6.139 6.306 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.988 -3.916 5.282 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.210 -6.378 4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.023 -6.625 6.226 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.869 -5.140 5.564 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.022 -4.652 4.110 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.803 -6.385 3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.209 -6.901 3.145 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.963 -8.374 5.086 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.390 -7.705 5.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.858 -9.829 4.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.743 -8.604 4.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.361 -9.252 3.315 1.00 0.00 H new ATOM 969 N THR A 82 -7.536 -4.546 8.482 1.00 0.00 N ATOM 970 CA THR A 82 -8.077 -3.865 9.663 1.00 0.00 C ATOM 971 C THR A 82 -7.488 -2.471 9.733 1.00 0.00 C ATOM 972 O THR A 82 -8.223 -1.530 9.991 1.00 0.00 O ATOM 973 CB THR A 82 -7.819 -4.645 10.993 1.00 0.00 C ATOM 974 OG1 THR A 82 -8.789 -5.690 11.176 1.00 0.00 O ATOM 975 CG2 THR A 82 -7.756 -3.738 12.253 1.00 0.00 C ATOM 0 H THR A 82 -6.979 -5.376 8.685 1.00 0.00 H new ATOM 0 HA THR A 82 -9.160 -3.814 9.555 1.00 0.00 H new ATOM 0 HB THR A 82 -6.828 -5.086 10.885 1.00 0.00 H new ATOM 0 HG1 THR A 82 -8.605 -6.164 12.014 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.574 -4.352 13.135 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.948 -3.016 12.141 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.702 -3.209 12.368 1.00 0.00 H new ATOM 983 N GLU A 83 -6.165 -2.298 9.516 1.00 0.00 N ATOM 984 CA GLU A 83 -5.600 -0.949 9.550 1.00 0.00 C ATOM 985 C GLU A 83 -6.249 -0.115 8.462 1.00 0.00 C ATOM 986 O GLU A 83 -6.529 1.051 8.698 1.00 0.00 O ATOM 987 CB GLU A 83 -4.054 -0.920 9.382 1.00 0.00 C ATOM 988 CG GLU A 83 -3.312 -1.683 10.512 1.00 0.00 C ATOM 989 CD GLU A 83 -3.654 -1.116 11.867 1.00 0.00 C ATOM 990 OE1 GLU A 83 -3.149 -0.004 12.188 1.00 0.00 O ATOM 991 OE2 GLU A 83 -4.432 -1.769 12.616 1.00 0.00 O ATOM 0 H GLU A 83 -5.500 -3.047 9.324 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.809 -0.538 10.537 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.789 -1.358 8.420 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.714 0.116 9.365 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.580 -2.739 10.478 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.236 -1.622 10.350 1.00 0.00 H new ATOM 998 N MET A 84 -6.511 -0.685 7.261 1.00 0.00 N ATOM 999 CA MET A 84 -7.181 0.095 6.223 1.00 0.00 C ATOM 1000 C MET A 84 -8.595 0.397 6.675 1.00 0.00 C ATOM 1001 O MET A 84 -9.044 1.517 6.490 1.00 0.00 O ATOM 1002 CB MET A 84 -7.227 -0.611 4.840 1.00 0.00 C ATOM 1003 CG MET A 84 -5.810 -0.916 4.284 1.00 0.00 C ATOM 1004 SD MET A 84 -5.980 -1.581 2.594 1.00 0.00 S ATOM 1005 CE MET A 84 -4.274 -2.129 2.289 1.00 0.00 C ATOM 0 H MET A 84 -6.275 -1.644 7.004 1.00 0.00 H new ATOM 0 HA MET A 84 -6.598 1.006 6.086 1.00 0.00 H new ATOM 0 HB2 MET A 84 -7.788 -1.542 4.929 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.765 0.019 4.131 1.00 0.00 H new ATOM 0 HG2 MET A 84 -5.204 -0.010 4.275 1.00 0.00 H new ATOM 0 