USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 937 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 60 LYS NZ :NH3+ 147:sc= 0.754 (180deg=0.232) USER MOD Set 1.2: A 65 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 37 TYR OH : rot 128:sc= 0.511 USER MOD Set 2.2: A 45 SER OG : rot 180:sc= 0.147 USER MOD Set 2.3: A 49 ASN : amide:sc= -1.53 X(o=-0.87,f=-1.3!) USER MOD Set 3.1: A 12 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 18 HIS : no HD1:sc= -4.22! C(o=-4.2!,f=-4.7!) USER MOD Set 4.1: A 9 GLN : amide:sc= -2.21! K(o=-2.1!,f=-4.4) USER MOD Set 4.2: A 110 LYS NZ :NH3+ -127:sc= 0.0885 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0328 X(o=-0.033,f=-0.13) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -140:sc= 0.544 (180deg=-0.0609) USER MOD Single : A 22 SER OG : rot 180:sc= -0.0481 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.0485) USER MOD Single : A 25 LYS NZ :NH3+ -132:sc=-0.00479 (180deg=-0.864) USER MOD Single : A 26 THR OG1 : rot 180:sc=-0.00819 USER MOD Single : A 31 ASN :FLIP amide:sc= -3.14! C(o=-4!,f=-3.1!) USER MOD Single : A 33 HIS :FLIP no HE2:sc= -3.73! F(o=-5.1,f=-3.7!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.902 X(o=-0.9,f=-0.68) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0.234 USER MOD Single : A 47 LYS NZ :NH3+ -112:sc=-0.00514 (180deg=-0.075) USER MOD Single : A 48 LYS NZ :NH3+ 136:sc= -0.168 (180deg=-1.52!) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.279 F(o=-2.8,f=-0.28) USER MOD Single : A 54 SER OG : rot 180:sc= -0.0113 USER MOD Single : A 62 SER OG : rot 72:sc= 0.236 USER MOD Single : A 64 GLN : amide:sc=-0.000435 K(o=-0.00044,f=-1.4!) USER MOD Single : A 66 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.196) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 152:sc= -0.156 (180deg=-0.198) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.386 X(o=-0.39,f=0) USER MOD Single : A 79 MET CE :methyl 167:sc= -1.15 (180deg=-1.83) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0.0191 USER MOD Single : A 84 CYS SG : rot -162:sc= -8.05! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0.243 K(o=0.24,f=-7!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= 0.279 K(o=0.28,f=-0.87) USER MOD Single : A 107 MET CE :methyl -156:sc= -0.435 (180deg=-1.01) USER MOD Single : A 108 HIS :FLIP no HD1:sc= -3.93! F(o=-6.3,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 9.403 -9.741 2.030 1.00 0.00 N ATOM 38 CA ILE A 3 9.081 -8.393 1.481 1.00 0.00 C ATOM 39 C ILE A 3 9.335 -7.317 2.541 1.00 0.00 C ATOM 40 O ILE A 3 9.799 -6.235 2.242 1.00 0.00 O ATOM 41 CB ILE A 3 7.595 -8.452 1.125 1.00 0.00 C ATOM 42 CG1 ILE A 3 7.414 -9.236 -0.177 1.00 0.00 C ATOM 43 CG2 ILE A 3 7.057 -7.032 0.940 1.00 0.00 C ATOM 44 CD1 ILE A 3 5.940 -9.215 -0.584 1.00 0.00 C ATOM 0 HA ILE A 3 9.697 -8.142 0.617 1.00 0.00 H new ATOM 0 HB ILE A 3 7.049 -8.946 1.929 1.00 0.00 H new ATOM 0 HG12 ILE A 3 8.026 -8.799 -0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.751 -10.264 -0.045 1.00 0.00 H new ATOM 0 HG21 ILE A 3 5.998 -7.074 0.686 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.186 -6.471 1.865 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.603 -6.538 0.136 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.811 -9.773 -1.511 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.339 -9.672 0.202 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.618 -8.184 -0.733 1.00 0.00 H new ATOM 56 N ALA A 4 9.033 -7.606 3.775 1.00 0.00 N ATOM 57 CA ALA A 4 9.257 -6.599 4.850 1.00 0.00 C ATOM 58 C ALA A 4 10.152 -7.184 5.946 1.00 0.00 C ATOM 59 O ALA A 4 9.683 -7.803 6.881 1.00 0.00 O ATOM 60 CB ALA A 4 7.861 -6.290 5.397 1.00 0.00 C ATOM 0 H ALA A 4 8.641 -8.495 4.086 1.00 0.00 H new ATOM 0 HA ALA A 4 9.757 -5.703 4.482 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.938 -5.553 6.196 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.236 -5.893 4.597 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.413 -7.204 5.788 1.00 0.00 H new ATOM 66 N GLN A 5 11.439 -6.992 5.836 1.00 0.00 N ATOM 67 CA GLN A 5 12.368 -7.535 6.869 1.00 0.00 C ATOM 68 C GLN A 5 12.815 -6.420 7.812 1.00 0.00 C ATOM 69 O GLN A 5 13.415 -6.664 8.840 1.00 0.00 O ATOM 70 CB GLN A 5 13.559 -8.082 6.082 1.00 0.00 C ATOM 71 CG GLN A 5 14.190 -6.954 5.265 1.00 0.00 C ATOM 72 CD GLN A 5 14.015 -7.244 3.773 1.00 0.00 C ATOM 73 OE1 GLN A 5 14.432 -8.278 3.289 1.00 0.00 O ATOM 74 NE2 GLN A 5 13.410 -6.367 3.018 1.00 0.00 N ATOM 0 H GLN A 5 11.888 -6.482 5.075 1.00 0.00 H new ATOM 0 HA GLN A 5 11.900 -8.303 7.484 1.00 0.00 H new ATOM 0 HB2 GLN A 5 14.295 -8.507 6.764 1.00 0.00 H new ATOM 0 HB3 GLN A 5 13.234 -8.886 5.422 1.00 0.00 H new ATOM 0 HG2 GLN A 5 13.723 -6.002 5.518 1.00 0.00 H new ATOM 0 HG3 GLN A 5 15.249 -6.864 5.507 1.00 0.00 H new ATOM 0 HE21 GLN A 5 13.060 -5.499 3.424 1.00 0.00 H new ATOM 0 HE22 GLN A 5 13.287 -6.550 2.022 1.00 0.00 H new ATOM 83 N GLY A 6 12.528 -5.197 7.471 1.00 0.00 N ATOM 84 CA GLY A 6 12.935 -4.065 8.346 1.00 0.00 C ATOM 85 C GLY A 6 11.928 -2.923 8.204 1.00 0.00 C ATOM 86 O GLY A 6 12.195 -1.796 8.571 1.00 0.00 O ATOM 0 H GLY A 6 12.028 -4.932 6.622 1.00 0.00 H new ATOM 0 HA2 GLY A 6 12.984 -4.393 9.384 1.00 0.00 H new ATOM 0 HA3 GLY A 6 13.932 -3.721 8.073 1.00 0.00 H new ATOM 90 N LYS A 7 10.770 -3.207 7.672 1.00 0.00 N ATOM 91 CA LYS A 7 9.741 -2.140 7.505 1.00 0.00 C ATOM 92 C LYS A 7 9.096 -1.815 8.855 1.00 0.00 C ATOM 93 O LYS A 7 8.321 -0.887 8.977 1.00 0.00 O ATOM 94 CB LYS A 7 8.709 -2.733 6.547 1.00 0.00 C ATOM 95 CG LYS A 7 7.699 -1.656 6.148 1.00 0.00 C ATOM 96 CD LYS A 7 8.441 -0.425 5.622 1.00 0.00 C ATOM 97 CE LYS A 7 9.422 -0.845 4.525 1.00 0.00 C ATOM 98 NZ LYS A 7 10.182 0.393 4.193 1.00 0.00 N ATOM 0 H LYS A 7 10.492 -4.132 7.345 1.00 0.00 H new ATOM 0 HA LYS A 7 10.165 -1.211 7.123 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.206 -3.126 5.660 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.196 -3.569 7.022 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.025 -2.041 5.383 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.085 -1.384 7.006 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.729 0.300 5.228 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.977 0.064 6.435 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.087 -1.636 4.872 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.896 -1.231 3.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 10.876 0.185 3.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.524 1.126 3.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.678 0.734 5.041 1.00 0.00 H new ATOM 112 N GLY A 8 9.409 -2.574 9.870 1.00 0.00 N ATOM 113 CA GLY A 8 8.812 -2.310 11.209 1.00 0.00 C ATOM 114 C GLY A 8 7.444 -2.989 11.299 1.00 0.00 C ATOM 115 O GLY A 8 7.295 -4.027 11.913 1.00 0.00 O ATOM 0 H GLY A 8 10.052 -3.365 9.829 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.469 -2.686 11.993 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.709 -1.237 11.368 1.00 0.00 H new ATOM 119 N GLN A 9 6.443 -2.412 10.691 1.00 0.00 N ATOM 120 CA GLN A 9 5.086 -3.030 10.742 1.00 0.00 C ATOM 121 C GLN A 9 4.500 -3.153 9.331 1.00 0.00 C ATOM 122 O GLN A 9 3.426 -3.689 9.149 1.00 0.00 O ATOM 123 CB GLN A 9 4.247 -2.074 11.590 1.00 0.00 C ATOM 124 CG GLN A 9 4.146 -0.720 10.885 1.00 0.00 C ATOM 125 CD GLN A 9 4.571 0.389 11.848 1.00 0.00 C ATOM 126 OE1 GLN A 9 5.438 1.182 11.537 1.00 0.00 O ATOM 127 NE2 GLN A 9 3.993 0.481 13.015 1.00 0.00 N ATOM 0 H GLN A 9 6.505 -1.542 10.162 1.00 0.00 H new ATOM 0 HA GLN A 9 5.109 -4.036 11.161 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.251 -2.489 11.747 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.700 -1.951 12.574 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.782 -0.711 10.000 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.124 -0.550 10.546 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.265 -0.184 13.277 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.269 1.218 13.664 1.00 0.00 H new ATOM 136 N LYS A 10 5.206 -2.657 8.343 1.00 0.00 N ATOM 137 CA LYS A 10 4.725 -2.726 6.924 1.00 0.00 C ATOM 138 C LYS A 10 3.192 -2.743 6.845 1.00 0.00 C ATOM 139 O LYS A 10 2.514 -2.039 7.567 1.00 0.00 O ATOM 140 CB LYS A 10 5.317 -4.021 6.359 1.00 0.00 C ATOM 141 CG LYS A 10 4.686 -5.230 7.048 1.00 0.00 C ATOM 142 CD LYS A 10 5.663 -5.797 8.079 1.00 0.00 C ATOM 143 CE LYS A 10 5.216 -7.202 8.488 1.00 0.00 C ATOM 144 NZ LYS A 10 6.462 -7.890 8.929 1.00 0.00 N ATOM 0 H LYS A 10 6.110 -2.200 8.461 1.00 0.00 H new ATOM 0 HA LYS A 10 5.040 -1.851 6.356 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.141 -4.072 5.284 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.397 -4.031 6.506 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.755 -4.940 7.535 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.436 -5.993 6.311 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.669 -5.831 7.662 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.703 -5.148 8.954 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.481 -7.164 9.292 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.750 -7.726 7.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.454 -8.874 8.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.289 -7.396 8.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.514 -7.881 9.968 1.00 0.00 H new ATOM 158 N LEU A 11 2.642 -3.533 5.963 1.00 0.00 N ATOM 159 CA LEU A 11 1.159 -3.582 5.825 1.00 0.00 C ATOM 160 C LEU A 11 0.591 -4.837 6.490 1.00 0.00 C ATOM 161 O LEU A 11 -0.598 -4.944 6.716 1.00 0.00 O ATOM 162 CB LEU A 11 0.912 -3.622 4.317 1.00 0.00 C ATOM 163 CG LEU A 11 0.068 -2.416 3.908 1.00 0.00 C ATOM 164 CD1 LEU A 11 -0.260 -2.504 2.416 1.00 0.00 C ATOM 165 CD2 LEU A 11 -1.234 -2.408 4.715 1.00 0.00 C ATOM 0 H LEU A 11 3.157 -4.147 5.332 1.00 0.00 H new ATOM 0 HA LEU A 11 0.676 -2.731 6.305 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.861 -3.613 3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.401 -4.546 4.046 1.00 0.00 H new ATOM 0 HG LEU A 11 0.625 -1.500 4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.862 -1.643 2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.665 -2.511 1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.817 -3.420 2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.837 -1.548 4.424 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.790 -3.325 4.518 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.003 -2.346 5.778 1.00 0.00 H new ATOM 177 N CYS A 12 1.423 -5.791 6.800 1.00 0.00 N ATOM 178 CA CYS A 12 0.916 -7.034 7.444 1.00 0.00 C ATOM 179 C CYS A 12 0.900 -6.869 8.965 1.00 0.00 C ATOM 180 O CYS A 12 -0.082 -7.162 9.618 1.00 0.00 O ATOM 181 CB CYS A 12 1.898 -8.128 7.025 1.00 0.00 C ATOM 182 SG CYS A 12 1.563 -9.635 7.970 1.00 0.00 S ATOM 0 H CYS A 12 2.429 -5.764 6.636 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.104 -7.272 7.142 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.803 -8.327 5.958 1.00 0.00 H new ATOM 0 HB3 CYS A 12 2.922 -7.798 7.198 1.00 0.00 H new ATOM 0 HG CYS A 12 2.397 -10.566 7.612 1.00 0.00 H new ATOM 188 N GLU A 13 1.972 -6.392 9.535 1.00 0.00 N ATOM 189 CA GLU A 13 1.998 -6.202 11.012 1.00 0.00 C ATOM 190 C GLU A 13 0.710 -5.510 11.461 1.00 0.00 C ATOM 191 O GLU A 13 -0.122 -6.097 12.123 1.00 0.00 O ATOM 192 CB GLU A 13 3.212 -5.311 11.279 1.00 0.00 C ATOM 193 CG GLU A 13 3.885 -5.738 12.585 1.00 0.00 C ATOM 194 CD GLU A 13 4.753 -6.973 12.334 1.00 0.00 C ATOM 195 OE1 GLU A 13 5.492 -6.967 11.364 1.00 0.00 O ATOM 196 OE2 GLU A 13 4.663 -7.905 13.117 1.00 0.00 O ATOM 0 H GLU A 13 2.826 -6.127 9.045 1.00 0.00 H new ATOM 0 HA GLU A 13 2.066 -7.144 11.556 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.919 -5.385 10.453 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.903 -4.268 11.342 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.497 -4.924 12.974 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.130 -5.959 13.340 1.00 0.00 H new ATOM 203 N ILE A 14 0.536 -4.266 11.102 1.00 0.00 N ATOM 204 CA ILE A 14 -0.708 -3.549 11.508 1.00 0.00 C ATOM 205 C ILE A 14 -1.928 -4.438 11.238 1.00 0.00 C ATOM 206 O ILE A 14 -1.845 -5.415 10.522 1.00 0.00 O ATOM 207 CB ILE A 14 -0.750 -2.279 10.653 1.00 0.00 C ATOM 208 CG1 ILE A 14 -0.529 -2.633 9.174 1.00 0.00 C ATOM 209 CG2 ILE A 14 0.348 -1.320 11.121 1.00 0.00 C ATOM 210 CD1 ILE A 14 -0.198 -1.362 8.386 1.00 0.00 C ATOM 0 H ILE A 14 1.196 -3.719 10.549 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.719 -3.305 12.570 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.725 -1.804 10.761 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.283 -3.354 9.079 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.423 -3.104 8.765 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.322 -0.414 10.515 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.184 -1.062 12.167 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.321 -1.800 11.014 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.041 -1.615 7.337 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.024 -0.656 8.470 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.708 -0.909 8.789 1.00 0.00 H new ATOM 222 N GLU A 15 -3.054 -4.121 11.819 1.00 0.00 N ATOM 223 CA GLU A 15 -4.262 -4.971 11.602 1.00 0.00 C ATOM 224 C GLU A 15 -5.384 -4.180 10.925 1.00 0.00 C ATOM 225 O GLU A 15 -5.952 -4.616 9.944 1.00 0.00 O ATOM 226 CB GLU A 15 -4.688 -5.408 13.003 1.00 0.00 C ATOM 227 CG GLU A 15 -4.298 -6.870 13.224 1.00 0.00 C ATOM 228 CD GLU A 15 -5.563 -7.710 13.421 1.00 0.00 C ATOM 229 OE1 GLU A 15 -6.220 -7.525 14.431 1.00 0.00 O ATOM 230 OE2 GLU A 15 -5.850 -8.523 12.558 1.00 0.00 O ATOM 0 H GLU A 15 -3.190 -3.316 12.431 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.048 -5.816 10.947 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.211 -4.776 13.753 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.765 -5.286 13.121 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.732 -7.240 12.369 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.651 -6.957 14.097 1.00 0.00 H new ATOM 237 N ARG A 16 -5.716 -3.029 11.441 1.00 0.00 N ATOM 238 CA ARG A 16 -6.811 -2.223 10.824 1.00 0.00 C ATOM 239 C ARG A 16 -6.714 -2.274 9.297 1.00 0.00 C ATOM 240 O ARG A 16 -7.552 -2.847 8.627 1.00 0.00 O ATOM 241 CB ARG A 16 -6.578 -0.798 11.325 1.00 0.00 C ATOM 242 CG ARG A 16 -7.474 -0.526 12.534 1.00 0.00 C ATOM 243 CD ARG A 16 -7.568 0.983 12.768 1.00 0.00 C ATOM 244 NE ARG A 16 -7.041 1.192 14.145 1.00 0.00 N ATOM 245 CZ ARG A 16 -5.762 1.086 14.376 1.00 0.00 C ATOM 246 NH1 ARG A 16 -4.907 1.686 13.595 1.00 0.00 N ATOM 247 NH2 ARG A 16 -5.337 0.378 15.388 1.00 0.00 N ATOM 0 H ARG A 16 -5.278 -2.611 12.262 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.799 -2.597 11.091 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.531 -0.664 11.598 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.794 -0.083 10.531 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.467 -0.941 12.365 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.069 -1.018 13.419 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.981 1.534 12.033 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.597 1.333 12.682 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.680 1.418 14.907 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.239 2.238 12.804 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.906 1.603 13.775 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.006 -0.092 15.998 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.336 0.295 15.568 1.00 0.00 H new ATOM 261 N ILE A 17 -5.698 -1.673 8.747 1.00 0.00 N ATOM 262 CA ILE A 17 -5.536 -1.672 7.261 1.00 0.00 C ATOM 263 C ILE A 17 -5.130 -3.064 6.757 1.00 0.00 C ATOM 264 O ILE A 17 -5.512 -3.479 5.679 1.00 0.00 O ATOM 265 CB ILE A 17 -4.434 -0.641 6.989 1.00 0.00 C ATOM 266 CG1 ILE A 17 -3.983 -0.728 5.529 1.00 0.00 C ATOM 267 CG2 ILE A 17 -3.231 -0.901 7.898 1.00 0.00 C ATOM 268 CD1 ILE A 17 -2.797 0.222 5.300 1.00 0.00 C ATOM 0 H ILE A 17 -4.968 -1.180 9.261 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.463 -1.423 6.744 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.834 0.353 7.191 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.695 -1.751 5.287 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.807 -0.464 4.867 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.455 -0.162 7.695 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.540 -0.826 8.941 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.840 -1.900 7.707 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.476 0.160 4.260 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.101 1.244 5.525 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.971 -0.063 5.952 1.00 0.00 H new ATOM 280 N HIS A 18 -4.363 -3.788 7.524 1.00 0.00 N ATOM 281 CA HIS A 18 -3.938 -5.148 7.080 1.00 0.00 C ATOM 282 C HIS A 18 -5.147 -6.081 6.979 1.00 0.00 C ATOM 283 O HIS A 18 -5.506 -6.535 5.911 1.00 0.00 O ATOM 284 CB HIS A 18 -2.979 -5.634 8.166 1.00 0.00 C ATOM 285 CG HIS A 18 -2.592 -7.059 7.888 1.00 0.00 C ATOM 286 ND1 HIS A 18 -2.431 -7.992 8.900 1.00 0.00 N ATOM 287 CD2 HIS A 18 -2.333 -7.728 6.716 1.00 0.00 C ATOM 288 CE1 HIS A 18 -2.090 -9.160 8.324 1.00 0.00 C ATOM 289 NE2 HIS A 18 -2.016 -9.054 6.996 1.00 0.00 N ATOM 0 H HIS A 18 -4.012 -3.499 8.437 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.471 -5.131 6.095 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.091 -5.003 8.192 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -3.452 -5.558 9.145 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.370 -7.292 5.729 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.899 -10.072 8.870 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -1.778 -9.788 6.329 1.00 0.00 H new ATOM 297 N PHE A 19 -5.773 -6.375 8.085 1.00 0.00 N ATOM 298 CA PHE A 19 -6.954 -7.281 8.059 1.00 0.00 C ATOM 299 C PHE A 19 -7.935 -6.834 6.966 1.00 0.00 C ATOM 300 O PHE A 19 -8.218 -7.567 6.038 1.00 0.00 O ATOM 301 CB PHE A 19 -7.571 -7.148 9.460 1.00 0.00 C ATOM 302 CG PHE A 19 -9.065 -7.360 9.399 1.00 0.00 C ATOM 303 CD1 PHE A 19 -9.593 -8.392 8.616 1.00 0.00 C ATOM 304 CD2 PHE A 19 -9.920 -6.519 10.119 1.00 0.00 C ATOM 305 CE1 PHE A 19 -10.976 -8.584 8.553 1.00 0.00 C ATOM 306 CE2 PHE A 19 -11.305 -6.710 10.057 1.00 0.00 C ATOM 307 CZ PHE A 19 -11.834 -7.743 9.275 1.00 0.00 C ATOM 0 H PHE A 19 -5.516 -6.025 9.008 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.695 -8.315 7.831 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.121 -7.877 10.133 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.354 -6.161 9.868 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.932 -9.040 8.060 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.511 -5.722 10.723 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.384 -9.380 7.948 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.965 -6.060 10.612 1.00 0.00 H new ATOM 0 HZ PHE A 19 -12.903 -7.892 9.228 1.00 0.00 H new ATOM 317 N PHE A 20 -8.457 -5.644 7.071 1.00 0.00 N ATOM 318 CA PHE A 20 -9.420 -5.163 6.039 1.00 0.00 C ATOM 319 C PHE A 20 -8.912 -5.510 4.638 1.00 0.00 C ATOM 320 O PHE A 20 -9.681 -5.667 3.711 1.00 0.00 O ATOM 321 CB PHE A 20 -9.484 -3.647 6.232 1.00 0.00 C ATOM 322 CG PHE A 20 -10.910 -3.237 6.519 1.00 0.00 C ATOM 323 CD1 PHE A 20 -11.818 -3.076 5.465 1.00 0.00 C ATOM 324 CD2 PHE A 20 -11.324 -3.019 7.838 1.00 0.00 C ATOM 325 CE1 PHE A 20 -13.139 -2.696 5.731 1.00 0.00 C ATOM 326 CE2 PHE A 20 -12.645 -2.640 8.104 1.00 0.00 C ATOM 327 CZ PHE A 20 -13.553 -2.478 7.050 1.00 0.00 C ATOM 0 H PHE A 20 -8.260 -4.985 7.824 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.401 -5.626 6.141 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.835 -3.346 7.055 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.121 -3.140 5.338 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -11.499 -3.245 4.447 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -10.624 -3.143 8.651 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -13.839 -2.571 4.918 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -12.964 -2.472 9.122 1.00 0.00 H new ATOM 0 HZ PHE A 20 -14.572 -2.185 7.255 1.00 0.00 H new ATOM 337 N LEU A 21 -7.622 -5.632 4.474 1.00 0.00 N ATOM 338 CA LEU A 21 -7.076 -5.972 3.128 1.00 0.00 C ATOM 339 C LEU A 21 -6.991 -7.492 2.955 1.00 0.00 C ATOM 340 O LEU A 21 -7.109 -8.008 1.862 1.00 0.00 O ATOM 341 CB LEU A 21 -5.676 -5.355 3.091 1.00 0.00 C ATOM 342 CG LEU A 21 -5.648 -4.184 2.106 1.00 0.00 C ATOM 343 CD1 LEU A 21 -6.283 -4.611 0.780 1.00 0.00 C ATOM 344 CD2 LEU A 21 -6.433 -3.009 2.690 1.00 0.00 C ATOM 0 H LEU A 21 -6.926 -5.512 5.210 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.710 -5.594 2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.394 -5.011 4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.945 -6.108 2.795 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.615 -3.883 1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.262 -3.775 0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.724 -5.448 0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.316 -4.914 0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.414 -2.174 1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.465 -3.312 2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.980 -2.702 3.633 1.00 0.00 H new ATOM 356 N SER A 22 -6.781 -8.210 4.023 1.00 0.00 N ATOM 357 CA SER A 22 -6.682 -9.694 3.914 1.00 0.00 C ATOM 358 C SER A 22 -8.047 -10.297 3.564 1.00 0.00 C ATOM 359 O SER A 22 -8.170 -11.485 3.344 1.00 0.00 O ATOM 360 CB SER A 22 -6.224 -10.162 5.296 1.00 0.00 C ATOM 361 OG SER A 22 -7.021 -11.264 5.709 1.00 0.00 O ATOM 0 H SER A 22 -6.674 -7.835 4.965 1.00 0.00 H new ATOM 0 HA SER A 22 -5.992 -10.004 3.129 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.173 -10.450 5.265 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.310 -9.347 6.015 1.00 0.00 H new ATOM 0 HG SER A 22 -6.728 -11.566 6.594 1.00 0.00 H new ATOM 367 N LYS A 23 -9.070 -9.489 3.513 1.00 0.00 N ATOM 368 CA LYS A 23 -10.423 -10.021 3.180 1.00 0.00 C ATOM 369 C LYS A 23 -10.390 -10.773 1.846 1.00 0.00 C ATOM 370 O LYS A 23 -11.281 -11.537 1.532 1.00 0.00 O ATOM 371 CB LYS A 23 -11.318 -8.785 3.078 1.00 0.00 C ATOM 372 CG LYS A 23 -12.137 -8.643 4.362 1.00 0.00 C ATOM 373 CD LYS A 23 -12.678 -7.217 4.469 1.00 0.00 C ATOM 374 CE LYS A 23 -13.376 -7.036 5.819 1.00 0.00 C ATOM 375 NZ LYS A 23 -14.611 -6.263 5.513 1.00 0.00 N ATOM 0 H LYS A 23 -9.029 -8.485 3.687 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.783 -10.727 3.928 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.710 -7.894 2.921 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.982 -8.873 2.218 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.961 -9.356 4.361 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.517 -8.874 5.228 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.864 -6.499 4.369 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.378 -7.020 3.657 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.615 -7.998 6.272 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.740 -6.501 6.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.144 -6.099 6.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.352 -5.349 5.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.200 -6.800 4.845 1.00 0.00 H new ATOM 389 N LYS A 24 -9.370 -10.565 1.059 1.00 0.00 N ATOM 390 CA LYS A 24 -9.282 -11.271 -0.252 1.00 0.00 C ATOM 391 C LYS A 24 -10.466 -10.888 -1.142 1.00 0.00 C ATOM 392 O LYS A 24 -11.571 -11.358 -0.957 1.00 0.00 O ATOM 393 CB LYS A 24 -9.333 -12.759 0.093 1.00 0.00 C ATOM 394 CG LYS A 24 -7.946 -13.373 -0.099 1.00 0.00 C ATOM 395 CD LYS A 24 -7.329 -13.679 1.267 1.00 0.00 C ATOM 396 CE LYS A 24 -7.108 -15.187 1.400 1.00 0.00 C ATOM 397 NZ LYS A 24 -8.463 -15.751 1.651 1.00 0.00 N ATOM 0 H LYS A 24 -8.594 -9.937 1.267 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.376 -11.010 -0.799 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.663 -12.894 1.123 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.059 -13.266 -0.543 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.020 -14.286 -0.689 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.306 -12.686 -0.653 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.382 -13.151 1.377 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.985 -13.325 2.062 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.668 -15.603 0.494 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.427 -15.416 2.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.453 -16.299 2.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.152 -14.976 1.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.732 -16.372 0.861 1.00 0.00 H new ATOM 411 N LYS A 25 -10.246 -10.038 -2.106 1.00 0.00 N ATOM 412 CA LYS A 25 -11.362 -9.628 -3.004 1.00 0.00 C ATOM 413 C LYS A 25 -11.001 -9.905 -4.464 1.00 0.00 C ATOM 414 O LYS A 25 -10.134 -10.703 -4.763 1.00 0.00 O ATOM 415 CB LYS A 25 -11.527 -8.127 -2.769 1.00 0.00 C ATOM 416 CG LYS A 25 -12.817 -7.871 -1.988 1.00 0.00 C ATOM 417 CD LYS A 25 -13.938 -7.494 -2.958 1.00 0.00 C ATOM 418 CE LYS A 25 -15.155 -7.006 -2.169 1.00 0.00 C ATOM 419 NZ LYS A 25 -14.896 -5.560 -1.919 1.00 0.00 N ATOM 0 H LYS A 25 -9.343 -9.610 -2.311 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.280 -10.178 -2.797 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.672 -7.739 -2.216 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.556 -7.600 -3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.095 -8.761 -1.423 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.663 -7.070 -1.265 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.597 -6.714 -3.639 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.209 -8.355 -3.569 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -16.076 -7.150 -2.734 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.265 -7.555 -1.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.069 -5.345 -0.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.908 -5.338 -2.