USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 661 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 68 ASN : amide:sc= 0 X(o=0.026,f=0.021) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0.0258 USER MOD Set 2.1: A 57 GLN : amide:sc= -0.202 K(o=-0.31,f=-2.6!) USER MOD Set 2.2: A 88 GLN : amide:sc= -0.107 K(o=-0.31,f=-3.2) USER MOD Set 3.1: A 19 ASN : amide:sc= 0.971 K(o=2.1,f=-1.5) USER MOD Set 3.2: A 31 GLN : amide:sc= 1.17 K(o=2.1,f=-0.62) USER MOD Single : A 17 HIS : no HE2:sc= -2.08! C(o=-2.1!,f=-3.2!) USER MOD Single : A 21 LYS NZ :NH3+ -147:sc= 1.3 (180deg=1.03) USER MOD Single : A 25 GLN : amide:sc= 0.998 K(o=1,f=-0.72) USER MOD Single : A 28 SER OG : rot -63:sc= 0.923 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.454 K(o=-0.45,f=-1.5) USER MOD Single : A 38 THR OG1 : rot -150:sc= -1.22 USER MOD Single : A 41 SER OG : rot -91:sc= 1.32 USER MOD Single : A 42 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00954) USER MOD Single : A 44 MET CE :methyl -171:sc= -0.167 (180deg=-0.373) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -74:sc= -1.53! USER MOD Single : A 51 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.45) USER MOD Single : A 54 SER OG : rot 180:sc= 0.00863 USER MOD Single : A 55 MET CE :methyl -126:sc= 0 (180deg=-0.129) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.355 USER MOD Single : A 75 GLN : amide:sc= -0.014 K(o=-0.014,f=-0.59) USER MOD Single : A 78 MET CE :methyl 141:sc= -0.715 (180deg=-2.12!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.59) USER MOD Single : A 90 GLN : amide:sc= 0.0549 K(o=0.055,f=-3.8!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.104 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD Single : B 199 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N HIS A 17 7.876 13.111 1.278 1.00 10.00 N ATOM 14 CA HIS A 17 6.802 12.141 1.429 1.00 10.00 C ATOM 15 C HIS A 17 5.453 12.763 1.093 1.00 10.00 C ATOM 16 O HIS A 17 5.106 13.839 1.588 1.00 10.00 O ATOM 17 CB HIS A 17 6.767 11.588 2.856 1.00 10.00 C ATOM 18 CG HIS A 17 7.798 10.534 3.138 1.00 10.00 C ATOM 19 ND1 HIS A 17 9.014 10.852 3.700 1.00 10.00 N ATOM 20 CD2 HIS A 17 7.732 9.190 2.962 1.00 10.00 C ATOM 21 CE1 HIS A 17 9.652 9.706 3.858 1.00 10.00 C ATOM 22 NE2 HIS A 17 8.915 8.673 3.428 1.00 10.00 N ATOM 0 HA HIS A 17 6.997 11.324 0.734 1.00 10.00 H new ATOM 0 HB2 HIS A 17 6.907 12.412 3.556 1.00 10.00 H new ATOM 0 HB3 HIS A 17 5.778 11.172 3.047 1.00 10.00 H new ATOM 0 HD1 HIS A 17 9.353 11.782 3.944 1.00 10.00 H new ATOM 0 HD2 HIS A 17 6.908 8.635 2.538 1.00 10.00 H new ATOM 0 HE1 HIS A 17 10.642 9.614 4.280 1.00 10.00 H new ATOM 30 N ILE A 18 4.695 12.072 0.258 1.00 10.00 N ATOM 31 CA ILE A 18 3.379 12.528 -0.153 1.00 10.00 C ATOM 32 C ILE A 18 2.313 11.648 0.500 1.00 10.00 C ATOM 33 O ILE A 18 2.419 10.420 0.493 1.00 10.00 O ATOM 34 CB ILE A 18 3.242 12.511 -1.699 1.00 10.00 C ATOM 35 CG1 ILE A 18 1.828 12.906 -2.131 1.00 10.00 C ATOM 36 CG2 ILE A 18 3.613 11.147 -2.267 1.00 10.00 C ATOM 37 CD1 ILE A 18 1.653 12.964 -3.634 1.00 10.00 C ATOM 0 H ILE A 18 4.974 11.181 -0.153 1.00 10.00 H new ATOM 0 HA ILE A 18 3.241 13.559 0.174 1.00 10.00 H new ATOM 0 HB ILE A 18 3.938 13.248 -2.100 1.00 10.00 H new ATOM 0 HG12 ILE A 18 1.117 12.191 -1.717 1.00 10.00 H new ATOM 0 HG13 ILE A 18 1.585 13.880 -1.706 1.00 10.00 H new ATOM 0 HG21 ILE A 18 3.508 11.164 -3.352 1.00 10.00 H new ATOM 0 HG22 ILE A 18 4.645 10.913 -2.006 1.00 10.00 H new ATOM 0 HG23 ILE A 18 2.952 10.387 -1.850 1.00 10.00 H new ATOM 0 HD11 ILE A 18 0.628 13.250 -3.870 1.00 10.00 H new ATOM 0 HD12 ILE A 18 2.340 13.699 -4.052 1.00 10.00 H new ATOM 0 HD13 ILE A 18 1.865 11.985 -4.063 1.00 10.00 H new ATOM 49 N ASN A 19 1.305 12.275 1.090 1.00 10.00 N ATOM 50 CA ASN A 19 0.247 11.532 1.762 1.00 10.00 C ATOM 51 C ASN A 19 -0.977 11.392 0.871 1.00 10.00 C ATOM 52 O ASN A 19 -1.522 12.383 0.377 1.00 10.00 O ATOM 53 CB ASN A 19 -0.140 12.200 3.083 1.00 10.00 C ATOM 54 CG ASN A 19 0.860 11.919 4.187 1.00 10.00 C ATOM 55 OD1 ASN A 19 0.859 10.843 4.787 1.00 10.00 O ATOM 56 ND2 ASN A 19 1.716 12.883 4.472 1.00 10.00 N ATOM 0 H ASN A 19 1.197 13.289 1.118 1.00 10.00 H new ATOM 0 HA ASN A 19 0.634 10.536 1.976 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -0.219 13.277 2.933 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -1.125 11.848 3.390 1.00 10.00 H new ATOM 0 HD21 ASN A 19 2.407 12.750 5.211 1.00 10.00 H new ATOM 0 HD22 ASN A 19 1.687 13.761 3.953 1.00 10.00 H new ATOM 63 N LEU A 20 -1.394 10.155 0.665 1.00 10.00 N ATOM 64 CA LEU A 20 -2.552 9.858 -0.160 1.00 10.00 C ATOM 65 C LEU A 20 -3.658 9.236 0.689 1.00 10.00 C ATOM 66 O LEU A 20 -3.379 8.533 1.660 1.00 10.00 O ATOM 67 CB LEU A 20 -2.154 8.912 -1.295 1.00 10.00 C ATOM 68 CG LEU A 20 -0.975 9.389 -2.147 1.00 10.00 C ATOM 69 CD1 LEU A 20 -0.551 8.311 -3.131 1.00 10.00 C ATOM 70 CD2 LEU A 20 -1.335 10.671 -2.884 1.00 10.00 C ATOM 0 H LEU A 20 -0.942 9.332 1.063 1.00 10.00 H new ATOM 0 HA LEU A 20 -2.928 10.785 -0.592 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -1.906 7.940 -0.868 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -3.017 8.764 -1.945 1.00 10.00 H new ATOM 0 HG LEU A 20 -0.135 9.595 -1.483 1.00 10.00 H new ATOM 0 HD11 LEU A 20 0.288 8.671 -3.726 1.00 10.00 H new ATOM 0 HD12 LEU A 20 -0.251 7.417 -2.584 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -1.386 8.070 -3.789 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -0.486 10.996 -3.485 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -2.191 10.489 -3.534 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -1.587 11.447 -2.162 1.00 10.00 H new ATOM 82 N LYS A 21 -4.905 9.497 0.321 1.00 10.00 N ATOM 83 CA LYS A 21 -6.048 8.973 1.058 1.00 10.00 C ATOM 84 C LYS A 21 -6.734 7.855 0.281 1.00 10.00 C ATOM 85 O LYS A 21 -7.158 8.050 -0.859 1.00 10.00 O ATOM 86 CB LYS A 21 -7.066 10.087 1.332 1.00 10.00 C ATOM 87 CG LYS A 21 -6.471 11.346 1.948 1.00 10.00 C ATOM 88 CD LYS A 21 -7.520 12.439 2.078 1.00 10.00 C ATOM 89 CE LYS A 21 -6.930 13.721 2.639 1.00 10.00 C ATOM 90 NZ LYS A 21 -7.969 14.768 2.845 1.00 10.00 N ATOM 0 H LYS A 21 -5.152 10.070 -0.486 1.00 10.00 H new ATOM 0 HA LYS A 21 -5.676 8.575 2.002 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -7.557 10.352 0.396 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -7.838 9.701 1.998 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -6.059 11.114 2.930 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -5.645 11.701 1.331 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -7.961 12.638 1.101 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -8.325 12.095 2.727 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -6.436 13.509 3.587 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -6.166 14.097 1.959 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -7.554 15.707 2.678 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -8.754 14.614 2.180 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -8.326 14.716 3.820 1.00 10.00 H new ATOM 104 N VAL A 22 -6.830 6.684 0.889 1.00 10.00 N ATOM 105 CA VAL A 22 -7.490 5.550 0.255 1.00 10.00 C ATOM 106 C VAL A 22 -8.979 5.572 0.583 1.00 10.00 C ATOM 107 O VAL A 22 -9.362 5.708 1.748 1.00 10.00 O ATOM 108 CB VAL A 22 -6.879 4.209 0.708 1.00 10.00 C ATOM 109 CG1 VAL A 22 -7.565 3.035 0.020 1.00 10.00 C ATOM 110 CG2 VAL A 22 -5.383 4.189 0.439 1.00 10.00 C ATOM 0 H VAL A 22 -6.460 6.492 1.820 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.345 5.638 -0.822 1.00 10.00 H new ATOM 0 HB VAL A 22 -7.039 4.109 1.781 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -7.115 2.102 0.358 