HG3 MET A 84 -5.299 -1.635 4.924 1.00 0.00 H new ATOM 0 HE1 MET A 84 -4.151 -2.364 1.232 1.00 0.00 H new ATOM 0 HE2 MET A 84 -3.581 -1.335 2.567 1.00 0.00 H new ATOM 0 HE3 MET A 84 -4.065 -3.018 2.885 1.00 0.00 H new ATOM 1015 N ASP A 85 -9.314 -0.583 7.276 1.00 0.00 N ATOM 1016 CA ASP A 85 -10.671 -0.327 7.756 1.00 0.00 C ATOM 1017 C ASP A 85 -10.646 0.931 8.595 1.00 0.00 C ATOM 1018 O ASP A 85 -11.406 1.847 8.321 1.00 0.00 O ATOM 1019 CB ASP A 85 -11.274 -1.500 8.576 1.00 0.00 C ATOM 1020 CG ASP A 85 -12.652 -1.148 9.083 1.00 0.00 C ATOM 1021 OD1 ASP A 85 -13.545 -0.881 8.235 1.00 0.00 O ATOM 1022 OD2 ASP A 85 -12.851 -1.133 10.329 1.00 0.00 O ATOM 0 H ASP A 85 -8.976 -1.533 7.432 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.314 -0.213 6.884 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.328 -2.394 7.955 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.621 -1.735 9.417 1.00 0.00 H new ATOM 1027 N GLU A 86 -9.748 0.981 9.608 1.00 0.00 N ATOM 1028 CA GLU A 86 -9.617 2.180 10.437 1.00 0.00 C ATOM 1029 C GLU A 86 -9.523 3.408 9.561 1.00 0.00 C ATOM 1030 O GLU A 86 -10.244 4.352 9.831 1.00 0.00 O ATOM 1031 CB GLU A 86 -8.376 2.128 11.382 1.00 0.00 C ATOM 1032 CG GLU A 86 -8.735 1.631 12.812 1.00 0.00 C ATOM 1033 CD GLU A 86 -9.129 2.805 13.678 1.00 0.00 C ATOM 1034 OE1 GLU A 86 -10.318 3.224 13.629 1.00 0.00 O ATOM 1035 OE2 GLU A 86 -8.243 3.328 14.410 1.00 0.00 O ATOM 0 H GLU A 86 -9.121 0.217 9.859 1.00 0.00 H new ATOM 0 HA GLU A 86 -10.507 2.226 11.064 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.622 1.469 10.951 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.931 3.121 11.447 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.554 0.913 12.763 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.883 1.113 13.252 1.00 0.00 H new ATOM 1042 N TYR A 87 -8.651 3.429 8.528 1.00 0.00 N ATOM 1043 CA TYR A 87 -8.558 4.614 7.663 1.00 0.00 C ATOM 1044 C TYR A 87 -9.940 5.081 7.263 1.00 0.00 C ATOM 1045 O TYR A 87 -10.310 6.195 7.602 1.00 0.00 O ATOM 1046 CB TYR A 87 -7.653 4.406 6.402 1.00 0.00 C ATOM 1047 CG TYR A 87 -8.225 4.843 5.030 1.00 0.00 C ATOM 1048 CD1 TYR A 87 -8.810 6.103 4.840 1.00 0.00 C ATOM 1049 CD2 TYR A 87 -8.158 3.972 3.936 1.00 0.00 C ATOM 1050 CE1 TYR A 87 -9.334 6.482 3.599 1.00 0.00 C ATOM 1051 CE2 TYR A 87 -8.658 4.358 2.682 1.00 0.00 C ATOM 1052 CZ TYR A 87 -9.274 5.595 2.514 1.00 0.00 C ATOM 1053 OH TYR A 87 -9.825 5.929 1.269 1.00 0.00 O ATOM 0 H TYR A 87 -8.023 2.664 8.282 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.068 5.388 8.254 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -6.720 4.946 6.565 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -7.402 3.347 6.340 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -8.857 6.795 5.668 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.717 2.994 4.058 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -9.784 7.456 3.477 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -8.564 3.689 1.840 1.00 0.00 H new ATOM 0 HH TYR A 87 -9.686 5.190 0.641 1.00 0.00 H new ATOM 1063 N ILE A 88 -10.715 4.254 6.525 1.00 0.00 N ATOM 1064 CA ILE A 88 -11.987 4.748 5.993 1.00 0.00 C ATOM 1065 C ILE A 88 -12.859 5.181 7.151 1.00 0.00 C ATOM 1066 O ILE A 88 -13.441 6.253 7.086 1.00 0.00 O ATOM 1067 CB ILE A 88 -12.768 3.751 5.076 1.00 0.00 C ATOM 1068 CG1 ILE A 88 -11.847 3.089 4.000 1.00 0.00 C ATOM 1069 CG2 ILE A 88 -13.946 4.494 4.379 1.00 0.00 C ATOM 1070 CD1 ILE A 88 -11.545 1.597 4.306 1.00 0.00 C ATOM 0 H ILE A 88 -10.489 3.286 6.296 1.00 0.00 H new ATOM 0 HA ILE A 88 -11.736 5.581 5.337 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.152 2.952 5.711 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -12.324 3.166 3.023 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.909 3.641 3.942 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -14.489 3.797 3.740 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.621 4.895 5.135 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.553 5.311 3.773 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -10.902 1.189 3.527 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.042 1.518 5.270 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -12.479 1.036 4.337 1.00 0.00 H new ATOM 1082 N ARG A 89 -12.959 4.371 8.228 1.00 0.00 N ATOM 1083 CA ARG A 89 -13.798 4.768 9.360 1.00 0.00 C ATOM 1084 C ARG A 89 -13.291 6.052 9.997 1.00 0.00 C ATOM 1085 O ARG A 89 -14.092 6.823 10.504 1.00 0.00 O ATOM 1086 CB ARG A 89 -13.908 3.641 10.427 1.00 0.00 C ATOM 1087 CG ARG A 89 -14.385 2.286 9.815 1.00 0.00 C ATOM 1088 CD ARG A 89 -15.482 1.563 10.647 1.00 0.00 C ATOM 1089 NE ARG A 89 -15.098 1.488 12.062 1.00 0.00 N ATOM 1090 CZ ARG A 89 -15.585 2.247 13.033 1.00 0.00 C ATOM 1091 NH1 ARG A 89 -16.468 3.203 12.865 1.00 0.00 N ATOM 1092 NH2 ARG A 89 -15.146 2.030 14.255 1.00 0.00 N ATOM 0 H ARG A 89 -12.486 3.473 8.330 1.00 0.00 H new ATOM 0 HA ARG A 89 -14.797 4.949 8.964 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -12.938 3.500 10.904 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -14.604 3.949 11.207 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -14.767 2.468 8.811 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -13.526 1.623 9.714 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -16.428 2.095 10.550 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -15.640 0.558 10.254 1.00 0.00 H new ATOM 0 HE ARG A 89 -14.397 0.793 12.319 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -16.829 3.406 11.933 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -16.793 3.743 13.667 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -14.456 1.299 14.427 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -15.496 2.593 15.030 1.00 0.00 H new ATOM 1106 N ASN A 90 -11.960 6.295 9.974 1.00 0.00 N ATOM 1107 CA ASN A 90 -11.385 7.529 10.514 1.00 0.00 C ATOM 1108 C ASN A 90 -11.574 8.683 9.554 1.00 0.00 C ATOM 1109 O ASN A 90 -11.517 9.818 10.002 1.00 0.00 O ATOM 1110 CB ASN A 90 -9.871 7.326 10.807 1.00 0.00 C ATOM 1111 CG ASN A 90 -9.222 8.559 11.394 1.00 0.00 C ATOM 1112 OD1 ASN A 90 -9.302 8.748 12.598 1.00 0.00 O ATOM 1113 ND2 ASN A 90 -8.573 9.420 10.575 1.00 0.00 N ATOM 0 H ASN A 90 -11.273 5.648 9.586 1.00 0.00 H new ATOM 0 HA ASN A 90 -11.904 7.769 11.442 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -9.747 6.491 11.497 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -9.359 7.055 9.884 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -8.133 10.256 10.960 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -8.524 9.233 9.574 1.00 0.00 H new