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.530 -4.986 -2.511 1.00 0.00 H new ATOM 433 N THR A 26 -11.662 -9.247 -5.376 1.00 0.00 N ATOM 434 CA THR A 26 -11.366 -9.459 -6.821 1.00 0.00 C ATOM 435 C THR A 26 -11.233 -8.108 -7.525 1.00 0.00 C ATOM 436 O THR A 26 -10.244 -7.828 -8.174 1.00 0.00 O ATOM 437 CB THR A 26 -12.570 -10.231 -7.363 1.00 0.00 C ATOM 438 OG1 THR A 26 -13.767 -9.648 -6.865 1.00 0.00 O ATOM 439 CG2 THR A 26 -12.487 -11.690 -6.917 1.00 0.00 C ATOM 0 H THR A 26 -12.398 -8.568 -5.181 1.00 0.00 H new ATOM 0 HA THR A 26 -10.433 -10.000 -6.982 1.00 0.00 H new ATOM 0 HB THR A 26 -12.569 -10.187 -8.452 1.00 0.00 H new ATOM 0 HG1 THR A 26 -14.540 -10.140 -7.213 1.00 0.00 H new ATOM 0 HG21 THR A 26 -13.346 -12.238 -7.304 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.569 -12.136 -7.300 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.487 -11.738 -5.828 1.00 0.00 H new ATOM 447 N ASP A 27 -12.219 -7.264 -7.393 1.00 0.00 N ATOM 448 CA ASP A 27 -12.146 -5.926 -8.045 1.00 0.00 C ATOM 449 C ASP A 27 -11.140 -5.044 -7.304 1.00 0.00 C ATOM 450 O ASP A 27 -10.294 -4.411 -7.901 1.00 0.00 O ATOM 451 CB ASP A 27 -13.556 -5.348 -7.927 1.00 0.00 C ATOM 452 CG ASP A 27 -13.686 -4.135 -8.850 1.00 0.00 C ATOM 453 OD1 ASP A 27 -12.967 -4.085 -9.834 1.00 0.00 O ATOM 454 OD2 ASP A 27 -14.502 -3.278 -8.557 1.00 0.00 O ATOM 0 H ASP A 27 -13.072 -7.443 -6.862 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.820 -5.985 -9.083 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.294 -6.104 -8.195 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.757 -5.058 -6.896 1.00 0.00 H new ATOM 459 N GLU A 28 -11.222 -5.006 -6.001 1.00 0.00 N ATOM 460 CA GLU A 28 -10.264 -4.172 -5.221 1.00 0.00 C ATOM 461 C GLU A 28 -8.829 -4.548 -5.597 1.00 0.00 C ATOM 462 O GLU A 28 -8.034 -3.710 -5.976 1.00 0.00 O ATOM 463 CB GLU A 28 -10.547 -4.512 -3.757 1.00 0.00 C ATOM 464 CG GLU A 28 -9.551 -3.779 -2.856 1.00 0.00 C ATOM 465 CD GLU A 28 -9.609 -2.279 -3.146 1.00 0.00 C ATOM 466 OE1 GLU A 28 -9.021 -1.863 -4.131 1.00 0.00 O ATOM 467 OE2 GLU A 28 -10.239 -1.571 -2.377 1.00 0.00 O ATOM 0 H GLU A 28 -11.909 -5.515 -5.445 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.378 -3.106 -5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.566 -4.226 -3.497 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.469 -5.588 -3.602 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.786 -3.967 -1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.543 -4.155 -3.029 1.00 0.00 H new ATOM 474 N LEU A 29 -8.496 -5.806 -5.506 1.00 0.00 N ATOM 475 CA LEU A 29 -7.119 -6.248 -5.866 1.00 0.00 C ATOM 476 C LEU A 29 -6.827 -5.905 -7.328 1.00 0.00 C ATOM 477 O LEU A 29 -5.705 -5.627 -7.704 1.00 0.00 O ATOM 478 CB LEU A 29 -7.136 -7.765 -5.673 1.00 0.00 C ATOM 479 CG LEU A 29 -5.975 -8.185 -4.772 1.00 0.00 C ATOM 480 CD1 LEU A 29 -4.677 -7.565 -5.287 1.00 0.00 C ATOM 481 CD2 LEU A 29 -6.242 -7.706 -3.344 1.00 0.00 C ATOM 0 H LEU A 29 -9.121 -6.550 -5.196 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.353 -5.763 -5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.083 -8.074 -5.230 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.058 -8.265 -6.639 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.883 -9.271 -4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.850 -7.865 -4.644 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.488 -7.908 -6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.765 -6.479 -5.281 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.415 -8.004 -2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.335 -6.620 -3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.167 -8.152 -2.978 1.00 0.00 H new ATOM 493 N ARG A 30 -7.834 -5.932 -8.156 1.00 0.00 N ATOM 494 CA ARG A 30 -7.633 -5.619 -9.600 1.00 0.00 C ATOM 495 C ARG A 30 -6.950 -4.259 -9.772 1.00 0.00 C ATOM 496 O ARG A 30 -5.968 -4.135 -10.476 1.00 0.00 O ATOM 497 CB ARG A 30 -9.041 -5.590 -10.192 1.00 0.00 C ATOM 498 CG ARG A 30 -9.058 -6.369 -11.507 1.00 0.00 C ATOM 499 CD ARG A 30 -8.454 -5.509 -12.618 1.00 0.00 C ATOM 500 NE ARG A 30 -8.750 -6.245 -13.877 1.00 0.00 N ATOM 501 CZ ARG A 30 -7.775 -6.614 -14.661 1.00 0.00 C ATOM 502 NH1 ARG A 30 -6.690 -7.131 -14.153 1.00 0.00 N ATOM 503 NH2 ARG A 30 -7.884 -6.463 -15.953 1.00 0.00 N ATOM 0 H ARG A 30 -8.793 -6.159 -7.894 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.992 -6.351 -10.092 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.751 -6.026 -9.490 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.354 -4.560 -10.363 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.492 -7.295 -11.401 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.080 -6.648 -11.763 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.895 -4.512 -12.630 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.381 -5.381 -12.479 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.715 -6.461 -14.127 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.605 -7.246 -13.143 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.927 -7.420 -14.766 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.731 -6.057 -16.349 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.122 -6.751 -16.566 1.00 0.00 H new ATOM 517 N ASN A 31 -7.467 -3.234 -9.147 1.00 0.00 N ATOM 518 CA ASN A 31 -6.851 -1.882 -9.294 1.00 0.00 C ATOM 519 C ASN A 31 -5.699 -1.697 -8.301 1.00 0.00 C ATOM 520 O ASN A 31 -4.661 -1.161 -8.634 1.00 0.00 O ATOM 521 CB ASN A 31 -7.983 -0.897 -8.993 1.00 0.00 C ATOM 522 CG ASN A 31 -8.233 -0.843 -7.484 1.00 0.00 C ATOM 523 OD1 ASN A 31 -9.047 -1.704 -6.938 1.00 0.00 O flip ATOM 524 ND2 ASN A 31 -7.681 -0.008 -6.794 1.00 0.00 N flip ATOM 0 H ASN A 31 -8.287 -3.274 -8.542 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.429 -1.733 -10.288 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.723 0.095 -9.364 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.892 -1.203 -9.511 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.044 0.666 -7.220 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.854 0.019 -5.789 1.00 0.00 H new ATOM 531 N LEU A 32 -5.874 -2.130 -7.084 1.00 0.00 N ATOM 532 CA LEU A 32 -4.789 -1.970 -6.075 1.00 0.00 C ATOM 533 C LEU A 32 -3.486 -2.569 -6.606 1.00 0.00 C ATOM 534 O LEU A 32 -2.466 -1.910 -6.666 1.00 0.00 O ATOM 535 CB LEU A 32 -5.270 -2.743 -4.849 1.00 0.00 C ATOM 536 CG LEU A 32 -5.531 -1.768 -3.703 1.00 0.00 C ATOM 537 CD1 LEU A 32 -6.039 -2.541 -2.485 1.00 0.00 C ATOM 538 CD2 LEU A 32 -4.230 -1.047 -3.344 1.00 0.00 C ATOM 0 H LEU A 32 -6.720 -2.587 -6.744 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.590 -0.923 -5.844 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.180 -3.293 -5.087 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.522 -3.478 -4.552 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.280 -1.037 -4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.226 -1.847 -1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.964 -3.057 -2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.289 -3.271 -2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.414 -0.350 -2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.482 -1.778 -3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.866 -0.499 -4.213 1.00 0.00 H new ATOM 550 N HIS A 33 -3.513 -3.814 -6.989 1.00 0.00 N ATOM 551 CA HIS A 33 -2.278 -4.457 -7.513 1.00 0.00 C ATOM 552 C HIS A 33 -1.983 -3.959 -8.930 1.00 0.00 C ATOM 553 O HIS A 33 -0.860 -3.999 -9.391 1.00 0.00 O ATOM 554 CB HIS A 33 -2.582 -5.955 -7.523 1.00 0.00 C ATOM 555 CG HIS A 33 -1.598 -6.673 -6.641 1.00 0.00 C ATOM 556 ND1 HIS A 33 -0.977 -7.892 -6.763 1.00 0.00 N flip ATOM 557 CD2 HIS A 33 -1.137 -6.130 -5.452 1.00 0.00 C flip ATOM 558 CE1 HIS A 33 -0.145 -8.105 -5.668 1.00 0.00 C flip ATOM 559 NE2 HIS A 33 -0.278 -7.013 -4.909 1.00 0.00 N flip ATOM 0 H HIS A 33 -4.337 -4.414 -6.962 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.403 -4.224 -6.906 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.598 -6.133 -7.172 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.524 -6.342 -8.540 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -1.106 -8.542 -7.538 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -1.416 -5.173 -5.037 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.475 -8.968 -5.473 1.00 0.00 H new ATOM 567 N LYS A 34 -2.983 -3.492 -9.628 1.00 0.00 N ATOM 568 CA LYS A 34 -2.753 -2.999 -11.013 1.00 0.00 C ATOM 569 C LYS A 34 -1.673 -1.916 -11.025 1.00 0.00 C ATOM 570 O LYS A 34 -0.826 -1.883 -11.893 1.00 0.00 O ATOM 571 CB LYS A 34 -4.094 -2.419 -11.458 1.00 0.00 C ATOM 572 CG LYS A 34 -4.665 -3.264 -12.597 1.00 0.00 C ATOM 573 CD LYS A 34 -6.065 -2.761 -12.954 1.00 0.00 C ATOM 574 CE LYS A 34 -5.983 -1.302 -13.408 1.00 0.00 C ATOM 575 NZ LYS A 34 -6.276 -1.328 -14.869 1.00 0.00 N ATOM 0 H LYS A 34 -3.946 -3.431 -9.299 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.410 -3.793 -11.676 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.791 -2.402 -10.620 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.965 -1.388 -11.786 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.013 -3.206 -13.469 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.708 -4.312 -12.300 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.493 -3.376 -13.746 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.725 -2.848 -12.091 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.703 -0.683 -12.873 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.996 -0.884 -13.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.237 -0.360 -15.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.571 -1.919 -15.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.225 -1.723 -15.026 1.00 0.00 H new ATOM 589 N LEU A 35 -1.696 -1.030 -10.070 1.00 0.00 N ATOM 590 CA LEU A 35 -0.664 0.042 -10.036 1.00 0.00 C ATOM 591 C LEU A 35 0.299 -0.202 -8.874 1.00 0.00 C ATOM 592 O LEU A 35 1.500 -0.089 -9.013 1.00 0.00 O ATOM 593 CB LEU A 35 -1.443 1.339 -9.823 1.00 0.00 C ATOM 594 CG LEU A 35 -0.458 2.501 -9.700 1.00 0.00 C ATOM 595 CD1 LEU A 35 -0.316 3.197 -11.056 1.00 0.00 C ATOM 596 CD2 LEU A 35 -0.975 3.502 -8.663 1.00 0.00 C ATOM 0 H LEU A 35 -2.381 -1.001 -9.315 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.068 0.074 -10.948 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.124 1.510 -10.657 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.054 1.267 -8.923 1.00 0.00 H new ATOM 0 HG LEU A 35 0.514 2.121 -9.384 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.387 4.026 -10.968 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.054 2.485 -11.794 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.287 3.577 -11.373 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.272 4.331 -8.575 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.947 3.882 -8.977 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.074 3.007 -7.697 1.00 0.00 H new ATOM 608 N LEU A 36 -0.222 -0.541 -7.728 1.00 0.00 N ATOM 609 CA LEU A 36 0.657 -0.800 -6.554 1.00 0.00 C ATOM 610 C LEU A 36 1.697 -1.869 -6.897 1.00 0.00 C ATOM 611 O LEU A 36 2.886 -1.658 -6.758 1.00 0.00 O ATOM 612 CB LEU A 36 -0.280 -1.294 -5.452 1.00 0.00 C ATOM 613 CG LEU A 36 0.433 -1.216 -4.102 1.00 0.00 C ATOM 614 CD1 LEU A 36 0.271 0.189 -3.517 1.00 0.00 C ATOM 615 CD2 LEU A 36 -0.178 -2.238 -3.140 1.00 0.00 C ATOM 0 H LEU A 36 -1.221 -0.650 -7.553 1.00 0.00 H new ATOM 0 HA LEU A 36 1.207 0.090 -6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.186 -0.688 -5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.587 -2.320 -5.654 1.00 0.00 H new ATOM 0 HG LEU A 36 1.492 -1.433 -4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.780 0.243 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.706 0.920 -4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.788 0.406 -3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.331 -2.182 -2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.237 -2.021 -3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.063 -3.240 -3.553 1.00 0.00 H new ATOM 627 N TYR A 37 1.262 -3.020 -7.334 1.00 0.00 N ATOM 628 CA TYR A 37 2.233 -4.100 -7.672 1.00 0.00 C ATOM 629 C TYR A 37 2.345 -4.270 -9.188 1.00 0.00 C ATOM 630 O TYR A 37 3.113 -5.076 -9.674 1.00 0.00 O ATOM 631 CB TYR A 37 1.657 -5.361 -7.031 1.00 0.00 C ATOM 632 CG TYR A 37 2.537 -5.786 -5.880 1.00 0.00 C ATOM 633 CD1 TYR A 37 2.344 -5.230 -4.609 1.00 0.00 C ATOM 634 CD2 TYR A 37 3.544 -6.733 -6.084 1.00 0.00 C ATOM 635 CE1 TYR A 37 3.161 -5.624 -3.543 1.00 0.00 C ATOM 636 CE2 TYR A 37 4.361 -7.128 -5.018 1.00 0.00 C ATOM 637 CZ TYR A 37 4.169 -6.573 -3.747 1.00 0.00 C ATOM 638 OH TYR A 37 4.975 -6.961 -2.696 1.00 0.00 O ATOM 0 H TYR A 37 0.280 -3.259 -7.471 1.00 0.00 H new ATOM 0 HA TYR A 37 3.237 -3.877 -7.310 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.643 -5.172 -6.678 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.593 -6.161 -7.769 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.566 -4.498 -4.452 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.692 -7.160 -7.065 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.013 -5.195 -2.563 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.139 -7.860 -5.176 1.00 0.00 H new ATOM 0 HH TYR A 37 4.979 -7.939 -2.630 1.00 0.00 H new ATOM 648 N ASN A 38 1.586 -3.524 -9.940 1.00 0.00 N ATOM 649 CA ASN A 38 1.656 -3.655 -11.423 1.00 0.00 C ATOM 650 C ASN A 38 1.475 -5.119 -11.834 1.00 0.00 C ATOM 651 O ASN A 38 2.099 -5.594 -12.762 1.00 0.00 O ATOM 652 CB ASN A 38 3.053 -3.161 -11.799 1.00 0.00 C ATOM 653 CG ASN A 38 3.191 -3.144 -13.322 1.00 0.00 C ATOM 654 OD1 ASN A 38 2.551 -2.360 -13.994 1.00 0.00 O ATOM 655 ND2 ASN A 38 4.004 -3.985 -13.902 1.00 0.00 N ATOM 0 H ASN A 38 0.922 -2.831 -9.594 1.00 0.00 H new ATOM 0 HA ASN A 38 0.874 -3.086 -11.925 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.218 -2.162 -11.396 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.811 -3.811 -11.361 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.101 -3.983 -14.917 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.542 -4.644 -13.340 1.00 0.00 H new ATOM 662 N ARG A 39 0.628 -5.838 -11.148 1.00 0.00 N ATOM 663 CA ARG A 39 0.408 -7.271 -11.498 1.00 0.00 C ATOM 664 C ARG A 39 -1.077 -7.621 -11.376 1.00 0.00 C ATOM 665 O ARG A 39 -1.875 -6.804 -10.962 1.00 0.00 O ATOM 666 CB ARG A 39 1.231 -8.057 -10.476 1.00 0.00 C ATOM 667 CG ARG A 39 2.340 -8.828 -11.193 1.00 0.00 C ATOM 668 CD ARG A 39 3.705 -8.323 -10.719 1.00 0.00 C ATOM 669 NE ARG A 39 4.338 -9.493 -10.050 1.00 0.00 N ATOM 670 CZ ARG A 39 4.897 -9.352 -8.879 1.00 0.00 C ATOM 671 NH1 ARG A 39 5.985 -8.640 -8.756 1.00 0.00 N ATOM 672 NH2 ARG A 39 4.368 -9.921 -7.831 1.00 0.00 N ATOM 0 H ARG A 39 0.079 -5.495 -10.360 1.00 0.00 H new ATOM 0 HA ARG A 39 0.705 -7.498 -12.522 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.663 -7.377 -9.742 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.588 -8.748 -9.931 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.245 -9.895 -10.990 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.248 -8.699 -12.271 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.309 -7.973 -11.556 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.598 -7.485 -10.030 1.00 0.00 H new ATOM 0 HE ARG A 39 4.335 -10.405 -10.507 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.398 -8.194 -9.575 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.422 -8.530 -7.841 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.518 -10.476 -7.927 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.805 -9.811 -6.916 1.00 0.00 H new ATOM 686 N PRO A 40 -1.398 -8.832 -11.744 1.00 0.00 N ATOM 687 CA PRO A 40 -2.803 -9.302 -11.676 1.00 0.00 C ATOM 688 C PRO A 40 -3.212 -9.543 -10.220 1.00 0.00 C ATOM 689 O PRO A 40 -4.257 -9.107 -9.778 1.00 0.00 O ATOM 690 CB PRO A 40 -2.781 -10.609 -12.462 1.00 0.00 C ATOM 691 CG PRO A 40 -1.366 -11.088 -12.381 1.00 0.00 C ATOM 692 CD PRO A 40 -0.491 -9.868 -12.253 1.00 0.00 C ATOM 0 HA PRO A 40 -3.518 -8.584 -12.077 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.469 -11.338 -12.034 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.086 -10.452 -13.497 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.232 -11.750 -11.525 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.102 -11.660 -13.270 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.340 -10.043 -11.569 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.059 -9.584 -13.213 1.00 0.00 H new ATOM 700 N GLY A 41 -2.396 -10.233 -9.472 1.00 0.00 N ATOM 701 CA GLY A 41 -2.736 -10.497 -8.046 1.00 0.00 C ATOM 702 C GLY A 41 -3.176 -11.952 -7.882 1.00 0.00 C ATOM 703 O GLY A 41 -4.191 -12.368 -8.405 1.00 0.00 O ATOM 0 H GLY A 41 -1.509 -10.625 -9.787 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.872 -10.295 -7.413 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.533 -9.827 -7.722 1.00 0.00 H new ATOM 707 N THR A 42 -2.424 -12.728 -7.152 1.00 0.00 N ATOM 708 CA THR A 42 -2.801 -14.154 -6.944 1.00 0.00 C ATOM 709 C THR A 42 -3.166 -14.380 -5.477 1.00 0.00 C ATOM 710 O THR A 42 -2.619 -13.757 -4.593 1.00 0.00 O ATOM 711 CB THR A 42 -1.552 -14.954 -7.316 1.00 0.00 C ATOM 712 OG1 THR A 42 -0.913 -14.342 -8.427 1.00 0.00 O ATOM 713 CG2 THR A 42 -1.952 -16.385 -7.677 1.00 0.00 C ATOM 0 H THR A 42 -1.563 -12.436 -6.690 1.00 0.00 H new ATOM 0 HA THR A 42 -3.663 -14.451 -7.542 1.00 0.00 H new ATOM 0 HB THR A 42 -0.866 -14.974 -6.469 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.111 -14.853 -8.665 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.062 -16.956 -7.942 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.442 -16.852 -6.823 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.638 -16.368 -8.524 1.00 0.00 H new ATOM 721 N VAL A 43 -4.086 -15.263 -5.210 1.00 0.00 N ATOM 722 CA VAL A 43 -4.483 -15.520 -3.795 1.00 0.00 C ATOM 723 C VAL A 43 -3.249 -15.537 -2.885 1.00 0.00 C ATOM 724 O VAL A 43 -3.245 -14.958 -1.815 1.00 0.00 O ATOM 725 CB VAL A 43 -5.146 -16.896 -3.817 1.00 0.00 C ATOM 726 CG1 VAL A 43 -5.356 -17.384 -2.383 1.00 0.00 C ATOM 727 CG2 VAL A 43 -6.500 -16.796 -4.525 1.00 0.00 C ATOM 0 H VAL A 43 -4.581 -15.818 -5.908 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.148 -14.747 -3.409 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.507 -17.600 -4.350 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.829 -18.366 -2.398 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.393 -17.453 -1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.996 -16.681 -1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.975 -17.777 -4.542 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.139 -16.093 -3.991 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.351 -16.447 -5.547 1.00 0.00 H new ATOM 737 N SER A 44 -2.202 -16.196 -3.302 1.00 0.00 N ATOM 738 CA SER A 44 -0.970 -16.256 -2.462 1.00 0.00 C ATOM 739 C SER A 44 -0.191 -14.940 -2.542 1.00 0.00 C ATOM 740 O SER A 44 0.419 -14.512 -1.582 1.00 0.00 O ATOM 741 CB SER A 44 -0.145 -17.398 -3.051 1.00 0.00 C ATOM 742 OG SER A 44 -0.623 -17.702 -4.355 1.00 0.00 O ATOM 0 H SER A 44 -2.146 -16.696 -4.189 1.00 0.00 H new ATOM 0 HA SER A 44 -1.205 -16.416 -1.410 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.907 -17.117 -3.094 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.214 -18.278 -2.412 1.00 0.00 H new ATOM 0 HG SER A 44 -0.093 -18.434 -4.735 1.00 0.00 H new ATOM 748 N SER A 45 -0.209 -14.290 -3.672 1.00 0.00 N ATOM 749 CA SER A 45 0.530 -13.003 -3.799 1.00 0.00 C ATOM 750 C SER A 45 -0.384 -11.856 -3.380 1.00 0.00 C ATOM 751 O SER A 45 -0.101 -11.121 -2.453 1.00 0.00 O ATOM 752 CB SER A 45 0.889 -12.894 -5.278 1.00 0.00 C ATOM 753 OG SER A 45 0.641 -11.567 -5.725 1.00 0.00 O ATOM 0 H SER A 45 -0.702 -14.593 -4.512 1.00 0.00 H new ATOM 0 HA SER A 45 1.419 -12.961 -3.169 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.937 -13.151 -5.430 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.300 -13.602 -5.860 1.00 0.00 H new ATOM 0 HG SER A 45 0.872 -11.493 -6.674 1.00 0.00 H new ATOM 759 N LEU A 46 -1.485 -11.709 -4.055 1.00 0.00 N ATOM 760 CA LEU A 46 -2.439 -10.626 -3.711 1.00 0.00 C ATOM 761 C LEU A 46 -2.638 -10.563 -2.191 1.00 0.00 C ATOM 762 O LEU A 46 -2.767 -9.500 -1.617 1.00 0.00 O ATOM 763 CB LEU A 46 -3.729 -11.013 -4.451 1.00 0.00 C ATOM 764 CG LEU A 46 -4.659 -11.840 -3.552 1.00 0.00 C ATOM 765 CD1 LEU A 46 -5.387 -10.916 -2.574 1.00 0.00 C ATOM 766 CD2 LEU A 46 -5.691 -12.567 -4.422 1.00 0.00 C ATOM 0 H LEU A 46 -1.767 -12.299 -4.838 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.095 -9.634 -4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.246 -10.112 -4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.481 -11.585 -5.345 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.069 -12.566 -2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.046 -11.506 -1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.657 -10.394 -1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.977 -10.188 -3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.353 -13.155 -3.786 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.277 -11.836 -4.978 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.177 -13.228 -5.121 1.00 0.00 H new ATOM 778 N LYS A 47 -2.652 -11.692 -1.534 1.00 0.00 N ATOM 779 CA LYS A 47 -2.836 -11.687 -0.055 1.00 0.00 C ATOM 780 C LYS A 47 -1.534 -11.260 0.628 1.00 0.00 C ATOM 781 O LYS A 47 -1.525 -10.393 1.480 1.00 0.00 O ATOM 782 CB LYS A 47 -3.186 -13.130 0.304 1.00 0.00 C ATOM 783 CG LYS A 47 -3.323 -13.262 1.822 1.00 0.00 C ATOM 784 CD LYS A 47 -2.226 -14.187 2.353 1.00 0.00 C ATOM 785 CE LYS A 47 -2.833 -15.547 2.705 1.00 0.00 C ATOM 786 NZ LYS A 47 -3.503 -15.342 4.019 1.00 0.00 N ATOM 0 H LYS A 47 -2.544 -12.614 -1.956 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.610 -10.991 0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.117 -13.421 -0.182 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.412 -13.804 -0.061 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.246 -12.281 2.292 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.305 -13.661 2.076 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.444 -14.309 1.604 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.758 -13.746 3.234 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.545 -15.870 1.945 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.065 -16.317 2.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.998 -15.878 4.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.493 -14.330 4.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.487 -15.675 3.963 1.00 0.00 H new ATOM 800 N LYS A 48 -0.434 -11.858 0.257 1.00 0.00 N ATOM 801 CA LYS A 48 0.863 -11.479 0.885 1.00 0.00 C ATOM 802 C LYS A 48 1.315 -10.110 0.369 1.00 0.00 C ATOM 803 O LYS A 48 1.428 -9.163 1.119 1.00 0.00 O ATOM 804 CB LYS A 48 1.848 -12.566 0.454 1.00 0.00 C ATOM 805 CG LYS A 48 2.378 -13.297 1.690 1.00 0.00 C ATOM 806 CD LYS A 48 1.711 -14.669 1.796 1.00 0.00 C ATOM 807 CE LYS A 48 2.037 -15.289 3.156 1.00 0.00 C ATOM 808 NZ LYS A 48 1.385 -14.394 4.152 1.00 0.00 N ATOM 0 H LYS A 48 -0.378 -12.590 -0.451 1.00 0.00 H new ATOM 0 HA LYS A 48 0.791 -11.405 1.970 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.356 -13.272 -0.216 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.675 -12.123 -0.101 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.460 -13.411 1.622 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.175 -12.712 2.587 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.632 -14.571 1.678 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.062 -15.319 0.994 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.653 -16.307 3.228 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.114 -15.342 3.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.903 -14.969 4.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.106 -13.799 4.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.690 -13.788 3.671 1.00 0.00 H new ATOM 822 N ASN A 49 1.572 -9.998 -0.906 1.00 0.00 N ATOM 823 CA ASN A 49 2.019 -8.690 -1.465 1.00 0.00 C ATOM 824 C ASN A 49 1.198 -7.544 -0.867 1.00 0.00 C ATOM 825 O ASN A 49 1.741 -6.592 -0.341 1.00 0.00 O ATOM 826 CB ASN A 49 1.772 -8.797 -2.971 1.00 0.00 C ATOM 827 CG ASN A 49 2.899 -9.605 -3.617 1.00 0.00 C ATOM 828 OD1 ASN A 49 4.060 -9.377 -3.343 1.00 0.00 O ATOM 829 ND2 ASN A 49 2.604 -10.547 -4.470 1.00 0.00 N ATOM 0 H ASN A 49 1.492 -10.755 -1.585 1.00 0.00 H new ATOM 0 HA ASN A 49 3.064 -8.482 -1.236 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.812 -9.277 -3.160 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.723 -7.802 -3.414 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.348 -11.091 -4.906 1.00 0.00 H new ATOM 0 HD22 ASN A 49 1.629 -10.739 -4.701 1.00 0.00 H new ATOM 836 N VAL A 50 -0.103 -7.623 -0.942 1.00 0.00 N ATOM 837 CA VAL A 50 -0.943 -6.529 -0.375 1.00 0.00 C ATOM 838 C VAL A 50 -0.545 -6.254 1.078 1.00 0.00 C ATOM 839 O VAL A 50 -0.085 -5.180 1.412 1.00 0.00 O ATOM 840 CB VAL A 50 -2.379 -7.045 -0.454 1.00 0.00 C ATOM 841 CG1 VAL A 50 -3.280 -6.195 0.445 1.00 0.00 C ATOM 842 CG2 VAL A 50 -2.873 -6.953 -1.899 1.00 0.00 C ATOM 0 H VAL A 50 -0.618 -8.393 -1.369 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.820 -5.592 -0.918 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.410 -8.083 -0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.304 -6.564 0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.929 -6.257 1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.250 -5.157 0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.897 -7.321 -1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.841 -5.915 -2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.233 -7.558 -2.541 1.00 0.00 H new ATOM 852 N GLY A 51 -0.719 -7.214 1.945 1.00 0.00 N ATOM 853 CA GLY A 51 -0.351 -7.001 3.372 1.00 0.00 C ATOM 854 C GLY A 51 1.172 -6.929 3.506 1.00 0.00 C ATOM 855 O GLY A 51 1.697 -6.641 4.561 1.00 0.00 O ATOM 0 H GLY A 51 -1.099 -8.135 1.727 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.802 -6.080 3.740 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.742 -7.814 3.984 1.00 0.00 H new ATOM 859 N GLN A 52 1.887 -7.191 2.447 1.00 0.00 N ATOM 860 CA GLN A 52 3.376 -7.134 2.526 1.00 0.00 C ATOM 861 C GLN A 52 3.950 -6.448 1.285 1.00 0.00 C ATOM 862 O GLN A 52 4.537 -7.081 0.430 1.00 0.00 O ATOM 863 CB GLN A 52 3.834 -8.592 2.591 1.00 0.00 C ATOM 864 CG GLN A 52 3.364 -9.219 3.904 1.00 0.00 C ATOM 865 CD GLN A 52 4.528 -9.264 4.895 1.00 0.00 C ATOM 866 OE1 GLN A 52 5.079 -8.148 5.288 1.00 0.00 O flip ATOM 867 NE2 GLN A 52 4.940 -10.326 5.318 1.00 0.00 N flip ATOM 0 H GLN A 52 1.508 -7.441 1.534 1.00 0.00 H new ATOM 0 HA GLN A 52 3.716 -6.563 3.390 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.430 -9.149 1.745 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.920 -8.646 2.519 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.540 -8.640 4.321 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.987 -10.226 3.724 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.510 -11.199 5.011 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.716 -10.345 5.980 1.00 0.00 H new ATOM 876 N PHE A 53 3.793 -5.158 1.183 1.00 0.00 N ATOM 877 CA PHE A 53 4.340 -4.433 0.002 1.00 0.00 C ATOM 878 C PHE A 53 5.618 -3.690 0.394 1.00 0.00 C ATOM 879 O PHE A 53 6.385 -3.265 -0.447 1.00 0.00 O ATOM 880 CB PHE A 53 3.245 -3.444 -0.400 1.00 0.00 C ATOM 881 CG PHE A 53 3.745 -2.580 -1.535 1.00 0.00 C ATOM 882 CD1 PHE A 53 4.522 -3.142 -2.555 1.00 0.00 C ATOM 883 CD2 PHE A 53 3.431 -1.216 -1.565 1.00 0.00 C ATOM 884 CE1 PHE A 53 4.986 -2.341 -3.605 1.00 0.00 C ATOM 885 CE2 PHE A 53 3.895 -0.415 -2.616 1.00 0.00 C ATOM 886 CZ PHE A 53 4.672 -0.977 -3.636 1.00 0.00 C ATOM 0 H PHE A 53 3.310 -4.574 1.866 1.00 0.00 H new ATOM 0 HA PHE A 53 4.598 -5.105 -0.816 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.347 -3.982 -0.705 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.970 -2.822 0.452 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.764 -4.194 -2.532 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.832 -0.782 -0.778 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.586 -2.775 -4.391 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.653 0.637 -2.640 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.029 -0.359 -4.446 1.00 0.00 H new ATOM 896 N SER A 54 5.851 -3.532 1.668 1.00 0.00 N ATOM 897 CA SER A 54 7.080 -2.818 2.120 1.00 0.00 C ATOM 898 C SER A 54 7.127 -1.413 1.514 1.00 0.00 C ATOM 899 O SER A 54 7.903 -1.138 0.621 1.00 0.00 O ATOM 900 CB SER A 54 8.242 -3.663 1.602 1.00 0.00 C ATOM 901 OG SER A 54 9.471 -3.071 2.008 1.00 0.00 O ATOM 0 H SER A 54 5.244 -3.866 2.416 1.00 0.00 H new ATOM 0 HA SER A 54 7.114 -2.699 3.203 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.169 -4.679 1.990 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.200 -3.733 0.515 1.00 0.00 H new ATOM 0 HG SER A 54 10.219 -3.612 1.679 1.00 0.00 H new ATOM 907 N GLY A 55 6.302 -0.520 1.993 1.00 0.00 N ATOM 908 CA GLY A 55 6.304 0.864 1.443 1.00 0.00 C ATOM 909 C GLY A 55 5.167 1.671 2.070 1.00 0.00 C ATOM 910 O GLY A 55 5.316 2.841 2.366 1.00 0.00 O ATOM 0 H GLY A 55 5.629 -0.690 2.740 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.260 1.345 1.648 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.187 0.835 0.360 1.00 0.00 H new ATOM 914 N PHE A 56 4.030 1.067 2.272 1.00 0.00 N ATOM 915 CA PHE A 56 2.893 1.815 2.875 1.00 0.00 C ATOM 916 C PHE A 56 3.369 2.642 4.080 1.00 0.00 C ATOM 917 O PHE A 56 3.402 3.854 4.009 1.00 0.00 O ATOM 918 CB PHE A 56 1.881 0.743 3.285 1.00 0.00 C ATOM 919 CG PHE A 56 0.973 0.442 2.120 1.00 0.00 C ATOM 920 CD1 PHE A 56 1.448 -0.316 1.045 1.00 0.00 C ATOM 921 CD2 PHE A 56 -0.343 0.921 2.114 1.00 0.00 C ATOM 922 CE1 PHE A 56 0.609 -0.597 -0.038 1.00 0.00 C ATOM 923 CE2 PHE A 56 -1.183 0.639 1.030 1.00 0.00 C ATOM 924 CZ PHE A 56 -0.706 -0.120 -0.045 1.00 0.00 C ATOM 0 H PHE A 56 3.839 0.091 2.046 1.00 0.00 H new