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -8.626 3.037 0.269 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -7.446 3.126 -1.060 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -4.967 3.235 0.765 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.204 4.317 -0.628 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -4.904 5.000 0.988 1.00 10.00 H new ATOM 120 N ALA A 23 -9.815 5.455 -0.441 1.00 10.00 N ATOM 121 CA ALA A 23 -11.258 5.476 -0.255 1.00 10.00 C ATOM 122 C ALA A 23 -11.845 4.070 -0.297 1.00 10.00 C ATOM 123 O ALA A 23 -11.911 3.444 -1.358 1.00 10.00 O ATOM 124 CB ALA A 23 -11.915 6.355 -1.308 1.00 10.00 C ATOM 0 H ALA A 23 -9.517 5.344 -1.410 1.00 10.00 H new ATOM 0 HA ALA A 23 -11.461 5.894 0.731 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -12.994 6.360 -1.156 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -11.531 7.372 -1.224 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -11.691 5.963 -2.300 1.00 10.00 H new ATOM 130 N GLY A 24 -12.269 3.580 0.863 1.00 10.00 N ATOM 131 CA GLY A 24 -12.855 2.257 0.948 1.00 10.00 C ATOM 132 C GLY A 24 -14.360 2.300 0.790 1.00 10.00 C ATOM 133 O GLY A 24 -14.996 3.289 1.163 1.00 10.00 O ATOM 0 H GLY A 24 -12.216 4.080 1.751 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -12.426 1.619 0.176 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -12.603 1.808 1.909 1.00 10.00 H new ATOM 137 N GLN A 25 -14.934 1.227 0.267 1.00 10.00 N ATOM 138 CA GLN A 25 -16.376 1.152 0.041 1.00 10.00 C ATOM 139 C GLN A 25 -17.143 0.957 1.349 1.00 10.00 C ATOM 140 O GLN A 25 -18.372 0.979 1.367 1.00 10.00 O ATOM 141 CB GLN A 25 -16.699 0.016 -0.932 1.00 10.00 C ATOM 142 CG GLN A 25 -16.000 0.149 -2.275 1.00 10.00 C ATOM 143 CD GLN A 25 -16.343 1.443 -2.985 1.00 10.00 C ATOM 144 OE1 GLN A 25 -17.449 1.965 -2.851 1.00 10.00 O ATOM 145 NE2 GLN A 25 -15.402 1.964 -3.750 1.00 10.00 N ATOM 0 H GLN A 25 -14.423 0.390 -0.012 1.00 10.00 H new ATOM 0 HA GLN A 25 -16.693 2.100 -0.393 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -16.416 -0.933 -0.477 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -17.776 -0.017 -1.094 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -14.922 0.096 -2.126 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -16.276 -0.693 -2.909 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -14.498 1.499 -3.834 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -15.579 2.831 -4.257 1.00 10.00 H new ATOM 154 N ASP A 26 -16.416 0.763 2.438 1.00 10.00 N ATOM 155 CA ASP A 26 -17.034 0.575 3.745 1.00 10.00 C ATOM 156 C ASP A 26 -16.944 1.856 4.569 1.00 10.00 C ATOM 157 O ASP A 26 -17.677 2.040 5.539 1.00 10.00 O ATOM 158 CB ASP A 26 -16.354 -0.570 4.495 1.00 10.00 C ATOM 159 CG ASP A 26 -15.007 -0.168 5.055 1.00 10.00 C ATOM 160 OD1 ASP A 26 -14.215 0.443 4.308 1.00 10.00 O ATOM 161 OD2 ASP A 26 -14.735 -0.452 6.240 1.00 10.00 O ATOM 0 H ASP A 26 -15.397 0.731 2.445 1.00 10.00 H new ATOM 0 HA ASP A 26 -18.084 0.327 3.593 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -16.999 -0.903 5.308 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -16.227 -1.418 3.822 1.00 10.00 H new ATOM 166 N GLY A 27 -16.036 2.737 4.180 1.00 10.00 N ATOM 167 CA GLY A 27 -15.871 3.986 4.891 1.00 10.00 C ATOM 168 C GLY A 27 -14.533 4.092 5.598 1.00 10.00 C ATOM 169 O GLY A 27 -14.209 5.141 6.160 1.00 10.00 O ATOM 0 H GLY A 27 -15.410 2.609 3.385 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -15.972 4.814 4.189 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -16.672 4.090 5.623 1.00 10.00 H new ATOM 173 N SER A 28 -13.753 3.016 5.588 1.00 10.00 N ATOM 174 CA SER A 28 -12.446 3.033 6.232 1.00 10.00 C ATOM 175 C SER A 28 -11.473 3.860 5.395 1.00 10.00 C ATOM 176 O SER A 28 -11.395 3.698 4.173 1.00 10.00 O ATOM 177 CB SER A 28 -11.914 1.609 6.437 1.00 10.00 C ATOM 178 OG SER A 28 -11.882 0.882 5.220 1.00 10.00 O ATOM 0 H SER A 28 -14.000 2.131 5.146 1.00 10.00 H new ATOM 0 HA SER A 28 -12.546 3.491 7.216 1.00 10.00 H new ATOM 0 HB2 SER A 28 -10.911 1.653 6.862 1.00 10.00 H new ATOM 0 HB3 SER A 28 -12.543 1.086 7.157 1.00 10.00 H new ATOM 0 HG SER A 28 -12.794 0.775 4.879 1.00 10.00 H new ATOM 184 N VAL A 29 -10.765 4.768 6.047 1.00 10.00 N ATOM 185 CA VAL A 29 -9.815 5.627 5.361 1.00 10.00 C ATOM 186 C VAL A 29 -8.384 5.263 5.739 1.00 10.00 C ATOM 187 O VAL A 29 -8.050 5.124 6.919 1.00 10.00 O ATOM 188 CB VAL A 29 -10.078 7.121 5.668 1.00 10.00 C ATOM 189 CG1 VAL A 29 -10.075 7.382 7.166 1.00 10.00 C ATOM 190 CG2 VAL A 29 -9.056 8.007 4.964 1.00 10.00 C ATOM 0 H VAL A 29 -10.831 4.929 7.052 1.00 10.00 H new ATOM 0 HA VAL A 29 -9.949 5.469 4.291 1.00 10.00 H new ATOM 0 HB VAL A 29 -11.068 7.371 5.286 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -10.262 8.440 7.351 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -10.855 6.787 7.641 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -9.105 7.107 7.581 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -9.261 9.052 5.194 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -8.054 7.749 5.307 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -9.122 7.853 3.887 1.00 10.00 H new ATOM 200 N VAL A 30 -7.551 5.081 4.731 1.00 10.00 N ATOM 201 CA VAL A 30 -6.161 4.737 4.952 1.00 10.00 C ATOM 202 C VAL A 30 -5.246 5.815 4.379 1.00 10.00 C ATOM 203 O VAL A 30 -5.369 6.196 3.216 1.00 10.00 O ATOM 204 CB VAL A 30 -5.814 3.360 4.341 1.00 10.00 C ATOM 205 CG1 VAL A 30 -4.328 3.055 4.486 1.00 10.00 C ATOM 206 CG2 VAL A 30 -6.648 2.267 4.996 1.00 10.00 C ATOM 0 H VAL A 30 -7.815 5.166 3.749 1.00 10.00 H new ATOM 0 HA VAL A 30 -6.003 4.675 6.029 1.00 10.00 H new ATOM 0 HB VAL A 30 -6.049 3.391 3.277 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -4.112 2.081 4.048 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -3.747 3.821 3.972 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -4.060 3.045 5.542 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -6.394 1.303 4.556 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -6.442 2.244 6.066 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -7.707 2.471 4.835 1.00 10.00 H new ATOM 216 N GLN A 31 -4.357 6.317 5.220 1.00 10.00 N ATOM 217 CA GLN A 31 -3.406 7.344 4.832 1.00 10.00 C ATOM 218 C GLN A 31 -2.108 6.686 4.377 1.00 10.00 C ATOM 219 O GLN A 31 -1.430 6.013 5.158 1.00 10.00 O ATOM 220 CB GLN A 31 -3.155 8.292 6.011 1.00 10.00 C ATOM 221 CG GLN A 31 -2.241 9.462 5.688 1.00 10.00 C ATOM 222 CD GLN A 31 -2.043 10.386 6.874 1.00 10.00 C ATOM 223 OE1 GLN A 31 -2.934 10.549 7.712 1.00 10.00 O ATOM 224 NE2 GLN A 31 -0.876 11.001 6.953 1.00 10.00 N ATOM 0 H GLN A 31 -4.275 6.023 6.193 1.00 10.00 H new ATOM 0 HA GLN A 31 -3.810 7.928 4.005 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -4.112 8.679 6.361 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -2.721 7.723 6.834 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -1.273 9.083 5.360 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -2.660 10.028 4.856 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -0.165 10.839 6.240 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -0.686 11.637 7.727 1.00 10.00 H new ATOM 233 N PHE A 32 -1.784 6.860 3.109 1.00 10.00 N ATOM 234 CA PHE A 32 -0.585 6.272 2.540 1.00 10.00 C ATOM 235 C PHE A 32 0.555 7.278 2.496 1.00 10.00 C ATOM 236 O PHE A 32 0.472 8.296 1.811 1.00 10.00 O ATOM 237 CB PHE A 32 -0.867 5.755 1.129 1.00 10.00 C ATOM 238 CG PHE A 32 -0.910 4.256 1.031 1.00 10.00 C ATOM 239 CD1 PHE A 32 -2.083 3.569 1.283 1.00 10.00 C ATOM 240 CD2 PHE A 32 0.222 3.537 0.682 1.00 10.00 C ATOM 241 CE1 PHE A 32 -2.128 2.191 1.187 1.00 10.00 C ATOM 242 