ATOM 0 HA PHE A 56 2.450 2.529 2.180 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.400 -0.162 3.599 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.295 1.087 4.138 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.463 -0.685 1.051 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.709 1.507 2.944 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.976 -1.182 -0.868 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.198 1.007 1.023 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.354 -0.338 -0.881 1.00 0.00 H new ATOM 934 N PRO A 57 3.726 1.975 5.153 1.00 0.00 N ATOM 935 CA PRO A 57 4.202 2.701 6.359 1.00 0.00 C ATOM 936 C PRO A 57 5.640 3.204 6.157 1.00 0.00 C ATOM 937 O PRO A 57 6.494 3.002 6.998 1.00 0.00 O ATOM 938 CB PRO A 57 4.168 1.633 7.449 1.00 0.00 C ATOM 939 CG PRO A 57 4.329 0.338 6.722 1.00 0.00 C ATOM 940 CD PRO A 57 3.721 0.520 5.357 1.00 0.00 C ATOM 0 HA PRO A 57 3.598 3.578 6.592 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.969 1.782 8.173 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.229 1.662 8.002 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.382 0.069 6.642 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.834 -0.470 7.260 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.302 0.008 4.590 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.710 0.115 5.314 1.00 0.00 H new ATOM 948 N PHE A 58 5.924 3.847 5.054 1.00 0.00 N ATOM 949 CA PHE A 58 7.317 4.340 4.825 1.00 0.00 C ATOM 950 C PHE A 58 7.473 5.798 5.280 1.00 0.00 C ATOM 951 O PHE A 58 7.005 6.178 6.335 1.00 0.00 O ATOM 952 CB PHE A 58 7.561 4.191 3.318 1.00 0.00 C ATOM 953 CG PHE A 58 6.761 5.205 2.522 1.00 0.00 C ATOM 954 CD1 PHE A 58 5.718 5.937 3.112 1.00 0.00 C ATOM 955 CD2 PHE A 58 7.070 5.405 1.170 1.00 0.00 C ATOM 956 CE1 PHE A 58 4.996 6.864 2.349 1.00 0.00 C ATOM 957 CE2 PHE A 58 6.346 6.331 0.411 1.00 0.00 C ATOM 958 CZ PHE A 58 5.310 7.060 1.001 1.00 0.00 C ATOM 0 H PHE A 58 5.259 4.051 4.308 1.00 0.00 H new ATOM 0 HA PHE A 58 8.046 3.772 5.404 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.623 4.317 3.106 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.290 3.184 3.002 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.473 5.786 4.153 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.870 4.842 0.712 1.00 0.00 H new ATOM 0 HE1 PHE A 58 4.195 7.428 2.803 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.588 6.482 -0.631 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.752 7.775 0.415 1.00 0.00 H new ATOM 968 N GLU A 59 8.136 6.615 4.503 1.00 0.00 N ATOM 969 CA GLU A 59 8.324 8.038 4.913 1.00 0.00 C ATOM 970 C GLU A 59 7.654 8.990 3.921 1.00 0.00 C ATOM 971 O GLU A 59 6.895 8.587 3.062 1.00 0.00 O ATOM 972 CB GLU A 59 9.838 8.257 4.904 1.00 0.00 C ATOM 973 CG GLU A 59 10.424 7.833 6.252 1.00 0.00 C ATOM 974 CD GLU A 59 11.733 8.584 6.500 1.00 0.00 C ATOM 975 OE1 GLU A 59 11.826 9.726 6.085 1.00 0.00 O ATOM 976 OE2 GLU A 59 12.622 8.002 7.101 1.00 0.00 O ATOM 0 H GLU A 59 8.553 6.360 3.608 1.00 0.00 H new ATOM 0 HA GLU A 59 7.877 8.235 5.888 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.295 7.680 4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.063 9.306 4.712 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.714 8.045 7.052 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.602 6.758 6.261 1.00 0.00 H new ATOM 983 N LYS A 60 7.942 10.258 4.040 1.00 0.00 N ATOM 984 CA LYS A 60 7.343 11.259 3.115 1.00 0.00 C ATOM 985 C LYS A 60 8.370 12.351 2.800 1.00 0.00 C ATOM 986 O LYS A 60 9.554 12.182 3.018 1.00 0.00 O ATOM 987 CB LYS A 60 6.155 11.846 3.880 1.00 0.00 C ATOM 988 CG LYS A 60 6.656 12.516 5.162 1.00 0.00 C ATOM 989 CD LYS A 60 5.806 13.752 5.460 1.00 0.00 C ATOM 990 CE LYS A 60 6.419 14.973 4.769 1.00 0.00 C ATOM 991 NZ LYS A 60 5.255 15.799 4.340 1.00 0.00 N ATOM 0 H LYS A 60 8.571 10.645 4.744 1.00 0.00 H new ATOM 0 HA LYS A 60 7.036 10.819 2.166 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.631 12.572 3.258 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.440 11.060 4.123 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.602 11.816 5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.703 12.800 5.051 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.785 13.597 5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.752 13.919 6.536 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.067 15.527 5.448 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.030 14.678 3.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.508 16.807 4.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.995 15.552 3.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.448 15.616 4.970 1.00 0.00 H new ATOM 1005 N GLY A 61 7.930 13.468 2.291 1.00 0.00 N ATOM 1006 CA GLY A 61 8.885 14.567 1.965 1.00 0.00 C ATOM 1007 C GLY A 61 9.892 14.083 0.917 1.00 0.00 C ATOM 1008 O GLY A 61 10.894 14.722 0.667 1.00 0.00 O ATOM 0 H GLY A 61 6.951 13.669 2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.342 15.434 1.588 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.409 14.886 2.866 1.00 0.00 H new ATOM 1012 N SER A 62 9.636 12.958 0.306 1.00 0.00 N ATOM 1013 CA SER A 62 10.583 12.436 -0.724 1.00 0.00 C ATOM 1014 C SER A 62 9.964 12.537 -2.122 1.00 0.00 C ATOM 1015 O SER A 62 8.791 12.810 -2.276 1.00 0.00 O ATOM 1016 CB SER A 62 10.810 10.974 -0.346 1.00 0.00 C ATOM 1017 OG SER A 62 11.438 10.909 0.927 1.00 0.00 O ATOM 0 H SER A 62 8.814 12.378 0.474 1.00 0.00 H new ATOM 0 HA SER A 62 11.514 13.003 -0.750 1.00 0.00 H new ATOM 0 HB2 SER A 62 9.860 10.441 -0.323 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.432 10.485 -1.096 1.00 0.00 H new ATOM 0 HG SER A 62 10.795 11.162 1.622 1.00 0.00 H new ATOM 1023 N VAL A 63 10.744 12.315 -3.144 1.00 0.00 N ATOM 1024 CA VAL A 63 10.194 12.393 -4.529 1.00 0.00 C ATOM 1025 C VAL A 63 8.908 11.572 -4.624 1.00 0.00 C ATOM 1026 O VAL A 63 7.913 12.010 -5.170 1.00 0.00 O ATOM 1027 CB VAL A 63 11.282 11.794 -5.422 1.00 0.00 C ATOM 1028 CG1 VAL A 63 10.877 11.946 -6.890 1.00 0.00 C ATOM 1029 CG2 VAL A 63 12.603 12.527 -5.181 1.00 0.00 C ATOM 0 H VAL A 63 11.735 12.084 -3.082 1.00 0.00 H new ATOM 0 HA VAL A 63 9.946 13.413 -4.822 1.00 0.00 H new ATOM 0 HB VAL A 63 11.404 10.737 -5.185 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.652 11.519 -7.527 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.936 11.424 -7.064 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.754 13.003 -7.126 1.00 0.00 H new ATOM 0 HG21 VAL A 63 13.378 12.100 -5.818 1.00 0.00 H new ATOM 0 HG22 VAL A 63 12.481 13.584 -5.418 1.00 0.00 H new ATOM 0 HG23 VAL A 63 12.893 12.420 -4.136 1.00 0.00 H new ATOM 1039 N GLN A 64 8.920 10.381 -4.091 1.00 0.00 N ATOM 1040 CA GLN A 64 7.698 9.528 -4.145 1.00 0.00 C ATOM 1041 C GLN A 64 6.557 10.206 -3.387 1.00 0.00 C ATOM 1042 O GLN A 64 5.428 10.231 -3.836 1.00 0.00 O ATOM 1043 CB GLN A 64 8.098 8.218 -3.462 1.00 0.00 C ATOM 1044 CG GLN A 64 8.525 8.503 -2.020 1.00 0.00 C ATOM 1045 CD GLN A 64 9.347 7.326 -1.490 1.00 0.00 C ATOM 1046 OE1 GLN A 64 9.401 6.281 -2.107 1.00 0.00 O ATOM 1047 NE2 GLN A 64 9.994 7.452 -0.363 1.00 0.00 N ATOM 0 H GLN A 64 9.722 9.962 -3.621 1.00 0.00 H new ATOM 0 HA GLN A 64 7.350 9.362 -5.164 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.261 7.520 -3.473 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.915 7.746 -4.008 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.113 9.420 -1.978 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.647 8.659 -1.393 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.949 8.329 0.156 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.544 6.673 -0.001 1.00 0.00 H new ATOM 1056 N TYR A 65 6.842 10.761 -2.241 1.00 0.00 N ATOM 1057 CA TYR A 65 5.775 11.444 -1.459 1.00 0.00 C ATOM 1058 C TYR A 65 5.022 12.432 -2.358 1.00 0.00 C ATOM 1059 O TYR A 65 3.811 12.397 -2.450 1.00 0.00 O ATOM 1060 CB TYR A 65 6.521 12.166 -0.336 1.00 0.00 C ATOM 1061 CG TYR A 65 5.673 13.284 0.216 1.00 0.00 C ATOM 1062 CD1 TYR A 65 4.523 12.995 0.959 1.00 0.00 C ATOM 1063 CD2 TYR A 65 6.046 14.612 -0.010 1.00 0.00 C ATOM 1064 CE1 TYR A 65 3.745 14.038 1.474 1.00 0.00 C ATOM 1065 CE2 TYR A 65 5.271 15.654 0.505 1.00 0.00 C ATOM 1066 CZ TYR A 65 4.118 15.368 1.247 1.00 0.00 C ATOM 1067 OH TYR A 65 3.351 16.397 1.756 1.00 0.00 O ATOM 0 H TYR A 65 7.768 10.771 -1.813 1.00 0.00 H new ATOM 0 HA TYR A 65 5.028 10.755 -1.064 1.00 0.00 H new ATOM 0 HB2 TYR A 65 6.769 11.461 0.458 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.463 12.566 -0.713 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.236 11.969 1.135 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.934 14.833 -0.583 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.857 13.817 2.047 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.561 16.680 0.331 1.00 0.00 H new ATOM 0 HH TYR A 65 3.751 17.257 1.508 1.00 0.00 H new ATOM 1077 N LYS A 66 5.726 13.301 -3.037 1.00 0.00 N ATOM 1078 CA LYS A 66 5.032 14.265 -3.940 1.00 0.00 C ATOM 1079 C LYS A 66 4.110 13.486 -4.878 1.00 0.00 C ATOM 1080 O LYS A 66 2.955 13.830 -5.074 1.00 0.00 O ATOM 1081 CB LYS A 66 6.146 14.958 -4.726 1.00 0.00 C ATOM 1082 CG LYS A 66 6.909 15.910 -3.802 1.00 0.00 C ATOM 1083 CD LYS A 66 8.380 15.956 -4.219 1.00 0.00 C ATOM 1084 CE LYS A 66 8.706 17.333 -4.803 1.00 0.00 C ATOM 1085 NZ LYS A 66 7.949 17.398 -6.084 1.00 0.00 N ATOM 0 H LYS A 66 6.742 13.384 -3.006 1.00 0.00 H new ATOM 0 HA LYS A 66 4.423 14.990 -3.401 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.827 14.216 -5.143 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.724 15.510 -5.565 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.474 16.908 -3.852 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.823 15.576 -2.768 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.019 15.754 -3.359 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.584 15.180 -4.956 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.403 18.131 -4.125 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.777 17.447 -4.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.321 18.174 -6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.055 16.499 -6.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.942 17.567 -5.884 1.00 0.00 H new ATOM 1099 N LYS A 67 4.610 12.419 -5.443 1.00 0.00 N ATOM 1100 CA LYS A 67 3.765 11.593 -6.346 1.00 0.00 C ATOM 1101 C LYS A 67 2.399 11.399 -5.694 1.00 0.00 C ATOM 1102 O LYS A 67 1.382 11.805 -6.223 1.00 0.00 O ATOM 1103 CB LYS A 67 4.501 10.258 -6.474 1.00 0.00 C ATOM 1104 CG LYS A 67 4.248 9.666 -7.862 1.00 0.00 C ATOM 1105 CD LYS A 67 5.554 9.656 -8.657 1.00 0.00 C ATOM 1106 CE LYS A 67 5.447 10.638 -9.826 1.00 0.00 C ATOM 1107 NZ LYS A 67 6.843 11.095 -10.077 1.00 0.00 N ATOM 0 H LYS A 67 5.566 12.086 -5.317 1.00 0.00 H new ATOM 0 HA LYS A 67 3.607 12.050 -7.323 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.570 10.404 -6.319 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.158 9.567 -5.704 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.857 8.653 -7.771 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.494 10.252 -8.387 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.387 9.932 -8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.758 8.652 -9.029 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.025 10.157 -10.708 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.796 11.476 -9.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.850 11.772 -10.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.216 11.556 -9.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.438 10.277 -10.317 1.00 0.00 H new ATOM 1121 N LYS A 68 2.368 10.795 -4.537 1.00 0.00 N ATOM 1122 CA LYS A 68 1.070 10.596 -3.845 1.00 0.00 C ATOM 1123 C LYS A 68 0.268 11.893 -3.902 1.00 0.00 C ATOM 1124 O LYS A 68 -0.913 11.888 -4.140 1.00 0.00 O ATOM 1125 CB LYS A 68 1.432 10.244 -2.403 1.00 0.00 C ATOM 1126 CG LYS A 68 1.575 8.727 -2.270 1.00 0.00 C ATOM 1127 CD LYS A 68 0.190 8.090 -2.159 1.00 0.00 C ATOM 1128 CE LYS A 68 0.298 6.584 -2.408 1.00 0.00 C ATOM 1129 NZ LYS A 68 -0.249 6.375 -3.780 1.00 0.00 N ATOM 0 H LYS A 68 3.185 10.433 -4.045 1.00 0.00 H new ATOM 0 HA LYS A 68 0.463 9.815 -4.302 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.364 10.734 -2.120 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.661 10.608 -1.724 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.104 8.324 -3.134 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.170 8.483 -1.390 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.229 8.276 -1.170 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.488 8.541 -2.883 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.332 6.247 -2.341 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.270 6.021 -1.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.207 5.364 -4.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.237 6.698 -3.