CE2 PHE A 32 0.183 2.161 0.585 1.00 10.00 C ATOM 243 CZ PHE A 32 -0.993 1.487 0.837 1.00 10.00 C ATOM 0 H PHE A 32 -2.338 7.407 2.450 1.00 10.00 H new ATOM 0 HA PHE A 32 -0.287 5.441 3.179 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -1.820 6.160 0.787 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -0.099 6.132 0.453 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -2.973 4.115 1.558 1.00 10.00 H new ATOM 0 HD2 PHE A 32 1.146 4.060 0.484 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -3.050 1.665 1.386 1.00 10.00 H new ATOM 0 HE2 PHE A 32 1.073 1.613 0.312 1.00 10.00 H new ATOM 0 HZ PHE A 32 -1.026 0.410 0.761 1.00 10.00 H new ATOM 253 N LYS A 33 1.610 6.983 3.235 1.00 10.00 N ATOM 254 CA LYS A 33 2.787 7.831 3.273 1.00 10.00 C ATOM 255 C LYS A 33 3.858 7.221 2.381 1.00 10.00 C ATOM 256 O LYS A 33 4.577 6.308 2.785 1.00 10.00 O ATOM 257 CB LYS A 33 3.298 7.980 4.710 1.00 10.00 C ATOM 258 CG LYS A 33 4.623 8.717 4.822 1.00 10.00 C ATOM 259 CD LYS A 33 5.110 8.772 6.263 1.00 10.00 C ATOM 260 CE LYS A 33 6.552 9.250 6.344 1.00 10.00 C ATOM 261 NZ LYS A 33 7.190 8.881 7.635 1.00 10.00 N ATOM 0 H LYS A 33 1.674 6.152 3.823 1.00 10.00 H new ATOM 0 HA LYS A 33 2.533 8.826 2.908 1.00 10.00 H new ATOM 0 HB2 LYS A 33 2.549 8.510 5.298 1.00 10.00 H new ATOM 0 HB3 LYS A 33 3.407 6.989 5.151 1.00 10.00 H new ATOM 0 HG2 LYS A 33 5.370 8.221 4.203 1.00 10.00 H new ATOM 0 HG3 LYS A 33 4.511 9.730 4.436 1.00 10.00 H new ATOM 0 HD2 LYS A 33 4.471 9.441 6.839 1.00 10.00 H new ATOM 0 HD3 LYS A 33 5.027 7.783 6.715 1.00 10.00 H new ATOM 0 HE2 LYS A 33 7.123 8.820 5.521 1.00 10.00 H new ATOM 0 HE3 LYS A 33 6.582 10.333 6.221 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 8.171 9.226 7.648 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 6.661 9.312 8.420 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 7.185 7.846 7.742 1.00 10.00 H new ATOM 275 N ILE A 34 3.930 7.698 1.151 1.00 10.00 N ATOM 276 CA ILE A 34 4.893 7.178 0.191 1.00 10.00 C ATOM 277 C ILE A 34 5.711 8.317 -0.413 1.00 10.00 C ATOM 278 O ILE A 34 5.393 9.487 -0.212 1.00 10.00 O ATOM 279 CB ILE A 34 4.186 6.359 -0.931 1.00 10.00 C ATOM 280 CG1 ILE A 34 3.973 7.198 -2.193 1.00 10.00 C ATOM 281 CG2 ILE A 34 2.855 5.807 -0.435 1.00 10.00 C ATOM 282 CD1 ILE A 34 3.153 6.508 -3.264 1.00 10.00 C ATOM 0 H ILE A 34 3.334 8.444 0.792 1.00 10.00 H new ATOM 0 HA ILE A 34 5.567 6.506 0.722 1.00 10.00 H new ATOM 0 HB ILE A 34 4.840 5.526 -1.189 1.00 10.00 H new ATOM 0 HG12 ILE A 34 3.480 8.130 -1.917 1.00 10.00 H new ATOM 0 HG13 ILE A 34 4.945 7.462 -2.609 1.00 10.00 H new ATOM 0 HG21 ILE A 34 2.377 5.238 -1.233 1.00 10.00 H new ATOM 0 HG22 ILE A 34 3.028 5.156 0.422 1.00 10.00 H new ATOM 0 HG23 ILE A 34 2.207 6.632 -0.139 1.00 10.00 H new ATOM 0 HD11 ILE A 34 3.048 7.169 -4.124 1.00 10.00 H new ATOM 0 HD12 ILE A 34 3.654 5.590 -3.571 1.00 10.00 H new ATOM 0 HD13 ILE A 34 2.166 6.268 -2.869 1.00 10.00 H new ATOM 294 N LYS A 35 6.773 7.983 -1.133 1.00 10.00 N ATOM 295 CA LYS A 35 7.605 8.997 -1.762 1.00 10.00 C ATOM 296 C LYS A 35 7.169 9.213 -3.208 1.00 10.00 C ATOM 297 O LYS A 35 6.606 8.317 -3.835 1.00 10.00 O ATOM 298 CB LYS A 35 9.078 8.601 -1.686 1.00 10.00 C ATOM 299 CG LYS A 35 9.777 9.117 -0.439 1.00 10.00 C ATOM 300 CD LYS A 35 10.897 8.192 0.002 1.00 10.00 C ATOM 301 CE LYS A 35 10.367 7.055 0.855 1.00 10.00 C ATOM 302 NZ LYS A 35 11.452 6.139 1.292 1.00 10.00 N ATOM 0 H LYS A 35 7.077 7.023 -1.295 1.00 10.00 H new ATOM 0 HA LYS A 35 7.482 9.937 -1.225 1.00 10.00 H new ATOM 0 HB2 LYS A 35 9.157 7.514 -1.714 1.00 10.00 H new ATOM 0 HB3 LYS A 35 9.595 8.981 -2.567 1.00 10.00 H new ATOM 0 HG2 LYS A 35 10.181 10.110 -0.633 1.00 10.00 H new ATOM 0 HG3 LYS A 35 9.052 9.220 0.368 1.00 10.00 H new ATOM 0 HD2 LYS A 35 11.404 7.787 -0.874 1.00 10.00 H new ATOM 0 HD3 LYS A 35 11.639 8.758 0.566 1.00 10.00 H new ATOM 0 HE2 LYS A 35 9.861 7.463 1.730 1.00 10.00 H new ATOM 0 HE3 LYS A 35 9.623 6.493 0.290 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 11.049 5.376 1.872 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 11.918 5.730 0.457 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 12.149 6.669 1.853 1.00 10.00 H new ATOM 316 N ARG A 36 7.448 10.398 -3.732 1.00 10.00 N ATOM 317 CA ARG A 36 7.056 10.755 -5.093 1.00 10.00 C ATOM 318 C ARG A 36 7.777 9.905 -6.137 1.00 10.00 C ATOM 319 O ARG A 36 7.247 9.664 -7.222 1.00 10.00 O ATOM 320 CB ARG A 36 7.317 12.244 -5.345 1.00 10.00 C ATOM 321 CG ARG A 36 6.505 13.160 -4.440 1.00 10.00 C ATOM 322 CD ARG A 36 6.827 14.629 -4.678 1.00 10.00 C ATOM 323 NE ARG A 36 6.459 15.065 -6.028 1.00 10.00 N ATOM 324 CZ ARG A 36 5.402 15.834 -6.309 1.00 10.00 C ATOM 325 NH1 ARG A 36 4.594 16.255 -5.337 1.00 10.00 N ATOM 326 NH2 ARG A 36 5.155 16.185 -7.565 1.00 10.00 N ATOM 0 H ARG A 36 7.947 11.135 -3.234 1.00 10.00 H new ATOM 0 HA ARG A 36 5.989 10.555 -5.191 1.00 10.00 H new ATOM 0 HB2 ARG A 36 8.378 12.449 -5.200 1.00 10.00 H new ATOM 0 HB3 ARG A 36 7.087 12.475 -6.385 1.00 10.00 H new ATOM 0 HG2 ARG A 36 5.442 12.990 -4.611 1.00 10.00 H new ATOM 0 HG3 ARG A 36 6.704 12.909 -3.398 1.00 10.00 H new ATOM 0 HD2 ARG A 36 6.299 15.238 -3.945 1.00 10.00 H new ATOM 0 HD3 ARG A 36 7.893 14.795 -4.522 1.00 10.00 H new ATOM 0 HE ARG A 36 7.048 14.762 -6.804 1.00 10.00 H new ATOM 0 HH11 ARG A 36 4.780 15.991 -4.369 1.00 10.00 H new ATOM 0 HH12 ARG A 36 3.790 16.841 -5.560 1.00 10.00 H new ATOM 0 HH21 ARG A 36 5.771 15.868 -8.314 1.00 10.00 H new ATOM 0 HH22 ARG A 36 4.349 16.772 -7.782 1.00 10.00 H new ATOM 340 N HIS A 37 8.979 9.444 -5.805 1.00 10.00 N ATOM 341 CA HIS A 37 9.763 8.621 -6.727 1.00 10.00 C ATOM 342 C HIS A 37 9.498 7.131 -6.517 1.00 10.00 C ATOM 343 O HIS A 37 10.183 6.280 -7.086 1.00 10.00 O ATOM 344 CB HIS A 37 11.266 8.913 -6.579 1.00 10.00 C ATOM 345 CG HIS A 37 11.852 8.594 -5.229 1.00 10.00 C ATOM 346 ND1 HIS A 37 11.948 7.299 -4.766 1.00 10.00 N ATOM 347 CD2 HIS A 37 12.377 9.431 -4.301 1.00 10.00 C ATOM 348 CE1 HIS A 37 12.527 7.379 -3.580 1.00 10.00 C ATOM 349 NE2 HIS A 37 12.803 8.649 -3.260 1.00 10.00 N ATOM 0 H HIS A 37 9.432 9.624 -4.909 1.00 10.00 H new ATOM 0 HA HIS A 37 9.449 8.882 -7.738 1.00 10.00 H new ATOM 0 HB2 HIS A 37 11.806 8.344 -7.335 1.00 10.00 H new ATOM 0 HB3 HIS A 37 11.437 9.968 -6.791 1.00 10.00 H new ATOM 0 HD2 HIS A 37 12.446 10.507 -4.369 1.00 10.00 H new ATOM 0 HE1 HIS A 37 12.749 6.530 -2.951 1.00 10.00 H new ATOM 0 HE2 HIS A 37 13.248 8.974 -2.401 1.00 10.00 H new ATOM 357 N THR A 38 8.495 6.819 -5.714 1.00 10.00 N ATOM 358 CA THR A 38 8.165 5.437 -5.420 1.00 10.00 C ATOM 359 C THR A 38 6.951 4.963 -6.218 1.00 10.00 C ATOM 360 O THR A 38 5.883 5.573 -6.162 1.00 10.00 O ATOM 361 CB THR A 38 7.909 5.271 -3.916 1.00 10.00 C ATOM 362 OG1 THR A 38 8.969 5.905 -3.194 1.00 10.00 O ATOM 363 CG2 THR A 38 7.837 3.805 -3.526 1.00 10.00 C ATOM 0 H THR A 38 7.896 7.505 -5.255 1.00 10.00 H new ATOM 0 HA THR A 38 9.013 4.819 -5.715 1.00 10.00 H new ATOM 0 HB THR A 38 6.952 5.732 -3.673 1.00 10.00 H new ATOM 0 HG1 THR A 38 9.105 5.443 -2.341 1.00 10.00 H new ATOM 0 HG21 THR A 38 7.655 3.722 -2.455 1.00 10.00 H new ATOM 0 HG22 THR A 38 7.025 3.323 -4.071 1.00 10.00 H new ATOM 0 HG23 THR A 38 8.780 3.316 -3.773 1.00 10.00 H new ATOM 371 N PRO A 39 7.120 3.872 -6.992 1.00 10.00 N ATOM 372 CA PRO A 39 6.048 3.292 -7.811 1.00 10.00 C ATOM 373 C PRO A 39 4.796 2.964 -7.002 1.00 10.00 C ATOM 374 O PRO A 39 4.876 2.555 -5.839 1.00 10.00 O ATOM 375 CB PRO A 39 6.674 2.008 -8.362 1.00 10.00 C ATOM 376 CG PRO A 39 8.137 2.261 -8.342 1.00 10.00 C ATOM 377 CD PRO A 39 8.387 3.131 -7.146 1.00 10.00 C ATOM 0 HA PRO A 39 5.711 3.988 -8.580 1.00 10.00 H new ATOM 0 HB2 PRO A 39 6.413 1.146 -7.748 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.322 1.798 -9.372 1.00 10.00 H new ATOM 0 HG2 PRO A 39 8.694 1.327 -8.269 1.00 10.00 H new ATOM 0 HG3 PRO A 39 8.461 2.754 -9.258 1.00 10.00 H new ATOM 0 HD2 PRO A 39 8.617 2.540 -6.260 1.00 10.00 H new ATOM 0 HD3 PRO A 39 9.229 3.804 -7.307 1.00 10.00 H new ATOM 385 N LEU A 40 3.641 3.123 -7.635 1.00 10.00 N ATOM 386 CA LEU A 40 2.363 2.860 -6.985 1.00 10.00 C ATOM 387 C LEU A 40 2.095 1.363 -6.886 1.00 10.00 C ATOM 388 O LEU A 40 1.079 0.937 -6.335 1.00 10.00 O ATOM 389 CB LEU A 40 1.230 3.539 -7.755 1.00 10.00 C ATOM 390 CG LEU A 40 1.288 5.068 -7.785 1.00 10.00 C ATOM 391 CD1 LEU A 40 0.267 5.620 -8.769 1.00 10.00 C ATOM 392 CD2 LEU A 40 1.046 5.639 -6.395 1.00 10.00 C ATOM 0 H LEU A 40 3.563 3.435 -8.603 1.00 10.00 H new ATOM 0 HA LEU A 40 2.409 3.268 -5.975 1.00 10.00 H new ATOM 0 HB2 LEU A 40 1.238 3.171 -8.781 1.00 10.00 H new ATOM 0 HB3 LEU A 40 0.280 3.236 -7.315 1.00 10.00 H new ATOM 0 HG LEU A 40 2.283 5.368 -8.113 1.00 10.00 H new ATOM 0 HD11 LEU A 40 0.322 6.709 -8.778 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.480 5.238 -9.767 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.733 5.309 -8.468 1.00 10.00 H new ATOM 0 HD21 LEU A 40 1.091 6.727 -6.436 1.00 10.00 H new ATOM 0 HD22 LEU A 40 0.063 5.329 -6.041 1.00 10.00 H new ATOM 0 HD23 LEU A 40 1.811 5.270 -5.712 1.00 10.00 H new ATOM 404 N SER A 41 3.018 0.571 -7.418 1.00 10.00 N ATOM 405 CA SER A 41 2.901 -0.876 -7.392 1.00 10.00 C ATOM 406 C SER A 41 2.809 -1.384 -5.954 1.00 10.00 C ATOM 407 O SER A 41 1.967 -2.223 -5.638 1.00 10.00 O ATOM 408 CB SER A 41 4.102 -1.493 -8.104 1.00 10.00 C ATOM 409 OG SER A 41 4.749 -0.526 -8.916 1.00 10.00 O ATOM 0 H SER A 41 3.862 0.914 -7.876 1.00 10.00 H new ATOM 0 HA SER A 41 1.988 -1.170 -7.909 1.00 10.00 H new ATOM 0 HB2 SER A 41 4.804 -1.888 -7.370 1.00 10.00 H new ATOM 0 HB3 SER A 41 3.776 -2.333 -8.718 1.00 10.00 H new ATOM 0 HG SER A 41 4.366 -0.547 -9.818 1.00 10.00 H new ATOM 415 N LYS A 42 3.656 -0.851 -5.075 1.00 10.00 N ATOM 416 CA LYS A 42 3.644 -1.266 -3.675 1.00 10.00 C ATOM 417 C LYS A 42 2.422 -0.702 -2.968 1.00 10.00 C ATOM 418 O LYS A 42 1.910 -1.305 -2.037 1.00 10.00 O ATOM 419 CB LYS A 42 4.908 -0.826 -2.920 1.00 10.00 C ATOM 420 CG LYS A 42 5.987 -0.189 -3.783 1.00 10.00 C ATOM 421 CD LYS A 42 7.084 0.432 -2.926 1.00 10.00 C ATOM 422 CE LYS A 42 7.716 -0.587 -1.983 1.00 10.00 C ATOM 423 NZ LYS A 42 8.445 -1.657 -2.717 1.00 10.00 N ATOM 0 H LYS A 42 4.351 -0.140 -5.304 1.00 10.00 H new ATOM 0 HA LYS A 42 3.613 -2.356 -3.672 1.00 10.00 H new ATOM 0 HB2 LYS A 42 4.620 -0.117 -2.144 1.00 10.00 H new ATOM 0 HB3 LYS A 42 5.333 -1.695 -2.417 1.00 10.00 H new ATOM 0 HG2 LYS A 42 6.419 -0.941 -4.443 1.00 10.00 H new ATOM 0 HG3 LYS A 42 5.543 0.576 -4.420 1.00 10.00 H new ATOM 0 HD2 LYS A 42 7.854 0.855 -3.572 1.00 10.00 H new ATOM 0 HD3 LYS A 42 6.668 1.255 -2.345 1.00 10.00 H new ATOM 0 HE2 LYS A 42 8.405 -0.077 -1.309 1.00 10.00 H new ATOM 0 HE3 LYS A 42 6.940 -1.037 -1.365 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 8.900 -2.297 -2.035 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 7.775 -2.195 -3.303 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 9.170 -1.228 -3.326 1.00 10.00 H new ATOM 437 N LEU A 43 1.953 0.449 -3.428 1.00 10.00 N ATOM 438 CA LEU A 43 0.787 1.090 -2.834 1.00 10.00 C ATOM 439 C LEU A 43 -0.447 0.210 -2.996 1.00 10.00 C ATOM 440 O LEU A 43 -1.266 0.089 -2.083 1.00 10.00 O ATOM 441 CB LEU A 43 0.564 2.463 -3.476 1.00 10.00 C ATOM 442 CG LEU A 43 -0.737 3.172 -3.088 1.00 10.00 C ATOM 443 CD1 LEU A 43 -0.462 4.615 -2.689 1.00 10.00 C ATOM 444 CD2 LEU A 43 -1.733 3.117 -4.239 1.00 10.00 C ATOM 0 H LEU A 43 2.362 0.959 -4.211 1.00 10.00 H new ATOM 0 HA LEU A 43 0.964 1.228 -1.767 1.00 10.00 H new ATOM 0 HB2 LEU A 43 1.401 3.108 -3.211 1.00 10.00 H new ATOM 0 HB3 LEU A 43 0.583 2.345 -4.559 1.00 10.00 H new ATOM 0 HG LEU A 43 -1.169 2.656 -2.230 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -1.398 5.102 -2.417 1.00 10.00 H new ATOM 0 HD12 LEU A 43 0.218 4.634 -1.837 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -0.008 5.144 -3.527 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -2.653 3.625 -3.949 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -1.307 3.610 -5.113 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -1.953 2.077 -4.480 1.00 10.00 H new ATOM 456 N MET A 44 -0.568 -0.410 -4.157 1.00 10.00 N ATOM 457 CA MET A 44 -1.692 -1.284 -4.435 1.00 10.00 C ATOM 458 C MET A 44 -1.517 -2.621 -3.719 1.00 10.00 C ATOM 459 O MET A 44 -2.473 -3.184 -3.179 1.00 10.00 O ATOM 460 CB MET A 44 -1.829 -1.505 -5.943 1.00 10.00 C ATOM 461 CG MET A 44 -2.067 -0.225 -6.726 1.00 10.00 C ATOM 462 SD MET A 44 -2.438 -0.527 -8.467 1.00 10.00 S ATOM 463 CE MET A 44 -0.926 -1.321 -9.009 1.00 10.00 C ATOM 0 H MET A 44 0.100 -0.323 -4.923 1.00 10.00 H new ATOM 0 HA MET A 44 -2.601 -0.809 -4.066 1.00 10.00 H new ATOM 0 HB2 MET A 44 -0.924 -1.986 -6.315 1.00 10.00 H new ATOM 0 HB3 MET A 44 -2.654 -2.193 -6.128 1.00 10.00 H new ATOM 0 HG2 MET A 44 -2.893 0.324 -6.273 1.00 10.00 H new ATOM 0 HG3 MET A 44 -1.184 0.410 -6.652 1.00 10.00 H new ATOM 0 HE1 MET A 44 -0.938 -1.423 -10.094 1.00 10.00 H new ATOM 0 HE2 MET A 44 -0.070 -0.716 -8.711 1.00 10.00 H new ATOM 0 HE3 MET A 44 -0.849 -2.308 -8.552 1.00 10.00 H new ATOM 473 N LYS A 45 -0.280 -3.110 -3.694 1.00 10.00 N ATOM 474 CA LYS A 45 0.034 -4.386 -3.059 1.00 10.00 C ATOM 475 C LYS A 45 -0.082 -4.315 -1.535 1.00 10.00 C ATOM 476 O LYS A 45 -0.761 -5.143 -0.931 1.00 10.00 O ATOM 477 CB LYS A 45 1.441 -4.848 -3.446 1.00 10.00 C ATOM 478 CG LYS A 45 1.554 -5.321 -4.889 1.00 10.00 C ATOM 479 CD LYS A 45 2.860 -6.063 -5.141 1.00 10.00 C ATOM 480 CE LYS A 45 4.061 -5.137 -5.050 1.00 10.00 C ATOM 481 NZ LYS A 45 5.338 -5.881 -5.197 1.00 10.00 N ATOM 0 H LYS A 45 0.524 -2.639 -4.108 1.00 10.00 H new ATOM 0 HA LYS A 45 -0.699 -5.108 -3.419 1.00 10.00 H new ATOM 0 HB2 LYS A 45 2.140 -4.027 -3.286 1.00 10.00 H new ATOM 0 HB3 LYS A 45 1.743 -5.658 -2.782 1.00 10.00 H new ATOM 0 HG2 LYS A 45 0.714 -5.974 -5.124 1.00 10.00 H new ATOM 0 HG3 LYS A 45 1.488 -4.464 -5.559 1.00 10.00 H new ATOM 0 HD2 LYS A 45 2.966 -6.869 -4.415 1.00 10.00 H new ATOM 0 HD3 LYS A 45 2.831 -6.525 -6.128 1.00 10.00 H new ATOM 0 HE2 LYS A 45 3.992 -4.374 -5.826 1.00 10.00 H new ATOM 0 HE3 LYS A 45 4.050 -4.619 -4.091 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 6.136 -5.218 -5.130 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 5.414 -6.592 -4.442 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 5.359 -6.355 -6.122 1.00 10.00 H new ATOM 495 N ALA A 46 0.569 -3.326 -0.926 1.00 10.00 N ATOM 496 CA ALA A 46 0.565 -3.161 0.530 1.00 10.00 C ATOM 497 C ALA A 46 -0.849 -3.052 1.089 1.00 10.00 C ATOM 498 O ALA A 46 -1.188 -3.711 2.074 1.00 10.00 O ATOM 499 CB ALA A 46 1.374 -1.937 0.929 1.00 10.00 C ATOM 0 H ALA A 46 1.112 -2.619 -1.422 1.00 10.00 H new ATOM 0 HA ALA A 46 1.024 -4.053 0.956 1.00 10.00 H new ATOM 0 HB1 ALA A 46 1.360 -1.830 2.014 1.00 10.00 H new ATOM 0 HB2 ALA A 46 2.403 -2.054 0.589 1.00 10.00 H new ATOM 0 HB3 ALA A 46 0.939 -1.048 0.471 1.00 10.00 H new ATOM 505 N TYR A 47 -1.672 -2.223 0.460 1.00 10.00 N ATOM 506 CA TYR A 47 -3.044 -2.038 0.908 1.00 10.00 C ATOM 507 C TYR A 47 -3.815 -3.350 0.822 1.00 10.00 C ATOM 508 O TYR A 47 -4.573 -3.703 1.728 1.00 10.00 O ATOM 509 CB TYR A 47 -3.740 -0.964 0.073 1.00 10.00 C ATOM 510 CG TYR A 47 -5.208 -0.795 0.392 1.00 10.00 C ATOM 511 CD1 TYR A 47 -6.180 -1.242 -0.491 1.00 10.00 C ATOM 512 CD2 TYR