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.315 6.917 -4.465 1.00 0.00 H new ATOM 1143 N GLU A 69 0.902 13.011 -3.701 1.00 0.00 N ATOM 1144 CA GLU A 69 0.154 14.297 -3.764 1.00 0.00 C ATOM 1145 C GLU A 69 -0.789 14.285 -4.972 1.00 0.00 C ATOM 1146 O GLU A 69 -2.000 14.333 -4.836 1.00 0.00 O ATOM 1147 CB GLU A 69 1.228 15.373 -3.932 1.00 0.00 C ATOM 1148 CG GLU A 69 0.790 16.651 -3.213 1.00 0.00 C ATOM 1149 CD GLU A 69 0.666 17.791 -4.226 1.00 0.00 C ATOM 1150 OE1 GLU A 69 0.147 17.546 -5.303 1.00 0.00 O ATOM 1151 OE2 GLU A 69 1.092 18.889 -3.907 1.00 0.00 O ATOM 0 H GLU A 69 1.898 13.092 -3.497 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.456 14.471 -2.878 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.176 15.021 -3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.391 15.577 -4.990 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.165 16.490 -2.712 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.514 16.913 -2.442 1.00 0.00 H new ATOM 1158 N GLU A 70 -0.245 14.211 -6.154 1.00 0.00 N ATOM 1159 CA GLU A 70 -1.110 14.194 -7.371 1.00 0.00 C ATOM 1160 C GLU A 70 -1.746 12.814 -7.571 1.00 0.00 C ATOM 1161 O GLU A 70 -2.945 12.690 -7.744 1.00 0.00 O ATOM 1162 CB GLU A 70 -0.166 14.513 -8.530 1.00 0.00 C ATOM 1163 CG GLU A 70 -0.955 15.174 -9.663 1.00 0.00 C ATOM 1164 CD GLU A 70 -1.198 16.645 -9.324 1.00 0.00 C ATOM 1165 OE1 GLU A 70 -0.240 17.401 -9.335 1.00 0.00 O ATOM 1166 OE2 GLU A 70 -2.337 16.992 -9.061 1.00 0.00 O ATOM 0 H GLU A 70 0.758 14.162 -6.332 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.930 14.908 -7.294 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.631 15.176 -8.192 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.309 13.600 -8.888 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.404 15.092 -10.600 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.906 14.661 -9.806 1.00 0.00 H new ATOM 1173 N MET A 71 -0.954 11.779 -7.559 1.00 0.00 N ATOM 1174 CA MET A 71 -1.512 10.411 -7.759 1.00 0.00 C ATOM 1175 C MET A 71 -2.646 10.145 -6.766 1.00 0.00 C ATOM 1176 O MET A 71 -3.681 9.620 -7.123 1.00 0.00 O ATOM 1177 CB MET A 71 -0.339 9.466 -7.503 1.00 0.00 C ATOM 1178 CG MET A 71 0.568 9.437 -8.734 1.00 0.00 C ATOM 1179 SD MET A 71 -0.161 8.364 -9.996 1.00 0.00 S ATOM 1180 CE MET A 71 0.900 6.925 -9.710 1.00 0.00 C ATOM 0 H MET A 71 0.056 11.820 -7.419 1.00 0.00 H new ATOM 0 HA MET A 71 -1.933 10.280 -8.756 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.224 9.796 -6.630 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.706 8.463 -7.285 1.00 0.00 H new ATOM 0 HG2 MET A 71 0.696 10.445 -9.128 1.00 0.00 H new ATOM 0 HG3 MET A 71 1.559 9.074 -8.461 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.363 6.017 -9.984 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.801 7.011 -10.317 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.176 6.880 -8.656 1.00 0.00 H new ATOM 1190 N LEU A 72 -2.459 10.500 -5.525 1.00 0.00 N ATOM 1191 CA LEU A 72 -3.529 10.259 -4.511 1.00 0.00 C ATOM 1192 C LEU A 72 -4.749 11.129 -4.815 1.00 0.00 C ATOM 1193 O LEU A 72 -5.859 10.768 -4.499 1.00 0.00 O ATOM 1194 CB LEU A 72 -2.918 10.620 -3.149 1.00 0.00 C ATOM 1195 CG LEU A 72 -3.068 12.122 -2.873 1.00 0.00 C ATOM 1196 CD1 LEU A 72 -4.465 12.405 -2.320 1.00 0.00 C ATOM 1197 CD2 LEU A 72 -2.020 12.560 -1.848 1.00 0.00 C ATOM 0 H LEU A 72 -1.614 10.946 -5.168 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.868 9.223 -4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.409 10.049 -2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.863 10.345 -3.133 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.925 12.675 -3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.570 13.472 -2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.214 12.094 -3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.608 11.851 -1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.126 13.627 -1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.163 12.005 -0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.022 12.361 -2.240 1.00 0.00 H new ATOM 1209 N LYS A 73 -4.561 12.269 -5.426 1.00 0.00 N ATOM 1210 CA LYS A 73 -5.738 13.130 -5.744 1.00 0.00 C ATOM 1211 C LYS A 73 -6.676 12.374 -6.693 1.00 0.00 C ATOM 1212 O LYS A 73 -7.765 11.959 -6.321 1.00 0.00 O ATOM 1213 CB LYS A 73 -5.157 14.368 -6.430 1.00 0.00 C ATOM 1214 CG LYS A 73 -4.535 15.290 -5.380 1.00 0.00 C ATOM 1215 CD LYS A 73 -5.380 16.559 -5.250 1.00 0.00 C ATOM 1216 CE LYS A 73 -4.484 17.787 -5.417 1.00 0.00 C ATOM 1217 NZ LYS A 73 -4.027 18.119 -4.039 1.00 0.00 N ATOM 0 H LYS A 73 -3.655 12.638 -5.716 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.315 13.400 -4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.404 14.072 -7.161 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.940 14.896 -6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.478 14.778 -4.419 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.515 15.547 -5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.166 16.564 -6.005 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.871 16.584 -4.277 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.640 17.574 -6.072 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.031 18.618 -5.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.406 18.953 -4.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.852 18.324 -3.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.503 17.312 -3.643 1.00 0.00 H new ATOM 1231 N LYS A 74 -6.259 12.173 -7.914 1.00 0.00 N ATOM 1232 CA LYS A 74 -7.123 11.425 -8.869 1.00 0.00 C ATOM 1233 C LYS A 74 -7.564 10.119 -8.210 1.00 0.00 C ATOM 1234 O LYS A 74 -8.729 9.757 -8.223 1.00 0.00 O ATOM 1235 CB LYS A 74 -6.237 11.150 -10.085 1.00 0.00 C ATOM 1236 CG LYS A 74 -6.848 11.814 -11.321 1.00 0.00 C ATOM 1237 CD LYS A 74 -5.734 12.211 -12.291 1.00 0.00 C ATOM 1238 CE LYS A 74 -6.265 13.253 -13.277 1.00 0.00 C ATOM 1239 NZ LYS A 74 -6.941 12.462 -14.344 1.00 0.00 N ATOM 0 H LYS A 74 -5.365 12.492 -8.288 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.020 11.974 -9.155 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.232 11.535 -9.911 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.143 10.076 -10.245 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.542 11.130 -11.809 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.421 12.694 -11.028 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.885 12.615 -11.740 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.376 11.334 -12.830 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.961 13.937 -12.792 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.456 13.858 -13.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.332 13.107 -15.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.253 11.824 -14.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.711 11.901 -13.926 1.00 0.00 H new ATOM 1253 N PHE A 75 -6.641 9.421 -7.607 1.00 0.00 N ATOM 1254 CA PHE A 75 -7.003 8.157 -6.916 1.00 0.00 C ATOM 1255 C PHE A 75 -8.014 8.471 -5.822 1.00 0.00 C ATOM 1256 O PHE A 75 -8.900 7.696 -5.532 1.00 0.00 O ATOM 1257 CB PHE A 75 -5.701 7.652 -6.298 1.00 0.00 C ATOM 1258 CG PHE A 75 -4.994 6.742 -7.274 1.00 0.00 C ATOM 1259 CD1 PHE A 75 -5.717 5.772 -7.977 1.00 0.00 C ATOM 1260 CD2 PHE A 75 -3.613 6.863 -7.469 1.00 0.00 C ATOM 1261 CE1 PHE A 75 -5.061 4.925 -8.877 1.00 0.00 C ATOM 1262 CE2 PHE A 75 -2.956 6.016 -8.370 1.00 0.00 C ATOM 1263 CZ PHE A 75 -3.680 5.046 -9.073 1.00 0.00 C ATOM 0 H PHE A 75 -5.654 9.673 -7.564 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.443 7.418 -7.586 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.059 8.494 -6.040 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.910 7.116 -5.372 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.782 5.677 -7.825 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.054 7.610 -6.924 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.620 4.178 -9.421 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.891 6.111 -8.522 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.173 4.391 -9.766 1.00 0.00 H new ATOM 1273 N ARG A 76 -7.892 9.618 -5.218 1.00 0.00 N ATOM 1274 CA ARG A 76 -8.849 9.997 -4.153 1.00 0.00 C ATOM 1275 C ARG A 76 -10.256 9.666 -4.630 1.00 0.00 C ATOM 1276 O ARG A 76 -11.004 8.975 -3.973 1.00 0.00 O ATOM 1277 CB ARG A 76 -8.672 11.507 -3.976 1.00 0.00 C ATOM 1278 CG ARG A 76 -9.235 11.935 -2.624 1.00 0.00 C ATOM 1279 CD ARG A 76 -10.493 12.773 -2.843 1.00 0.00 C ATOM 1280 NE ARG A 76 -10.006 14.177 -2.928 1.00 0.00 N ATOM 1281 CZ ARG A 76 -9.994 14.795 -4.077 1.00 0.00 C ATOM 1282 NH1 ARG A 76 -11.117 15.173 -4.624 1.00 0.00 N ATOM 1283 NH2 ARG A 76 -8.861 15.035 -4.678 1.00 0.00 N ATOM 0 H ARG A 76 -7.168 10.308 -5.419 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.682 9.471 -3.213 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.616 11.769 -4.041 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.182 12.039 -4.779 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.469 11.058 -2.021 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.491 12.511 -2.074 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -11.011 12.478 -3.756 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.199 12.648 -2.022 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.682 14.656 -2.088 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -12.002 14.985 -4.153 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.109 15.656 -5.522 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.984 14.739 -4.250 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.853 15.518 -5.576 1.00 0.00 H new ATOM 1297 N ASN A 77 -10.613 10.139 -5.788 1.00 0.00 N ATOM 1298 CA ASN A 77 -11.971 9.835 -6.320 1.00 0.00 C ATOM 1299 C ASN A 77 -12.119 8.327 -6.576 1.00 0.00 C ATOM 1300 O ASN A 77 -12.902 7.650 -5.934 1.00 0.00 O ATOM 1301 CB ASN A 77 -12.066 10.614 -7.633 1.00 0.00 C ATOM 1302 CG ASN A 77 -12.616 12.015 -7.358 1.00 0.00 C ATOM 1303 OD1 ASN A 77 -13.552 12.449 -8.000 1.00 0.00 O ATOM 1304 ND2 ASN A 77 -12.069 12.746 -6.426 1.00 0.00 N ATOM 0 H ASN A 77 -10.028 10.720 -6.388 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.759 10.115 -5.621 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -11.083 10.683 -8.099 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -12.715 10.088 -8.334 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -12.427 13.682 -6.236 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.283 12.381 -5.887 1.00 0.00 H new ATOM 1311 N ALA A 78 -11.381 7.802 -7.516 1.00 0.00 N ATOM 1312 CA ALA A 78 -11.488 6.342 -7.829 1.00 0.00 C ATOM 1313 C ALA A 78 -10.894 5.483 -6.707 1.00 0.00 C ATOM 1314 O ALA A 78 -11.592 4.726 -6.058 1.00 0.00 O ATOM 1315 CB ALA A 78 -10.683 6.160 -9.113 1.00 0.00 C ATOM 0 H ALA A 78 -10.708 8.318 -8.082 1.00 0.00 H new ATOM 0 HA ALA A 78 -12.527 6.031 -7.934 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.710 5.113 -9.414 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.114 6.775 -9.903 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.650 6.462 -8.941 1.00 0.00 H new ATOM 1321 N MET A 79 -9.608 5.581 -6.489 1.00 0.00 N ATOM 1322 CA MET A 79 -8.959 4.761 -5.424 1.00 0.00 C ATOM 1323 C MET A 79 -9.862 4.652 -4.195 1.00 0.00 C ATOM 1324 O MET A 79 -10.227 3.570 -3.785 1.00 0.00 O ATOM 1325 CB MET A 79 -7.663 5.493 -5.068 1.00 0.00 C ATOM 1326 CG MET A 79 -6.688 4.509 -4.413 1.00 0.00 C ATOM 1327 SD MET A 79 -5.009 4.808 -5.023 1.00 0.00 S ATOM 1328 CE MET A 79 -4.876 3.332 -6.062 1.00 0.00 C ATOM 0 H MET A 79 -8.978 6.196 -7.005 1.00 0.00 H new ATOM 0 HA MET A 79 -8.769 3.744 -5.767 1.00 0.00 H new ATOM 0 HB2 MET A 79 -7.216 5.922 -5.965 1.00 0.00 H new ATOM 0 HB3 MET A 79 -7.874 6.320 -4.390 1.00 0.00 H new ATOM 0 HG2 MET A 79 -6.716 4.622 -3.329 1.00 0.00 H new ATOM 0 HG3 MET A 79 -6.988 3.485 -4.634 1.00 0.00 H new ATOM 0 HE1 MET A 79 -4.009 3.425 -6.716 1.00 0.00 H new ATOM 0 HE2 MET A 79 -4.761 2.451 -5.430 1.00 0.00 H new ATOM 0 HE3 MET A 79 -5.777 3.230 -6.666 1.00 0.00 H new ATOM 1338 N LEU A 80 -10.234 5.753 -3.601 1.00 0.00 N ATOM 1339 CA LEU A 80 -11.112 5.665 -2.401 1.00 0.00 C ATOM 1340 C LEU A 80 -12.329 4.794 -2.710 1.00 0.00 C ATOM 1341 O LEU A 80 -12.703 3.942 -1.933 1.00 0.00 O ATOM 1342 CB LEU A 80 -11.535 7.097 -2.095 1.00 0.00 C ATOM 1343 CG LEU A 80 -10.298 7.929 -1.751 1.00 0.00 C ATOM 1344 CD1 LEU A 80 -10.738 9.294 -1.222 1.00 0.00 C ATOM 1345 CD2 LEU A 80 -9.482 7.209 -0.675 1.00 0.00 C ATOM 0 H LEU A 80 -9.973 6.696 -3.889 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.601 5.213 -1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.049 7.528 -2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.239 7.110 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.688 8.060 -2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.859 9.889 -0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.323 9.808 -1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -11.347 9.159 -0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.601 7.801 -0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.092 7.079 0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.171 6.233 -1.047 1.00 0.00 H new ATOM 1357 N LYS A 81 -12.945 4.991 -3.845 1.00 0.00 N ATOM 1358 CA LYS A 81 -14.130 4.154 -4.190 1.00 0.00 C ATOM 1359 C LYS A 81 -13.846 2.689 -3.844 1.00 0.00 C ATOM 1360 O LYS A 81 -14.411 2.135 -2.919 1.00 0.00 O ATOM 1361 CB LYS A 81 -14.315 4.325 -5.700 1.00 0.00 C ATOM 1362 CG LYS A 81 -15.785 4.622 -6.005 1.00 0.00 C ATOM 1363 CD LYS A 81 -15.928 6.073 -6.471 1.00 0.00 C ATOM 1364 CE LYS A 81 -15.900 7.007 -5.258 1.00 0.00 C ATOM 1365 NZ LYS A 81 -17.160 7.795 -5.352 1.00 0.00 N ATOM 0 H LYS A 81 -12.682 5.688 -4.542 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.024 4.449 -3.640 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.686 5.137 -6.064 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -14.000 3.420 -6.220 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -16.151 3.944 -6.776 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.393 4.453 -5.116 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.120 6.327 -7.157 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -16.862 6.199 -7.019 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.855 6.443 -4.326 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.025 7.657 -5.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.214 8.459 -4.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -17.171 8.326 -6.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -17.976 7.150 -5.322 1.00 0.00 H new ATOM 1379 N SER A 82 -12.967 2.061 -4.575 1.00 0.00 N ATOM 1380 CA SER A 82 -12.643 0.634 -4.285 1.00 0.00 C ATOM 1381 C SER A 82 -11.840 0.523 -2.985 1.00 0.00 C ATOM 1382 O SER A 82 -12.206 -0.200 -2.078 1.00 0.00 O ATOM 1383 CB SER A 82 -11.803 0.170 -5.475 1.00 0.00 C ATOM 1384 OG SER A 82 -12.337 0.723 -6.671 1.00 0.00 O ATOM 0 H SER A 82 -12.460 2.472 -5.359 1.00 0.00 H new ATOM 0 HA SER A 82 -13.539 0.027 -4.155 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.767 0.483 -5.347 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.803 -0.918 -5.532 1.00 0.00 H new ATOM 0 HG SER A 82 -11.800 0.429 -7.436 1.00 0.00 H new ATOM 1390 N ILE A 83 -10.747 1.230 -2.884 1.00 0.00 N ATOM 1391 CA ILE A 83 -9.928 1.156 -1.640 1.00 0.00 C ATOM 1392 C ILE A 83 -10.830 1.260 -0.409 1.00 0.00 C ATOM 1393 O ILE A 83 -10.968 0.319 0.346 1.00 0.00 O ATOM 1394 CB ILE A 83 -8.975 2.348 -1.713 1.00 0.00 C ATOM 1395 CG1 ILE A 83 -8.016 2.164 -2.895 1.00 0.00 C ATOM 1396 CG2 ILE A 83 -8.170 2.436 -0.416 1.00 0.00 C ATOM 1397 CD1 ILE A 83 -7.438 0.748 -2.871 1.00 0.00 C ATOM 0 H ILE A 83 -10.387 1.854 -3.606 1.00 0.00 H new ATOM 0 HA ILE A 83 -9.387 0.213 -1.559 1.00 0.00 H new ATOM 0 HB ILE A 83 -9.549 3.264 -1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -8.542 2.337 -3.834 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -7.211 2.897 -2.841 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.490 3.286 -0.467 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -8.850 2.565 0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.596 1.519 -0.281 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.757 0.619 -3.712 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.897 0.592 -1.938 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.248 0.023 -2.946 1.00 0.00 H new ATOM 1409 N CYS A 84 -11.449 2.392 -0.198 1.00 0.00 N ATOM 1410 CA CYS A 84 -12.342 2.541 0.988 1.00 0.00 C ATOM 1411 C CYS A 84 -13.197 1.285 1.156 1.00 0.00 C ATOM 1412 O CYS A 84 -13.374 0.784 2.249 1.00 0.00 O ATOM 1413 CB CYS A 84 -13.227 3.750 0.681 1.00 0.00 C ATOM 1414 SG CYS A 84 -12.189 5.209 0.419 1.00 0.00 S ATOM 0 H CYS A 84 -11.375 3.217 -0.793 1.00 0.00 H new ATOM 0 HA CYS A 84 -11.779 2.678 1.912 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -13.830 3.556 -0.206 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -13.919 3.926 1.505 1.00 0.00 H new ATOM 0 HG CYS A 84 -12.911 6.283 0.542 1.00 0.00 H new ATOM 1420 N GLU A 85 -13.723 0.765 0.080 1.00 0.00 N ATOM 1421 CA GLU A 85 -14.558 -0.464 0.190 1.00 0.00 C ATOM 1422 C GLU A 85 -13.785 -1.549 0.945 1.00 0.00 C ATOM 1423 O GLU A 85 -14.365 -2.406 1.583 1.00 0.00 O ATOM 1424 CB GLU A 85 -14.825 -0.899 -1.250 1.00 0.00 C ATOM 1425 CG GLU A 85 -15.938 -1.947 -1.266 1.00 0.00 C ATOM 1426 CD GLU A 85 -16.763 -1.799 -2.545 1.00 0.00 C ATOM 1427 OE1 GLU A 85 -17.455 -0.801 -2.668 1.00 0.00 O ATOM 1428 OE2 GLU A 85 -16.689 -2.685 -3.380 1.00 0.00 O ATOM 0 H GLU A 85 -13.612 1.135 -0.864 1.00 0.00 H new ATOM 0 HA GLU A 85 -15.485 -0.289 0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.112 -0.038 -1.854 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.917 -1.310 -1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.510 -2.948 -1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.578 -1.826 -0.392 1.00 0.00 H new ATOM 1435 N VAL A 86 -12.481 -1.518 0.880 1.00 0.00 N ATOM 1436 CA VAL A 86 -11.676 -2.549 1.598 1.00 0.00 C ATOM 1437 C VAL A 86 -10.454 -1.914 2.266 1.00 0.00 C ATOM 1438 O VAL A 86 -9.481 -2.580 2.552 1.00 0.00 O ATOM 1439 CB VAL A 86 -11.241 -3.538 0.517 1.00 0.00 C ATOM 1440 CG1 VAL A 86 -10.610 -4.767 1.177 1.00 0.00 C ATOM 1441 CG2 VAL A 86 -12.463 -3.968 -0.300 1.00 0.00 C ATOM 0 H VAL A 86 -11.939 -0.826 0.363 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.248 -3.032 2.390 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.512 -3.064 -0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -10.299 -5.474 0.408 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.742 -4.461 1.761 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -11.339 -5.242 1.833 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -12.155 -4.673 -1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -13.191 -4.444 0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -12.914 -3.093 -0.768 1.00 0.00 H new ATOM 1451 N LEU A 87 -10.494 -0.635 2.524 1.00 0.00 N ATOM 1452 CA LEU A 87 -9.327 0.025 3.178 1.00 0.00 C ATOM 1453 C LEU A 87 -9.708 0.518 4.575 1.00 0.00 C ATOM 1454 O LEU A 87 -9.708 1.703 4.846 1.00 0.00 O ATOM 1455 CB LEU A 87 -8.971 1.205 2.274 1.00 0.00 C ATOM 1456 CG LEU A 87 -7.555 1.685 2.602 1.00 0.00 C ATOM 1457 CD1 LEU A 87 -6.542 0.907 1.761 1.00 0.00 C ATOM 1458 CD2 LEU A 87 -7.434 3.180 2.291 1.00 0.00 C ATOM 0 H LEU A 87 -11.280 -0.021 2.312 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.488 -0.660 3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.033 0.908 1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.685 2.016 2.418 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.354 1.517 3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.534 1.250 1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.624 -0.157 1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.744 1.072 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.425 3.520 2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.638 3.349 1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.153 3.736 2.893 1.00 0.00 H new ATOM 1470 N ASP A 88 -10.033 -0.378 5.466 1.00 0.00 N ATOM 1471 CA ASP A 88 -10.412 0.050 6.842 1.00 0.00 C ATOM 1472 C ASP A 88 -11.401 1.216 6.773 1.00 0.00 C ATOM 1473 O ASP A 88 -11.309 2.165 7.526 1.00 0.00 O ATOM 1474 CB ASP A 88 -9.100 0.495 7.490 1.00 0.00 C ATOM 1475 CG ASP A 88 -9.310 0.694 8.992 1.00 0.00 C ATOM 1476 OD1 ASP A 88 -9.144 -0.266 9.727 1.00 0.00 O ATOM 1477 OD2 ASP A 88 -9.634 1.804 9.383 1.00 0.00 O ATOM 0 H ASP A 88 -10.053 -1.384 5.302 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.896 -0.746 7.408 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.326 -0.252 7.317 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.755 1.423 7.035 1.00 0.00 H new ATOM 1482 N LEU A 89 -12.343 1.154 5.871 1.00 0.00 N ATOM 1483 CA LEU A 89 -13.334 2.264 5.752 1.00 0.00 C ATOM 1484 C LEU A 89 -14.639 1.754 5.133 1.00 0.00 C ATOM 1485 O LEU A 89 -14.913 0.570 5.122 1.00 0.00 O ATOM 1486 CB LEU A 89 -12.672 3.285 4.825 1.00 0.00 C ATOM 1487 CG LEU A 89 -12.143 4.459 5.653 1.00 0.00 C ATOM 1488 CD1 LEU A 89 -10.758 4.863 5.143 1.00 0.00 C ATOM 1489 CD2 LEU A 89 -13.098 5.648 5.521 1.00 0.00 C ATOM 0 H LEU A 89 -12.470 0.385 5.213 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.589 2.691 6.722 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.856 2.817 4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.390 3.641 4.087 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.073 4.161 6.699 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -10.382 5.699 5.733 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.076 4.018 5.235 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.828 5.160 4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.722 6.484 6.110 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.168 5.944 4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.086 5.364 5.884 1.00 0.00 H new ATOM 1501 N GLU A 90 -15.444 2.643 4.615 1.00 0.00 N ATOM 1502 CA GLU A 90 -16.729 2.218 3.992 1.00 0.00 C ATOM 1503 C GLU A 90 -17.431 3.427 3.363 1.00 0.00 C ATOM 1504 O GLU A 90 -18.642 3.513 3.339 1.00 0.00 O ATOM 1505 CB GLU A 90 -17.562 1.647 5.142 1.00 0.00 C ATOM 1506 CG GLU A 90 -18.877 1.083 4.599 1.00 0.00 C ATOM 1507 CD GLU A 90 -18.600 0.234 3.355 1.00 0.00 C ATOM 1508 OE1 GLU A 90 -18.155 -0.891 3.516 1.00 0.00 O ATOM 1509 OE2 GLU A 90 -18.837 0.724 2.263 1.00 0.00 O ATOM 0 H GLU A 90 -15.266 3.647 4.597 1.00 0.00 H new ATOM 0 HA GLU A 90 -16.583 1.485 3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -17.003 0.863 5.654 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -17.766 2.425 5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -19.367 0.478 5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -19.558 1.897 4.351 1.00 0.00 H new ATOM 1516 N ARG A 91 -16.673 4.360 2.857 1.00 0.00 N ATOM 1517 CA ARG A 91 -17.287 5.566 2.230 1.00 0.00 C ATOM 1518 C ARG A 91 -16.195 6.446 1.610 1.00 0.00 C ATOM 1519 O ARG A 91 -15.235 5.953 1.051 1.00 0.00 O ATOM 1520 CB ARG A 91 -17.986 6.292 3.381 1.00 0.00 C ATOM 1521 CG ARG A 91 -16.958 6.639 4.460 1.00 0.00 C ATOM 1522 CD ARG A 91 -17.372 7.933 5.166 1.00 0.00 C ATOM 1523 NE ARG A 91 -17.016 7.719 6.597 1.00 0.00 N ATOM 1524 CZ ARG A 91 -16.495 8.694 7.290 1.00 0.00 C ATOM 1525 NH1 ARG A 91 -15.454 9.337 6.832 1.00 0.00 N ATOM 1526 NH2 ARG A 91 -17.014 9.026 8.440 1.00 0.00 N ATOM 0 H ARG A 91 -15.653 4.340 2.850 1.00 0.00 H new ATOM 0 HA ARG A 91 -17.982 5.316 1.429 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -18.466 7.199 3.015 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -18.771 5.662 3.800 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -16.885 5.826 5.182 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -15.971 6.757 4.012 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -16.847 8.794 4.753 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -18.439 8.124 5.048 1.00 0.00 H new ATOM 0 HE ARG A 91 -17.179 6.812 7.034 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -15.049 9.077 5.933 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -15.047 10.099 7.374 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -17.827 8.523 8.797 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -16.607 9.788 8.982 1.00 0.00 H new ATOM 1540 N SER A 92 -16.328 7.741 1.703 1.00 0.00 N ATOM 1541 CA SER A 92 -15.291 8.639 1.118 1.00 0.00 C ATOM 1542 C SER A 92 -14.941 9.756 2.103 1.00 0.00 C ATOM 1543 O SER A 92 -14.003 9.651 2.868 1.00 0.00 O ATOM 1544 CB SER A 92 -15.932 9.217 -0.143 1.00 0.00 C ATOM 1545 OG SER A 92 -17.345 9.076 -0.059 1.00 0.00 O ATOM 0 H SER A 92 -17.108 8.216 2.158 1.00 0.00 H new ATOM 0 HA SER A 92 -14.364 8.109 0.897 1.00 0.00 H new ATOM 0 HB2 SER A 92 -15.666 10.268 -0.251 1.00 0.00 H new ATOM 0 HB3 SER A 92 -15.555 8.700 -1.026 1.00 0.00 H new ATOM 0 HG SER A 92 -17.759 9.447 -0.866 1.00 0.00 H new ATOM 1551 N GLY A 93 -15.688 10.826 2.089 1.00 0.00 N ATOM 1552 CA GLY A 93 -15.397 11.950 3.024 1.00 0.00 C ATOM 1553 C GLY A 93 -15.390 13.268 2.249 1.00 0.00 C ATOM 1554 O GLY A 93 -16.329 13.594 1.550 1.00 0.00 O ATOM 0 H GLY A 93 -16.487 10.971 1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -16.148 11.984 3.814 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -14.432 11.795 3.507 1.00 0.00 H new ATOM 1558 N VAL A 94 -14.337 14.031 2.366 1.00 0.00 N ATOM 1559 CA VAL A 94 -14.271 15.330 1.635 1.00 0.00 C ATOM 1560 C VAL A 94 -12.990 15.400 0.797 1.00 0.00 C ATOM 1561 O VAL A 94 -11.936 14.970 1.221 1.00 0.00 O ATOM 1562 CB VAL A 94 -14.266 16.397 2.729 1.00 0.00 C ATOM 1563 CG1 VAL A 94 -14.212 17.786 2.093 1.00 0.00 C ATOM 1564 CG2 VAL A 94 -15.541 16.272 3.568 1.00 0.00 C ATOM 0 H VAL A 94 -13.520 13.812 2.936 1.00 0.00 H new ATOM 0 HA VAL A 94 -15.104 15.463 0.945 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.393 16.256 3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -14.209 18.545 2.876 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.305 17.877 1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -15.084 17.928 1.454 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -15.539 17.033 4.349 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -16.413 16.411 2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -15.580 15.283 4.025 1.00 0.00 H new ATOM 1574 N ASN A 95 -13.078 15.936 -0.391 1.00 0.00 N ATOM 1575 CA ASN A 95 -11.870 16.031 -1.265 1.00 0.00 C ATOM 1576 C ASN A 95 -10.638 16.424 -0.444 1.00 0.00 C ATOM 1577 O ASN A 95 -9.610 15.782 -0.505 1.00 0.00 O ATOM 1578 CB ASN A 95 -12.202 17.124 -2.283 1.00 0.00 C ATOM 1579 CG ASN A 95 -13.466 16.738 -3.054 1.00 0.00 C ATOM 1580 OD1 ASN A 95 -13.489 15.742 -3.748 1.00 0.00 O ATOM 1581 ND2 ASN A 95 -14.527 17.493 -2.963 1.00 0.00 N ATOM 0 H ASN A 95 -13.935 16.313 -0.796 1.00 0.00 H new ATOM 0 HA ASN A 95 -11.638 15.079 -1.743 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -12.350 18.076 -1.774 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -11.369 17.258 -2.973 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -15.374 17.246 -3.475 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -14.509 18.330 -2.380 1.00 0.00 H new ATOM 1588 N SER A 96 -10.733 17.477 0.321 1.00 0.00 N ATOM 1589 CA SER A 96 -9.565 17.910 1.140 1.00 0.00 C ATOM 1590 C SER A 96 -9.252 16.865 2.214 1.00 0.00 C ATOM 1591 O SER A 96 -8.191 16.274 2.229 1.00 0.00 O ATOM 1592 CB SER A 96 -9.999 19.225 1.785 1.00 0.00 C ATOM 1593 OG SER A 96 -9.738 20.298 0.889 1.00 0.00 O ATOM 0 H SER A 96 -11.568 18.056 0.414 1.00 0.00 H new ATOM 0 HA SER A 96 -8.663 18.027 0.540 1.00 0.00 H new ATOM 0 HB2 SER A 96 -11.061 19.190 2.029 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.462 19.379 2.721 1.00 0.00 H new ATOM 0 HG SER A 96 -10.017 21.143 1.300 1.00 0.00 H new ATOM 1599 N GLU A 97 -10.167 16.637 3.115 1.00 0.00 N ATOM 1600 CA GLU A 97 -9.923 15.635 4.193 1.00 0.00 C ATOM 1601 C GLU A 97 -9.579 14.268 3.592 1.00 0.00 C ATOM 1602 O GLU A 97 -8.947 13.445 4.224 1.00 0.00 O ATOM 1603 CB GLU A 97 -11.237 15.562 4.968 1.00 0.00 C ATOM 1604 CG GLU A 97 -11.144 14.458 6.023 1.00 0.00 C ATOM 1605 CD GLU A 97 -12.538 14.158 6.574 1.00 0.00 C ATOM 1606 OE1 GLU A 97 -13.379 13.725 5.803 1.00 0.00 O ATOM 1607 OE2 GLU A 97 -12.744 14.368 7.758 1.00 0.00 O ATOM 0 H GLU A 97 -11.074 17.101 3.152 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.084 15.916 4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.444 16.520 5.445 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.063 15.360 4.286 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.713 13.558 5.585 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -10.481 14.768 6.831 1.00 0.00 H new ATOM 1614 N LEU A 98 -9.989 14.015 2.379 1.00 0.00 N ATOM 1615 CA LEU A 98 -9.682 12.697 1.751 1.00 0.00 C ATOM 1616 C LEU A 98 -8.198 12.623 1.388 1.00 0.00 C ATOM 1617 O LEU A 98 -7.457 11.822 1.925 1.00 0.00 O ATOM 1618 CB LEU A 98 -10.548 12.640 0.493 1.00 0.00 C ATOM 1619 CG LEU A 98 -11.996 12.343 0.886 1.00 0.00 C ATOM 1620 CD1 LEU A 98 -12.917 12.633 -0.301 1.00 0.00 C ATOM 1621 CD2 LEU A 98 -12.124 10.870 1.281 1.00 0.00 C ATOM 0 H LEU A 98 -10.522 