A 47 -5.620 -0.194 1.574 1.00 10.00 C ATOM 513 CE1 TYR A 47 -7.523 -1.092 -0.210 1.00 10.00 C ATOM 514 CE2 TYR A 47 -6.962 -0.041 1.863 1.00 10.00 C ATOM 515 CZ TYR A 47 -7.909 -0.492 0.968 1.00 10.00 C ATOM 516 OH TYR A 47 -9.248 -0.339 1.250 1.00 10.00 O ATOM 0 H TYR A 47 -1.414 -1.671 -0.358 1.00 10.00 H new ATOM 0 HA TYR A 47 -3.023 -1.712 1.948 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -3.233 -0.012 0.228 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -3.634 -1.213 -0.983 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -5.881 -1.716 -1.414 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -4.880 0.159 2.278 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -8.267 -1.443 -0.910 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -7.268 0.430 2.786 1.00 10.00 H new ATOM 0 HH TYR A 47 -9.351 0.101 2.119 1.00 10.00 H new ATOM 526 N CYS A 48 -3.597 -4.080 -0.259 1.00 10.00 N ATOM 527 CA CYS A 48 -4.270 -5.348 -0.466 1.00 10.00 C ATOM 528 C CYS A 48 -3.732 -6.415 0.484 1.00 10.00 C ATOM 529 O CYS A 48 -4.456 -7.337 0.868 1.00 10.00 O ATOM 530 CB CYS A 48 -4.114 -5.801 -1.912 1.00 10.00 C ATOM 531 SG CYS A 48 -5.309 -7.058 -2.405 1.00 10.00 S ATOM 0 H CYS A 48 -2.957 -3.814 -1.008 1.00 10.00 H new ATOM 0 HA CYS A 48 -5.330 -5.207 -0.254 1.00 10.00 H new ATOM 0 HB2 CYS A 48 -4.216 -4.937 -2.568 1.00 10.00 H new ATOM 0 HB3 CYS A 48 -3.107 -6.193 -2.055 1.00 10.00 H new ATOM 0 HG CYS A 48 -4.988 -8.197 -1.866 1.00 10.00 H new ATOM 537 N GLU A 49 -2.465 -6.284 0.865 1.00 10.00 N ATOM 538 CA GLU A 49 -1.840 -7.231 1.780 1.00 10.00 C ATOM 539 C GLU A 49 -2.526 -7.191 3.136 1.00 10.00 C ATOM 540 O GLU A 49 -2.768 -8.230 3.750 1.00 10.00 O ATOM 541 CB GLU A 49 -0.351 -6.924 1.945 1.00 10.00 C ATOM 542 CG GLU A 49 0.513 -7.509 0.845 1.00 10.00 C ATOM 543 CD GLU A 49 0.240 -8.980 0.620 1.00 10.00 C ATOM 544 OE1 GLU A 49 0.366 -9.764 1.582 1.00 10.00 O ATOM 545 OE2 GLU A 49 -0.101 -9.358 -0.522 1.00 10.00 O ATOM 0 H GLU A 49 -1.852 -5.531 0.554 1.00 10.00 H new ATOM 0 HA GLU A 49 -1.947 -8.230 1.356 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -0.212 -5.843 1.970 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -0.013 -7.311 2.906 1.00 10.00 H new ATOM 0 HG2 GLU A 49 0.336 -6.963 -0.082 1.00 10.00 H new ATOM 0 HG3 GLU A 49 1.564 -7.372 1.100 1.00 10.00 H new ATOM 552 N ARG A 50 -2.855 -5.987 3.585 1.00 10.00 N ATOM 553 CA ARG A 50 -3.525 -5.807 4.867 1.00 10.00 C ATOM 554 C ARG A 50 -4.993 -6.203 4.761 1.00 10.00 C ATOM 555 O ARG A 50 -5.677 -6.364 5.768 1.00 10.00 O ATOM 556 CB ARG A 50 -3.378 -4.365 5.354 1.00 10.00 C ATOM 557 CG ARG A 50 -1.928 -3.961 5.569 1.00 10.00 C ATOM 558 CD ARG A 50 -1.801 -2.734 6.456 1.00 10.00 C ATOM 559 NE ARG A 50 -0.403 -2.345 6.634 1.00 10.00 N ATOM 560 CZ ARG A 50 0.009 -1.331 7.392 1.00 10.00 C ATOM 561 NH1 ARG A 50 -0.868 -0.586 8.052 1.00 10.00 N ATOM 562 NH2 ARG A 50 1.303 -1.051 7.478 1.00 10.00 N ATOM 0 H ARG A 50 -2.669 -5.120 3.081 1.00 10.00 H new ATOM 0 HA ARG A 50 -3.051 -6.459 5.601 1.00 10.00 H new ATOM 0 HB2 ARG A 50 -3.834 -3.693 4.627 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -3.927 -4.244 6.288 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -1.384 -4.791 6.020 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -1.461 -3.760 4.605 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -2.357 -1.906 6.016 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -2.250 -2.938 7.428 1.00 10.00 H new ATOM 0 HE ARG A 50 0.307 -2.889 6.143 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -1.865 -0.788 7.981 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -0.545 0.189 8.631 1.00 10.00 H new ATOM 0 HH21 ARG A 50 1.982 -1.612 6.964 1.00 10.00 H new ATOM 0 HH22 ARG A 50 1.619 -0.274 8.059 1.00 10.00 H new ATOM 576 N GLN A 51 -5.473 -6.354 3.532 1.00 10.00 N ATOM 577 CA GLN A 51 -6.848 -6.773 3.296 1.00 10.00 C ATOM 578 C GLN A 51 -6.941 -8.285 3.453 1.00 10.00 C ATOM 579 O GLN A 51 -7.970 -8.820 3.866 1.00 10.00 O ATOM 580 CB GLN A 51 -7.317 -6.372 1.890 1.00 10.00 C ATOM 581 CG GLN A 51 -7.594 -4.886 1.729 1.00 10.00 C ATOM 582 CD GLN A 51 -8.770 -4.416 2.562 1.00 10.00 C ATOM 583 OE1 GLN A 51 -8.612 -4.031 3.719 1.00 10.00 O ATOM 584 NE2 GLN A 51 -9.956 -4.440 1.976 1.00 10.00 N ATOM 0 H GLN A 51 -4.930 -6.192 2.684 1.00 10.00 H new ATOM 0 HA GLN A 51 -7.492 -6.277 4.022 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -6.558 -6.670 1.167 1.00 10.00 H new ATOM 0 HB3 GLN A 51 -8.223 -6.928 1.648 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -6.705 -4.322 2.012 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -7.788 -4.669 0.679 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -10.043 -4.767 1.014 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -10.783 -4.131 2.486 1.00 10.00 H new ATOM 593 N GLY A 52 -5.844 -8.959 3.123 1.00 10.00 N ATOM 594 CA GLY A 52 -5.795 -10.403 3.218 1.00 10.00 C ATOM 595 C GLY A 52 -6.373 -11.067 1.987 1.00 10.00 C ATOM 596 O GLY A 52 -6.875 -12.190 2.053 1.00 10.00 O ATOM 0 H GLY A 52 -4.983 -8.525 2.789 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -4.762 -10.724 3.353 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -6.347 -10.728 4.100 1.00 10.00 H new ATOM 600 N LEU A 53 -6.297 -10.372 0.859 1.00 10.00 N ATOM 601 CA LEU A 53 -6.825 -10.885 -0.396 1.00 10.00 C ATOM 602 C LEU A 53 -5.861 -10.612 -1.542 1.00 10.00 C ATOM 603 O LEU A 53 -4.876 -9.885 -1.378 1.00 10.00 O ATOM 604 CB LEU A 53 -8.181 -10.239 -0.695 1.00 10.00 C ATOM 605 CG LEU A 53 -9.314 -10.616 0.259 1.00 10.00 C ATOM 606 CD1 LEU A 53 -10.344 -9.502 0.326 1.00 10.00 C ATOM 607 CD2 LEU A 53 -9.964 -11.919 -0.180 1.00 10.00 C ATOM 0 H LEU A 53 -5.872 -9.447 0.789 1.00 10.00 H new ATOM 0 HA LEU A 53 -6.950 -11.963 -0.299 1.00 10.00 H new ATOM 0 HB2 LEU A 53 -8.060 -9.156 -0.677 1.00 10.00 H new ATOM 0 HB3 LEU A 53 -8.477 -10.510 -1.708 1.00 10.00 H new ATOM 0 HG LEU A 53 -8.896 -10.758 1.256 1.00 10.00 H new ATOM 0 HD11 LEU A 53 -11.144 -9.787 1.010 1.00 10.00 H new ATOM 0 HD12 LEU A 53 -9.869 -8.588 0.684 1.00 10.00 H new ATOM 0 HD13 LEU A 53 -10.759 -9.330 -0.667 1.00 10.00 H new ATOM 0 HD21 LEU A 53 -10.769 -12.174 0.509 1.00 10.00 H new ATOM 0 HD22 LEU A 53 -10.370 -11.803 -1.185 1.00 10.00 H new ATOM 0 HD23 LEU A 53 -9.220 -12.715 -0.179 1.00 10.00 H new ATOM 619 N SER A 54 -6.152 -11.202 -2.693 1.00 10.00 N ATOM 620 CA SER A 54 -5.334 -11.031 -3.882 1.00 10.00 C ATOM 621 C SER A 54 -5.577 -9.657 -4.500 1.00 10.00 C ATOM 622 O SER A 54 -6.719 -9.196 -4.578 1.00 10.00 O ATOM 623 CB SER A 54 -5.651 -12.138 -4.898 1.00 10.00 C ATOM 624 OG SER A 54 -4.971 -11.927 -6.125 1.00 10.00 O ATOM 0 H SER A 54 -6.960 -11.811 -2.827 1.00 10.00 H new ATOM 0 HA SER A 54 -4.283 -11.101 -3.601 1.00 10.00 H new ATOM 0 HB2 SER A 54 -5.366 -13.105 -4.484 1.00 10.00 H new ATOM 0 HB3 SER A 54 -6.726 -12.172 -5.077 1.00 10.00 H new ATOM 0 HG SER A 54 -5.192 -12.649 -6.750 1.00 10.00 H new ATOM 630 N MET A 55 -4.504 -9.010 -4.945 1.00 10.00 N ATOM 631 CA MET A 55 -4.595 -7.684 -5.550 1.00 10.00 C ATOM 632 C MET A 55 -5.370 -7.739 -6.860 1.00 10.00 C ATOM 633 O MET A 55 -5.902 -6.732 -7.326 1.00 10.00 O ATOM 634 CB MET A 55 -3.194 -7.112 -5.792 1.00 10.00 C ATOM 635 CG MET A 55 -3.188 -5.616 -6.065 1.00 10.00 C ATOM 636 SD MET A 55 -1.578 -5.012 -6.607 1.00 10.00 S ATOM 637 CE MET A 55 -1.547 -5.598 -8.299 1.00 10.00 C ATOM 0 H MET A 55 -3.556 -9.384 -4.898 1.00 10.00 H new ATOM 0 HA MET A 55 -5.130 -7.031 -4.860 1.00 10.00 H new ATOM 0 HB2 MET A 55 -2.571 -7.317 -4.921 1.00 10.00 H new ATOM 0 HB3 MET A 55 -2.740 -7.629 -6.637 1.00 10.00 H new ATOM 0 HG2 MET A 55 -3.932 -5.387 -6.828 1.00 10.00 H new ATOM 0 HG3 MET A 55 -3.485 -5.085 -5.161 1.00 10.00 H new ATOM 0 HE1 MET A 55 -0.642 -6.183 -8.465 1.00 10.00 H new ATOM 0 HE2 MET A 55 -2.421 -6.222 -8.484 1.00 10.00 H new ATOM 0 HE3 MET A 55 -1.559 -4.746 -8.979 1.00 10.00 H new ATOM 647 N ARG A 56 -5.445 -8.930 -7.436 1.00 10.00 N ATOM 648 CA ARG A 56 -6.151 -9.134 -8.692 1.00 10.00 C ATOM 649 C ARG A 56 -7.664 -9.177 -8.469 1.00 10.00 C ATOM 650 O ARG A 56 -8.447 -9.100 -9.417 1.00 10.00 O ATOM 651 CB ARG A 56 -5.671 -10.428 -9.349 1.00 10.00 C ATOM 652 CG ARG A 56 -6.201 -10.642 -10.756 1.00 10.00 C ATOM 653 CD ARG A 56 -5.507 -11.804 -11.438 1.00 10.00 C ATOM 654 NE ARG A 56 -6.055 -12.065 -12.768 1.00 10.00 N ATOM 655 CZ ARG A 56 -5.333 -12.511 -13.796 1.00 10.00 C ATOM 656 NH1 ARG A 56 -4.034 -12.752 -13.651 1.00 10.00 N ATOM 657 NH2 ARG A 56 -5.916 -12.720 -14.968 1.00 10.00 N ATOM 0 H ARG A 56 -5.023 -9.775 -7.050 1.00 10.00 H new ATOM 0 HA ARG A 56 -5.934 -8.295 -9.353 1.00 10.00 H new ATOM 0 HB2 ARG A 56 -4.581 -10.425 -9.379 1.00 10.00 H new ATOM 0 HB3 ARG A 56 -5.971 -11.272 -8.727 1.00 10.00 H new ATOM 0 HG2 ARG A 56 -7.274 -10.829 -10.718 1.00 10.00 H new ATOM 0 HG3 ARG A 56 -6.056 -9.735 -11.343 1.00 10.00 H new ATOM 0 HD2 ARG A 56 -4.441 -11.592 -11.520 1.00 10.00 H new ATOM 0 HD3 ARG A 56 -5.607 -12.698 -10.823 1.00 10.00 H new ATOM 0 HE ARG A 56 -7.050 -11.896 -12.918 1.00 10.00 H new ATOM 0 HH11 ARG A 56 -3.584 -12.596 -12.749 1.00 10.00 H new ATOM 0 HH12 ARG A 56 -3.487 -13.093 -14.442 1.00 10.00 H new ATOM 0 HH21 ARG A 56 -6.914 -12.540 -15.081 1.00 10.00 H new ATOM 0 HH22 ARG A 56 -5.367 -13.061 -15.757 1.00 10.00 H new ATOM 671 N GLN A 57 -8.072 -9.286 -7.211 1.00 10.00 N ATOM 672 CA GLN A 57 -9.489 -9.341 -6.873 1.00 10.00 C ATOM 673 C GLN A 57 -10.107 -7.942 -6.870 1.00 10.00 C ATOM 674 O GLN A 57 -11.294 -7.773 -7.163 1.00 10.00 O ATOM 675 CB GLN A 57 -9.685 -10.011 -5.508 1.00 10.00 C ATOM 676 CG GLN A 57 -11.144 -10.188 -5.116 1.00 10.00 C ATOM 677 CD GLN A 57 -11.320 -11.032 -3.869 1.00 10.00 C ATOM 678 OE1 GLN A 57 -10.532 -11.938 -3.600 1.00 10.00 O ATOM 679 NE2 GLN A 57 -12.357 -10.739 -3.096 1.00 10.00 N ATOM 0 H GLN A 57 -7.444 -9.338 -6.409 1.00 10.00 H new ATOM 0 HA GLN A 57 -9.996 -9.935 -7.634 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -9.200 -10.987 -5.520 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -9.183 -9.415 -4.746 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -11.593 -9.208 -4.952 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -11.684 -10.652 -5.942 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -12.987 -9.980 -3.354 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -12.524 -11.273 -2.243 1.00 10.00 H new ATOM 688 N ILE A 58 -9.295 -6.938 -6.563 1.00 10.00 N ATOM 689 CA ILE A 58 -9.774 -5.565 -6.516 1.00 10.00 C ATOM 690 C ILE A 58 -9.152 -4.719 -7.621 1.00 10.00 C ATOM 691 O ILE A 58 -8.245 -5.165 -8.323 1.00 10.00 O ATOM 692 CB ILE A 58 -9.493 -4.909 -5.148 1.00 10.00 C ATOM 693 CG1 ILE A 58 -8.014 -5.048 -4.772 1.00 10.00 C ATOM 694 CG2 ILE A 58 -10.382 -5.526 -4.078 1.00 10.00 C ATOM 695 CD1 ILE A 58 -7.665 -4.424 -3.435 1.00 10.00 C ATOM 0 H ILE A 58 -8.305 -7.049 -6.344 1.00 10.00 H new ATOM 0 HA ILE A 58 -10.853 -5.608 -6.668 1.00 10.00 H new ATOM 0 HB ILE A 58 -9.723 -3.846 -5.219 1.00 10.00 H new ATOM 0 HG12 ILE A 58 -7.752 -6.106 -4.749 1.00 10.00 H new ATOM 0 HG13 ILE A 58 -7.405 -4.585 -5.549 1.00 10.00 H new ATOM 0 HG21 ILE A 58 -10.175 -5.055 -3.117 1.00 10.00 H new ATOM 0 HG22 ILE A 58 -11.428 -5.370 -4.340 1.00 10.00 H new ATOM 0 HG23 ILE A 58 -10.180 -6.595 -4.009 1.00 10.00 H new ATOM 0 HD11 ILE A 58 -6.602 -4.561 -3.236 1.00 10.00 H new ATOM 0 HD12 ILE A 58 -7.895 -3.359 -3.459 1.00 10.00 H new ATOM 0 HD13 ILE A 58 -8.247 -4.903 -2.647 1.00 10.00 H new ATOM 707 N ARG A 59 -9.656 -3.504 -7.778 1.00 10.00 N ATOM 708 CA ARG A 59 -9.164 -2.585 -8.793 1.00 10.00 C ATOM 709 C ARG A 59 -8.888 -1.223 -8.174 1.00 10.00 C ATOM 710 O ARG A 59 -9.580 -0.806 -7.246 1.00 10.00 O ATOM 711 CB ARG A 59 -10.180 -2.438 -9.930 1.00 10.00 C ATOM 712 CG ARG A 59 -10.357 -3.692 -10.773 1.00 10.00 C ATOM 713 CD ARG A 59 -9.074 -4.067 -11.501 1.00 10.00 C ATOM 714 NE ARG A 59 -9.237 -5.282 -12.295 1.00 10.00 N ATOM 715 CZ ARG A 59 -9.064 -6.513 -11.815 1.00 10.00 C ATOM 716 NH1 ARG A 59 -8.728 -6.699 -10.546 1.00 10.00 N ATOM 717 NH2 ARG A 59 -9.217 -7.562 -12.608 1.00 10.00 N ATOM 0 H ARG A 59 -10.414 -3.129 -7.208 1.00 10.00 H new ATOM 0 HA ARG A 59 -8.239 -2.991 -9.202 1.00 10.00 H new ATOM 0 HB2 ARG A 59 -11.145 -2.159 -9.506 1.00 10.00 H new ATOM 0 HB3 ARG A 59 -9.868 -1.619 -10.578 1.00 10.00 H new ATOM 0 HG2 ARG A 59 -10.668 -4.519 -10.134 1.00 10.00 H new ATOM 0 HG3 ARG A 59 -11.154 -3.533 -11.499 1.00 10.00 H new ATOM 0 HD2 ARG A 59 -8.771 -3.246 -12.151 1.00 10.00 H new ATOM 0 HD3 ARG A 59 -8.273 -4.211 -10.776 1.00 10.00 H new ATOM 0 HE ARG A 59 -9.499 -5.182 -13.276 1.00 10.00 H new ATOM 0 HH11 ARG A 59 -8.600 -5.897 -9.929 1.00 10.00 H new ATOM 0 HH12 ARG A 59 -8.597 -7.645 -10.186 1.00 10.00 H new ATOM 0 HH21 ARG A 59 -9.468 -7.428 -13.588 1.00 10.00 H new ATOM 0 HH22 ARG A 59 -9.084 -8.504 -12.239 1.00 10.00 H new ATOM 731 N PHE A 60 -7.883 -0.537 -8.689 1.00 10.00 N ATOM 732 CA PHE A 60 -7.515 0.776 -8.181 1.00 10.00 C ATOM 733 C PHE A 60 -7.680 1.830 -9.270 1.00 10.00 C ATOM 734 O PHE A 60 -7.222 1.644 -10.399 1.00 10.00 O ATOM 735 CB PHE A 60 -6.071 0.764 -7.673 1.00 10.00 C ATOM 736 CG PHE A 60 -5.811 -0.248 -6.590 1.00 10.00 C ATOM 737 CD1 PHE A 60 -5.545 -1.569 -6.909 1.00 10.00 C ATOM 738 CD2 PHE A 60 -5.831 0.126 -5.257 1.00 10.00 C ATOM 739 CE1 PHE A 60 -5.305 -2.500 -5.917 1.00 10.00 C ATOM 740 CE2 PHE A 60 -5.592 -0.801 -4.261 1.00 10.00 C ATOM 741 CZ PHE A 60 -5.331 -2.115 -4.592 1.00 10.00 C ATOM 0 H PHE A 60 -7.304 -0.867 -9.461 1.00 10.00 H new ATOM 0 HA PHE A 60 -8.176 1.024 -7.351 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -5.404 0.563 -8.511 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -5.821 1.756 -7.297 1.00 10.00 H new ATOM 0 HD1 PHE A 60 -5.525 -1.875 -7.945 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -6.036 1.153 -4.993 1.00 10.00 H new ATOM 0 HE1 PHE A 60 -5.097 -3.527 -6.178 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -5.609 -0.498 -3.225 1.00 10.00 H new ATOM 0 HZ PHE A 60 -5.147 -2.842 -3.815 1.00 10.00 H new ATOM 751 N ARG A 61 -8.339 2.928 -8.936 1.00 10.00 N ATOM 752 CA ARG A 61 -8.563 3.998 -9.895 1.00 10.00 C ATOM 753 C ARG A 61 -8.088 5.340 -9.356 1.00 10.00 C ATOM 754 O ARG A 61 -8.076 5.575 -8.145 1.00 10.00 O ATOM 755 CB ARG A 61 -10.046 4.098 -10.260 1.00 10.00 C ATOM 756 CG ARG A 61 -10.537 2.984 -11.169 1.00 10.00 C ATOM 757 CD ARG A 61 -11.892 3.322 -11.764 1.00 10.00 C ATOM 758 NE ARG A 61 -12.488 2.192 -12.472 1.00 10.00 N ATOM 759 CZ ARG A 61 -13.702 2.213 -13.016 1.00 10.00 C ATOM 760 NH1 ARG A 61 -14.447 3.307 -12.943 1.00 10.00 N ATOM 761 NH2 ARG A 61 -14.166 1.138 -13.639 1.00 10.00 N ATOM 0 H ARG A 61 -8.728 3.102 -8.009 1.00 10.00 H new ATOM 0 HA ARG A 61 -7.985 3.755 -10.786 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -10.636 4.091 -9.344 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -10.225 5.056 -10.748 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -9.816 2.819 -11.969 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -10.606 2.054 -10.605 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -12.564 3.644 -10.969 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -11.785 4.162 -12.451 1.00 10.00 H new ATOM 0 HE ARG A 61 -11.941 1.335 -12.554 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -14.090 4.136 -12.469 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -15.377 3.319 -13.361 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -13.592 0.297 -13.701 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -15.096 1.152 -14.057 1.00 10.00 H new ATOM 775 N PHE A 62 -7.696 6.205 -10.274 1.00 10.00 N ATOM 776 CA PHE A 62 -7.234 7.543 -9.949 1.00 10.00 C ATOM 777 C PHE A 62 -7.594 8.486 -11.087 1.00 10.00 C ATOM 778 O PHE A 62 -7.255 8.217 -12.243 1.00 10.00 O ATOM 779 CB PHE A 62 -5.722 7.558 -9.716 1.00 10.00 C ATOM 780 CG PHE A 62 -5.155 8.943 -9.593 1.00 10.00 C ATOM 781 CD1 PHE A 62 -5.354 9.686 -8.442 1.00 10.00 C ATOM 782 CD2 PHE A 62 -4.428 9.503 -10.634 1.00 10.00 C ATOM 783 CE1 PHE A 62 -4.843 10.962 -8.332 1.00 10.00 C ATOM 784 CE2 PHE A 62 -3.913 10.779 -10.526 1.00 10.00 C ATOM 785 CZ PHE A 62 -4.119 11.507 -9.373 1.00 10.00 C ATOM 0 H PHE A 62 -7.689 5.998 -11.273 1.00 10.00 H new ATOM 0 HA PHE A 62 -7.720 7.870 -9.030 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -5.495 6.998 -8.809 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -5.229 7.043 -10.540 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -5.915 9.262 -7.622 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -4.264 8.935 -11.538 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -5.009 11.535 -7.432 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -3.350 11.206 -11.343 1.00 10.00 H new ATOM 0 HZ PHE A 62 -3.714 12.504 -9.285 1.00 10.00 H new ATOM 795 N ASP A 63 -8.306 9.564 -10.759 1.00 10.00 N ATOM 796 CA ASP A 63 -8.726 10.555 -11.753 1.00 10.00 C ATOM 797 C ASP A 63 -9.702 9.915 -12.743 1.00 10.00 C ATOM 798 O ASP A 63 -9.884 10.388 -13.864 1.00 10.00 O ATOM 799 CB ASP A 63 -7.501 11.146 -12.479 1.00 10.00 C ATOM 800 CG ASP A 63 -7.806 12.434 -13.221 1.00 10.00 C ATOM 801 OD1 ASP A 63 -8.586 13.260 -12.704 1.00 10.00 O ATOM 802 OD2 ASP A 63 -7.249 12.638 -14.321 1.00 10.00 O ATOM 0 H ASP A 63 -8.606 9.775 -9.807 1.00 10.00 H new ATOM 0 HA ASP A 63 -9.237 11.374 -11.247 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -6.711 11.333 -11.751 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -7.116 10.410 -13.185 1.00 10.00 H new ATOM 807 N GLY A 64 -10.328 8.824 -12.307 1.00 10.00 N ATOM 808 CA GLY A 64 -11.277 8.119 -13.141 1.00 10.00 C ATOM 809 C GLY A 64 -10.624 7.059 -14.009 1.00 10.00 C ATOM 810 O GLY A 64 -11.311 6.269 -14.660 1.00 10.00 O ATOM 0 H GLY A 64 -10.190 8.416 -11.382 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -12.031 7.650 -12.509 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -11.796 8.835 -13.778 1.00 10.00 H new ATOM 814 N GLN A 65 -9.300 7.027 -14.016 1.00 10.00 N ATOM 815 CA GLN A 65 -8.569 6.064 -14.826 1.00 10.00 C ATOM 816 C GLN A 65 -7.971 4.965 -13.956 1.00 10.00 C ATOM 817 O GLN A 65 -7.608 5.211 -12.806 1.00 10.00 O ATOM 818 CB GLN A 65 -7.468 6.774 -15.617 1.00 10.00 C ATOM 819 CG GLN A 65 -7.946 8.030 -16.331 1.00 10.00 C ATOM 820 CD GLN A 65 -9.113 7.773 -17.269 1.00 10.00 C ATOM 821 OE1 GLN A 65 -9.220 6.704 -17.872 1.00 10.00 O ATOM 822 NE2 GLN A 65 -9.991 8.752 -17.400 1.00 10.00 N ATOM 0 H GLN A 65 -8.710 7.656 -13.471 1.00 10.00 H new ATOM 0 HA GLN A 65 -9.266 5.601 -15.524 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -6.657 7.038 -14.938 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -7.056 6.082 -16.352 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -8.240 8.773 -15.590 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -7.118 8.456 -16.898 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -9.866 9.622 -16.883 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -10.794 8.638 -18.019 1.00 10.00 H new ATOM 831 N PRO A 66 -7.874 3.732 -14.483 1.00 10.00 N ATOM 832 CA PRO A 66 -7.314 2.597 -13.746 1.00 10.00 C ATOM 833 C PRO A 66 -5.800 2.697 -13.584 1.00 10.00 C ATOM 834 O PRO A 66 -5.073 2.933 -14.552 1.00 10.00 O ATOM 835 CB PRO A 66 -7.679 1.377 -14.613 1.00 10.00 C ATOM 836 CG PRO A 66 -8.606 1.880 -15.666 1.00 10.00 C ATOM 837 CD PRO A 66 -8.303 3.338 -15.833 1.00 10.00 C ATOM 0 HA PRO A 66 -7.708 2.546 -12.731 1.00 10.00 H new ATOM 0 HB2 PRO A 66 -6.788 0.934 -15.058 1.00 10.00 H new ATOM 0 HB3 PRO A 66 -8.155 0.601 -14.013 1.00 10.00 H new ATOM 0 HG2 PRO A 66 -8.458 1.343 -16.603 1.00 10.00 H new ATOM 0 HG3 PRO A 66 -9.645 1.730 -15.373 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -7.521 3.507 -16.573 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -9.178 3.899 -16.160 1.00 10.00 H new ATOM 845 N ILE A 67 -5.331 2.511 -12.357 1.00 10.00 N ATOM 846 CA ILE A 67 -3.907 2.578 -12.060 1.00 10.00 C ATOM 847 C ILE A 67 -3.215 1.291 -12.494 1.00 10.00 C ATOM 848 O ILE A 67 -3.748 0.196 -12.297 1.00 10.00 O ATOM 849 CB ILE A 67 -3.660 2.808 -10.553 1.00 10.00 C ATOM 850 CG1 ILE A 67 -4.465 4.010 -10.056 1.00 10.00 C ATOM 851 CG2 ILE A 67 -2.176 3.014 -10.277 1.00 10.00 C ATOM 852 CD1 ILE A 67 -4.427 4.186 -8.553 1.00 10.00 C ATOM 0 H ILE A 67 -5.920 2.312 -11.548 1.00 10.00 H new ATOM 0 HA ILE A 67 -3.493 3.421 -12.614 1.00 10.00 H new ATOM 0 HB ILE A 67 -3.991 1.921 -10.013 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -4.081 4.914 -10.529 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -5.502 3.899 -10.374 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -2.023 3.174 -9.210 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -1.621 2.131 -10.594 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -1.821 3.884 -10.829 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -5.019 5.057 -8.274 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -4.838 3.298 -8.072 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -3.396 4.329 -8.229 1.00 10.00 H new ATOM 864 N ASN A 68 -2.046 1.427 -13.101 1.00 10.00 N ATOM 865 CA ASN A 68 -1.279 0.277 -13.561 1.00 10.00 C ATOM 866 C ASN A 68 -0.095 0.035 -12.630 1.00 10.00 C ATOM 867 O ASN A 68 0.263 0.905 -11.834 1.00 10.00 O ATOM 868 CB ASN A 68 -0.799 0.499 -14.999 1.00 10.00 C ATOM 869 CG ASN A 68 -0.706 -0.794 -15.782 1.00 10.00 C ATOM 870 OD1 ASN A 68 0.350 -1.419 -15.852 1.00 10.00 O ATOM 871 ND2 ASN A 68 -1.813 -1.205 -16.377 1.00 10.00 N ATOM 0 H ASN A 68 -1.605 2.327 -13.288 1.00 10.00 H new ATOM 0 HA ASN A 68 -1.919 -0.605 -13.547 1.00 10.00 H new ATOM 0 HB2 ASN A 68 -1.483 1.180 -15.506 1.00 10.00 H new ATOM 0 HB3 ASN A 68 0.178 0.982 -14.983 1.00 10.00 H new ATOM 0 HD21 ASN A 68 -1.810 -2.070 -16.918 1.00 10.00 H new ATOM 0 HD22 ASN A 68 -2.670 -0.657 -16.295 1.00 10.00 H new ATOM 878 N GLU A 69 0.518 -1.140 -12.733 1.00 10.00 N ATOM 879 CA GLU A 69 1.653 -1.492 -11.883 1.00 10.00 C ATOM 880 C GLU A 69 2.903 -0.687 -12.240 1.00 10.00 C ATOM 881 O GLU A 69 3.878 -0.686 -11.490 1.00 10.00 O ATOM 882 CB GLU A 69 1.949 -2.989 -11.980 1.00 10.00 C ATOM 883 CG GLU A 69 1.045 -3.848 -11.105 1.00 10.00 C ATOM 884 CD GLU A 69 1.484 -5.298 -11.050 1.00 10.00 C ATOM 885 OE1 GLU A 69 2.705 -5.551 -10.986 1.00 10.00 O ATOM 886 OE2 GLU A 69 0.609 -6.195 -11.067 1.00 10.00 O ATOM 0 H GLU A 69 0.248 -1.866 -13.397 1.00 10.00 H new ATOM 0 HA GLU A 69 1.380 -1.245 -10.857 1.00 10.00 H new ATOM 0 HB2 GLU A 69 1.843 -3.305 -13.018 1.00 10.00 H new ATOM 0 HB3 GLU A 69 2.987 -3.165 -11.698 1.00 10.00 H new ATOM 0 HG2 GLU A 69 1.030 -3.439 -10.095 1.00 10.00 H new ATOM 0 HG3 GLU A 69 0.024 -3.796 -11.485 1.00 10.00 H new ATOM 893 N THR A 70 2.875 -0.006 -13.373 1.00 10.00 N ATOM 894 CA THR A 70 4.011 0.795 -13.808 1.00 10.00 C ATOM 895 C THR A 70 3.732 2.289 -13.651 1.00 10.00 C ATOM 896 O THR A 70 4.387 3.124 -14.280 1.00 10.00 O ATOM 897 CB THR A 70 4.355 0.496 -15.276 1.00 10.00 