14.661 1.797 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.889 11.862 2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.492 13.587 -0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.177 11.869 -0.182 1.00 0.00 H new ATOM 0 HG LEU A 98 -12.280 12.973 1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -13.949 12.421 -0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -12.826 13.681 -0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.633 12.003 -1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -13.156 10.657 1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.840 10.241 0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.468 10.662 2.126 1.00 0.00 H new ATOM 1633 N VAL A 99 -7.756 13.456 0.488 1.00 0.00 N ATOM 1634 CA VAL A 99 -6.318 13.437 0.101 1.00 0.00 C ATOM 1635 C VAL A 99 -5.453 13.412 1.363 1.00 0.00 C ATOM 1636 O VAL A 99 -4.641 12.527 1.559 1.00 0.00 O ATOM 1637 CB VAL A 99 -6.107 14.737 -0.681 1.00 0.00 C ATOM 1638 CG1 VAL A 99 -4.611 14.986 -0.892 1.00 0.00 C ATOM 1639 CG2 VAL A 99 -6.796 14.625 -2.044 1.00 0.00 C ATOM 0 H VAL A 99 -8.328 14.148 0.004 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.047 12.564 -0.492 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.532 15.566 -0.116 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.471 15.913 -1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.115 15.066 0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.180 14.157 -1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.648 15.549 -2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.368 13.791 -2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.863 14.455 -1.899 1.00 0.00 H new ATOM 1649 N LYS A 100 -5.630 14.372 2.225 1.00 0.00 N ATOM 1650 CA LYS A 100 -4.833 14.403 3.480 1.00 0.00 C ATOM 1651 C LYS A 100 -4.915 13.044 4.179 1.00 0.00 C ATOM 1652 O LYS A 100 -4.017 12.643 4.894 1.00 0.00 O ATOM 1653 CB LYS A 100 -5.490 15.488 4.333 1.00 0.00 C ATOM 1654 CG LYS A 100 -4.892 15.467 5.740 1.00 0.00 C ATOM 1655 CD LYS A 100 -5.485 16.612 6.562 1.00 0.00 C ATOM 1656 CE LYS A 100 -6.914 16.258 6.980 1.00 0.00 C ATOM 1657 NZ LYS A 100 -6.842 16.048 8.452 1.00 0.00 N ATOM 0 H LYS A 100 -6.294 15.138 2.114 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.777 14.609 3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.337 16.466 3.877 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.566 15.324 4.382 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.102 14.512 6.222 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.808 15.566 5.688 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.872 16.795 7.445 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.484 17.532 5.977 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.609 17.059 6.729 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.264 15.361 6.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.785 15.801 8.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.178 15.275 8.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.512 16.921 8.911 1.00 0.00 H new ATOM 1671 N ARG A 101 -5.991 12.333 3.975 1.00 0.00 N ATOM 1672 CA ARG A 101 -6.145 10.999 4.622 1.00 0.00 C ATOM 1673 C ARG A 101 -5.129 10.006 4.052 1.00 0.00 C ATOM 1674 O ARG A 101 -4.511 9.253 4.778 1.00 0.00 O ATOM 1675 CB ARG A 101 -7.568 10.561 4.280 1.00 0.00 C ATOM 1676 CG ARG A 101 -8.102 9.641 5.379 1.00 0.00 C ATOM 1677 CD ARG A 101 -9.503 9.157 5.001 1.00 0.00 C ATOM 1678 NE ARG A 101 -10.432 10.115 5.663 1.00 0.00 N ATOM 1679 CZ ARG A 101 -11.321 9.679 6.512 1.00 0.00 C ATOM 1680 NH1 ARG A 101 -12.279 8.891 6.106 1.00 0.00 N ATOM 1681 NH2 ARG A 101 -11.252 10.030 7.767 1.00 0.00 N ATOM 0 H ARG A 101 -6.773 12.620 3.386 1.00 0.00 H new ATOM 0 HA ARG A 101 -5.973 11.041 5.698 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -8.213 11.434 4.178 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -7.579 10.043 3.321 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -7.435 8.789 5.512 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -8.133 10.173 6.330 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -9.642 9.155 3.920 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -9.675 8.138 5.346 1.00 0.00 H new ATOM 0 HE ARG A 101 -10.373 11.111 5.452 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -12.332 8.616 5.125 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -12.974 8.550 6.770 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -10.503 10.645 8.084 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -11.947 9.689 8.431 1.00 0.00 H new ATOM 1695 N ILE A 102 -4.948 9.993 2.758 1.00 0.00 N ATOM 1696 CA ILE A 102 -3.967 9.039 2.162 1.00 0.00 C ATOM 1697 C ILE A 102 -2.563 9.348 2.682 1.00 0.00 C ATOM 1698 O ILE A 102 -1.737 8.471 2.829 1.00 0.00 O ATOM 1699 CB ILE A 102 -4.050 9.233 0.639 1.00 0.00 C ATOM 1700 CG1 ILE A 102 -3.255 10.475 0.216 1.00 0.00 C ATOM 1701 CG2 ILE A 102 -5.511 9.399 0.217 1.00 0.00 C ATOM 1702 CD1 ILE A 102 -1.860 10.053 -0.255 1.00 0.00 C ATOM 0 H ILE A 102 -5.432 10.596 2.093 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.188 8.006 2.430 1.00 0.00 H new ATOM 0 HB ILE A 102 -3.625 8.355 0.152 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.777 10.999 -0.584 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.173 11.170 1.052 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.564 9.536 -0.863 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.074 8.509 0.498 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.937 10.270 0.715 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.295 10.935 -0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -1.339 9.548 0.558 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -1.952 9.375 -1.103 1.00 0.00 H new ATOM 1714 N LEU A 103 -2.291 10.588 2.977 1.00 0.00 N ATOM 1715 CA LEU A 103 -0.943 10.946 3.499 1.00 0.00 C ATOM 1716 C LEU A 103 -0.851 10.593 4.984 1.00 0.00 C ATOM 1717 O LEU A 103 0.218 10.387 5.519 1.00 0.00 O ATOM 1718 CB LEU A 103 -0.822 12.453 3.281 1.00 0.00 C ATOM 1719 CG LEU A 103 -0.846 12.749 1.780 1.00 0.00 C ATOM 1720 CD1 LEU A 103 -1.812 13.900 1.499 1.00 0.00 C ATOM 1721 CD2 LEU A 103 0.558 13.132 1.309 1.00 0.00 C ATOM 0 H LEU A 103 -2.942 11.367 2.880 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.140 10.406 2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.641 12.971 3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.104 12.823 3.722 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.177 11.860 1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.827 14.109 0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.813 13.623 1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.485 14.789 2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.538 13.342 0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.893 14.019 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.245 12.308 1.504 1.00 0.00 H new ATOM 1733 N ASN A 104 -1.968 10.522 5.656 1.00 0.00 N ATOM 1734 CA ASN A 104 -1.944 10.179 7.106 1.00 0.00 C ATOM 1735 C ASN A 104 -2.047 8.662 7.297 1.00 0.00 C ATOM 1736 O ASN A 104 -1.673 8.132 8.323 1.00 0.00 O ATOM 1737 CB ASN A 104 -3.167 10.880 7.700 1.00 0.00 C ATOM 1738 CG ASN A 104 -2.839 12.352 7.953 1.00 0.00 C ATOM 1739 OD1 ASN A 104 -2.741 12.779 9.086 1.00 0.00 O ATOM 1740 ND2 ASN A 104 -2.665 13.154 6.937 1.00 0.00 N ATOM 0 H ASN A 104 -2.895 10.687 5.264 1.00 0.00 H new ATOM 0 HA ASN A 104 -1.019 10.495 7.588 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -4.014 10.797 7.018 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -3.460 10.396 8.632 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -2.447 14.138 7.095 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -2.747 12.797 5.985 1.00 0.00 H new ATOM 1747 N PHE A 105 -2.556 7.958 6.319 1.00 0.00 N ATOM 1748 CA PHE A 105 -2.682 6.477 6.459 1.00 0.00 C ATOM 1749 C PHE A 105 -1.769 5.756 5.461 1.00 0.00 C ATOM 1750 O PHE A 105 -0.828 5.088 5.841 1.00 0.00 O ATOM 1751 CB PHE A 105 -4.149 6.167 6.159 1.00 0.00 C ATOM 1752 CG PHE A 105 -4.541 4.889 6.862 1.00 0.00 C ATOM 1753 CD1 PHE A 105 -3.764 3.734 6.703 1.00 0.00 C ATOM 1754 CD2 PHE A 105 -5.676 4.860 7.681 1.00 0.00 C ATOM 1755 CE1 PHE A 105 -4.121 2.553 7.361 1.00 0.00 C ATOM 1756 CE2 PHE A 105 -6.036 3.677 8.339 1.00 0.00 C ATOM 1757 CZ PHE A 105 -5.257 2.524 8.180 1.00 0.00 C ATOM 0 H PHE A 105 -2.888 8.342 5.434 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.387 6.140 7.453 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -4.782 6.989 6.493 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.299 6.066 5.084 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -2.888 3.756 6.071 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.274 5.750 7.806 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -3.521 1.663 7.238 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -6.913 3.654 8.968 1.00 0.00 H new ATOM 0 HZ PHE A 105 -5.532 1.612 8.689 1.00 0.00 H new ATOM 1767 N LEU A 106 -2.038 5.880 4.188 1.00 0.00 N ATOM 1768 CA LEU A 106 -1.178 5.192 3.181 1.00 0.00 C ATOM 1769 C LEU A 106 0.280 5.607 3.376 1.00 0.00 C ATOM 1770 O LEU A 106 1.193 4.923 2.958 1.00 0.00 O ATOM 1771 CB LEU A 106 -1.713 5.646 1.822 1.00 0.00 C ATOM 1772 CG LEU A 106 -2.851 4.720 1.377 1.00 0.00 C ATOM 1773 CD1 LEU A 106 -2.264 3.415 0.836 1.00 0.00 C ATOM 1774 CD2 LEU A 106 -3.768 4.411 2.566 1.00 0.00 C ATOM 0 H LEU A 106 -2.811 6.424 3.804 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.207 4.106 3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -2.072 6.673 1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.912 5.634 1.083 1.00 0.00 H new ATOM 0 HG LEU A 106 -3.430 5.214 0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -3.072 2.756 0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.618 3.632 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -1.682 2.926 1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.574 3.753 2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.193 3.921 3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.190 5.339 2.951 1.00 0.00 H new ATOM 1786 N MET A 107 0.506 6.713 4.030 1.00 0.00 N ATOM 1787 CA MET A 107 1.905 7.159 4.278 1.00 0.00 C ATOM 1788 C MET A 107 2.408 6.512 5.569 1.00 0.00 C ATOM 1789 O MET A 107 3.558 6.144 5.690 1.00 0.00 O ATOM 1790 CB MET A 107 1.824 8.677 4.434 1.00 0.00 C ATOM 1791 CG MET A 107 3.113 9.319 3.916 1.00 0.00 C ATOM 1792 SD MET A 107 4.515 8.743 4.906 1.00 0.00 S ATOM 1793 CE MET A 107 4.343 9.930 6.261 1.00 0.00 C ATOM 0 H MET A 107 -0.218 7.327 4.403 1.00 0.00 H new ATOM 0 HA MET A 107 2.588 6.880 3.475 1.00 0.00 H new ATOM 0 HB2 MET A 107 0.967 9.064 3.883 1.00 0.00 H new ATOM 0 HB3 MET A 107 1.673 8.937 5.482 1.00 0.00 H new ATOM 0 HG2 MET A 107 3.264 9.061 2.868 1.00 0.00 H new ATOM 0 HG3 MET A 107 3.038 10.405 3.970 1.00 0.00 H new ATOM 0 HE1 MET A 107 5.304 10.055 6.759 1.00 0.00 H new ATOM 0 HE2 MET A 107 4.013 10.890 5.864 1.00 0.00 H new ATOM 0 HE3 MET A 107 3.608 9.561 6.977 1.00 0.00 H new ATOM 1803 N HIS A 108 1.536 6.361 6.529 1.00 0.00 N ATOM 1804 CA HIS A 108 1.930 5.726 7.817 1.00 0.00 C ATOM 1805 C HIS A 108 0.676 5.283 8.574 1.00 0.00 C ATOM 1806 O HIS A 108 0.100 6.042 9.328 1.00 0.00 O ATOM 1807 CB HIS A 108 2.680 6.807 8.593 1.00 0.00 C ATOM 1808 CG HIS A 108 4.105 6.372 8.787 1.00 0.00 C ATOM 1809 ND1 HIS A 108 4.920 5.557 8.043 1.00 0.00 N flip ATOM 1810 CD2 HIS A 108 4.866 6.781 9.871 1.00 0.00 C flip ATOM 1811 CE1 HIS A 108 6.168 5.457 8.652 1.00 0.00 C flip ATOM 1812 NE2 HIS A 108 6.080 6.214 9.751 1.00 0.00 N flip ATOM 0 H HIS A 108 0.560 6.653 6.474 1.00 0.00 H new ATOM 0 HA HIS A 108 2.551 4.842 7.673 1.00 0.00 H new ATOM 0 HB2 HIS A 108 2.646 7.752 8.051 1.00 0.00 H new ATOM 0 HB3 HIS A 108 2.203 6.976 9.559 1.00 0.00 H new ATOM 0 HD2 HIS A 108 4.543 7.436 10.667 1.00 0.00 H new ATOM 0 HE1 HIS A 108 7.022 4.891 8.311 1.00 0.00 H new ATOM 0 HE2 HIS A 108 6.841 6.345 10.417 1.00 0.00 H new ATOM 1820 N PRO A 109 0.295 4.060 8.333 1.00 0.00 N ATOM 1821 CA PRO A 109 -0.912 3.488 8.982 1.00 0.00 C ATOM 1822 C PRO A 109 -0.676 3.276 10.482 1.00 0.00 C ATOM 1823 O PRO A 109 -0.922 4.150 11.288 1.00 0.00 O ATOM 1824 CB PRO A 109 -1.102 2.154 8.263 1.00 0.00 C ATOM 1825 CG PRO A 109 0.257 1.800 7.751 1.00 0.00 C ATOM 1826 CD PRO A 109 0.949 3.098 7.441 1.00 0.00 C ATOM 0 HA PRO A 109 -1.785 4.137 8.909 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.481 1.389 8.941 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.821 2.242 7.449 1.00 0.00 H new ATOM 0 HG2 PRO A 109 0.815 1.231 8.494 1.00 0.00 H new ATOM 0 HG3 PRO A 109 0.185 1.176 6.860 1.00 0.00 H new ATOM 0 HD2 PRO A 109 2.020 3.037 7.634 1.00 0.00 H new ATOM 0 HD3 PRO A 109 0.829 3.376 6.394 1.00 0.00 H new ATOM 1834 N LYS A 110 -0.205 2.119 10.861 1.00 0.00 N ATOM 1835 CA LYS A 110 0.043 1.846 12.309 1.00 0.00 C ATOM 1836 C LYS A 110 -1.286 1.732 13.060 1.00 0.00 C ATOM 1837 O LYS A 110 -2.304 2.075 12.479 1.00 0.00 O ATOM 1838 CB LYS A 110 0.842 3.049 12.816 1.00 0.00 C ATOM 1839 CG LYS A 110 1.809 2.596 13.911 1.00 0.00 C ATOM 1840 CD LYS A 110 2.950 3.607 14.034 1.00 0.00 C ATOM 1841 CE LYS A 110 3.672 3.726 12.689 1.00 0.00 C ATOM 1842 NZ LYS A 110 5.120 3.796 13.033 1.00 0.00 N ATOM 0 H LYS A 110 0.020 1.349 10.231 1.00 0.00 H new ATOM 0 HA LYS A 110 0.579 0.910 12.463 1.00 0.00 H new ATOM 0 HB2 LYS A 110 1.394 3.504 11.994 1.00 0.00 H new ATOM 0 HB3 LYS A 110 0.166 3.810 13.206 1.00 0.00 H new ATOM 0 HG2 LYS A 110 1.283 2.508 14.862 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.207 1.609 13.674 1.00 0.00 H new ATOM 0 HD2 LYS A 110 2.559 4.578 14.336 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.649 3.290 14.808 1.00 0.00 H new ATOM 0 HE2 LYS A 110 3.459 2.869 12.050 1.00 0.00 H new ATOM 0 HE3 LYS A 110 3.352 4.616 12.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.544 4.633 12.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 5.229 3.865 14.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.600 2.939 12.691 1.00 0.00 H new