C ATOM 898 OG1 THR A 70 3.222 -0.096 -15.926 1.00 10.00 O ATOM 899 CG2 THR A 70 5.547 -0.437 -15.377 1.00 10.00 C ATOM 0 H THR A 70 2.078 0.009 -14.010 1.00 10.00 H new ATOM 0 HA THR A 70 4.857 0.528 -13.174 1.00 10.00 H new ATOM 0 HB THR A 70 4.612 1.435 -15.766 1.00 10.00 H new ATOM 0 HG1 THR A 70 3.443 -0.284 -16.862 1.00 10.00 H new ATOM 0 HG21 THR A 70 5.769 -0.632 -16.426 1.00 10.00 H new ATOM 0 HG22 THR A 70 6.413 0.026 -14.903 1.00 10.00 H new ATOM 0 HG23 THR A 70 5.317 -1.376 -14.874 1.00 10.00 H new ATOM 907 N ASP A 71 2.763 2.623 -12.807 1.00 10.00 N ATOM 908 CA ASP A 71 2.397 4.018 -12.582 1.00 10.00 C ATOM 909 C ASP A 71 3.082 4.578 -11.341 1.00 10.00 C ATOM 910 O ASP A 71 3.307 3.865 -10.360 1.00 10.00 O ATOM 911 CB ASP A 71 0.879 4.159 -12.433 1.00 10.00 C ATOM 912 CG ASP A 71 0.142 4.114 -13.759 1.00 10.00 C ATOM 913 OD1 ASP A 71 0.792 4.245 -14.817 1.00 10.00 O ATOM 914 OD2 ASP A 71 -1.098 3.944 -13.748 1.00 10.00 O ATOM 0 H ASP A 71 2.218 1.950 -12.268 1.00 10.00 H new ATOM 0 HA ASP A 71 2.730 4.587 -13.450 1.00 10.00 H new ATOM 0 HB2 ASP A 71 0.508 3.360 -11.791 1.00 10.00 H new ATOM 0 HB3 ASP A 71 0.655 5.101 -11.932 1.00 10.00 H new ATOM 919 N THR A 72 3.417 5.857 -11.395 1.00 10.00 N ATOM 920 CA THR A 72 4.059 6.540 -10.282 1.00 10.00 C ATOM 921 C THR A 72 3.306 7.832 -9.960 1.00 10.00 C ATOM 922 O THR A 72 2.598 8.366 -10.819 1.00 10.00 O ATOM 923 CB THR A 72 5.529 6.882 -10.606 1.00 10.00 C ATOM 924 OG1 THR A 72 5.686 7.092 -12.013 1.00 10.00 O ATOM 925 CG2 THR A 72 6.469 5.781 -10.144 1.00 10.00 C ATOM 0 H THR A 72 3.253 6.450 -12.209 1.00 10.00 H new ATOM 0 HA THR A 72 4.038 5.869 -9.423 1.00 10.00 H new ATOM 0 HB THR A 72 5.785 7.796 -10.070 1.00 10.00 H new ATOM 0 HG1 THR A 72 6.621 7.310 -12.209 1.00 10.00 H new ATOM 0 HG21 THR A 72 7.496 6.053 -10.387 1.00 10.00 H new ATOM 0 HG22 THR A 72 6.374 5.650 -9.066 1.00 10.00 H new ATOM 0 HG23 THR A 72 6.212 4.849 -10.647 1.00 10.00 H new ATOM 933 N PRO A 73 3.437 8.353 -8.727 1.00 10.00 N ATOM 934 CA PRO A 73 2.767 9.595 -8.325 1.00 10.00 C ATOM 935 C PRO A 73 3.135 10.761 -9.241 1.00 10.00 C ATOM 936 O PRO A 73 2.277 11.543 -9.647 1.00 10.00 O ATOM 937 CB PRO A 73 3.289 9.847 -6.907 1.00 10.00 C ATOM 938 CG PRO A 73 3.734 8.514 -6.419 1.00 10.00 C ATOM 939 CD PRO A 73 4.229 7.774 -7.628 1.00 10.00 C ATOM 0 HA PRO A 73 1.682 9.510 -8.379 1.00 10.00 H new ATOM 0 HB2 PRO A 73 4.112 10.561 -6.910 1.00 10.00 H new ATOM 0 HB3 PRO A 73 2.510 10.262 -6.267 1.00 10.00 H new ATOM 0 HG2 PRO A 73 4.523 8.615 -5.673 1.00 10.00 H new ATOM 0 HG3 PRO A 73 2.912 7.979 -5.943 1.00 10.00 H new ATOM 0 HD2 PRO A 73 5.298 7.922 -7.781 1.00 10.00 H new ATOM 0 HD3 PRO A 73 4.066 6.700 -7.537 1.00 10.00 H new ATOM 947 N ALA A 74 4.415 10.844 -9.590 1.00 10.00 N ATOM 948 CA ALA A 74 4.912 11.905 -10.457 1.00 10.00 C ATOM 949 C ALA A 74 4.460 11.711 -11.903 1.00 10.00 C ATOM 950 O ALA A 74 4.413 12.659 -12.682 1.00 10.00 O ATOM 951 CB ALA A 74 6.429 11.963 -10.386 1.00 10.00 C ATOM 0 H ALA A 74 5.130 10.185 -9.283 1.00 10.00 H new ATOM 0 HA ALA A 74 4.495 12.848 -10.105 1.00 10.00 H new ATOM 0 HB1 ALA A 74 6.794 12.758 -11.036 1.00 10.00 H new ATOM 0 HB2 ALA A 74 6.738 12.163 -9.360 1.00 10.00 H new ATOM 0 HB3 ALA A 74 6.845 11.009 -10.711 1.00 10.00 H new ATOM 957 N GLN A 75 4.119 10.479 -12.260 1.00 10.00 N ATOM 958 CA GLN A 75 3.675 10.174 -13.614 1.00 10.00 C ATOM 959 C GLN A 75 2.221 10.589 -13.816 1.00 10.00 C ATOM 960 O GLN A 75 1.850 11.108 -14.867 1.00 10.00 O ATOM 961 CB GLN A 75 3.835 8.682 -13.910 1.00 10.00 C ATOM 962 CG GLN A 75 3.343 8.278 -15.292 1.00 10.00 C ATOM 963 CD GLN A 75 4.154 8.904 -16.411 1.00 10.00 C ATOM 964 OE1 GLN A 75 5.351 9.141 -16.267 1.00 10.00 O ATOM 965 NE2 GLN A 75 3.505 9.177 -17.532 1.00 10.00 N ATOM 0 H GLN A 75 4.141 9.676 -11.632 1.00 10.00 H new ATOM 0 HA GLN A 75 4.299 10.741 -14.306 1.00 10.00 H new ATOM 0 HB2 GLN A 75 4.887 8.412 -13.815 1.00 10.00 H new ATOM 0 HB3 GLN A 75 3.290 8.111 -13.158 1.00 10.00 H new ATOM 0 HG2 GLN A 75 3.383 7.193 -15.384 1.00 10.00 H new ATOM 0 HG3 GLN A 75 2.298 8.569 -15.400 1.00 10.00 H new ATOM 0 HE21 GLN A 75 2.511 8.964 -17.610 1.00 10.00 H new ATOM 0 HE22 GLN A 75 3.999 9.600 -18.317 1.00 10.00 H new ATOM 974 N LEU A 76 1.403 10.372 -12.800 1.00 10.00 N ATOM 975 CA LEU A 76 -0.009 10.717 -12.881 1.00 10.00 C ATOM 976 C LEU A 76 -0.255 12.128 -12.356 1.00 10.00 C ATOM 977 O LEU A 76 -1.402 12.544 -12.200 1.00 10.00 O ATOM 978 CB LEU A 76 -0.851 9.710 -12.093 1.00 10.00 C ATOM 979 CG LEU A 76 -0.544 8.237 -12.374 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.431 7.340 -11.527 1.00 10.00 C ATOM 981 CD2 LEU A 76 -0.720 7.927 -13.853 1.00 10.00 C ATOM 0 H LEU A 76 1.689 9.960 -11.912 1.00 10.00 H new ATOM 0 HA LEU A 76 -0.306 10.682 -13.929 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -0.709 9.897 -11.029 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -1.903 9.892 -12.311 1.00 10.00 H new ATOM 0 HG LEU A 76 0.495 8.043 -12.107 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -1.200 6.296 -11.739 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -1.253 7.544 -10.471 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.477 7.535 -11.763 1.00 10.00 H new ATOM 0 HD21 LEU A 76 -0.497 6.875 -14.033 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -1.748 8.136 -14.149 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -0.041 8.547 -14.438 1.00 10.00 H new ATOM 993 N GLU A 77 0.834 12.853 -12.085 1.00 10.00 N ATOM 994 CA GLU A 77 0.759 14.222 -11.573 1.00 10.00 C ATOM 995 C GLU A 77 -0.081 14.273 -10.300 1.00 10.00 C ATOM 996 O GLU A 77 -0.948 15.136 -10.136 1.00 10.00 O ATOM 997 CB GLU A 77 0.182 15.162 -12.636 1.00 10.00 C ATOM 998 CG GLU A 77 0.973 15.171 -13.934 1.00 10.00 C ATOM 999 CD GLU A 77 2.274 15.942 -13.829 1.00 10.00 C ATOM 1000 OE1 GLU A 77 3.296 15.350 -13.424 1.00 10.00 O ATOM 1001 OE2 GLU A 77 2.282 17.144 -14.165 1.00 10.00 O ATOM 0 H GLU A 77 1.786 12.509 -12.214 1.00 10.00 H new ATOM 0 HA GLU A 77 1.769 14.554 -11.331 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -0.846 14.869 -12.849 1.00 10.00 H new ATOM 0 HB3 GLU A 77 0.148 16.175 -12.234 1.00 10.00 H new ATOM 0 HG2 GLU A 77 1.188 14.144 -14.229 1.00 10.00 H new ATOM 0 HG3 GLU A 77 0.361 15.608 -14.723 1.00 10.00 H new ATOM 1008 N MET A 78 0.178 13.327 -9.410 1.00 10.00 N ATOM 1009 CA MET A 78 -0.547 13.240 -8.154 1.00 10.00 C ATOM 1010 C MET A 78 -0.013 14.258 -7.164 1.00 10.00 C ATOM 1011 O MET A 78 1.139 14.685 -7.255 1.00 10.00 O ATOM 1012 CB MET A 78 -0.427 11.839 -7.554 1.00 10.00 C ATOM 1013 CG MET A 78 -0.869 10.728 -8.489 1.00 10.00 C ATOM 1014 SD MET A 78 -0.917 9.118 -7.678 1.00 10.00 S ATOM 1015 CE MET A 78 -2.080 9.447 -6.356 1.00 10.00 C ATOM 0 H MET A 78 0.889 12.606 -9.536 1.00 10.00 H new ATOM 0 HA MET A 78 -1.597 13.450 -8.358 1.00 10.00 H new ATOM 0 HB2 MET A 78 0.610 11.666 -7.265 1.00 10.00 H new ATOM 0 HB3 MET A 78 -1.024 11.792 -6.643 1.00 10.00 H new ATOM 0 HG2 MET A 78 -1.858 10.962 -8.883 1.00 10.00 H new ATOM 0 HG3 MET A 78 -0.189 10.682 -9.340 1.00 10.00 H new ATOM 0 HE1 MET A 78 -2.728 8.582 -6.218 1.00 10.00 H new ATOM 0 HE2 MET A 78 -1.535 9.644 -5.433 1.00 10.00 H new ATOM 0 HE3 MET A 78 -2.686 10.316 -6.612 1.00 10.00 H new ATOM 1025 N GLU A 79 -0.849 14.635 -6.216 1.00 10.00 N ATOM 1026 CA GLU A 79 -0.463 15.596 -5.207 1.00 10.00 C ATOM 1027 C GLU A 79 -0.927 15.134 -3.836 1.00 10.00 C ATOM 1028 O GLU A 79 -1.585 14.101 -3.710 1.00 10.00 O ATOM 1029 CB GLU A 79 -1.019 16.982 -5.534 1.00 10.00 C ATOM 1030 CG GLU A 79 0.036 17.936 -6.075 1.00 10.00 C ATOM 1031 CD GLU A 79 1.274 17.969 -5.203 1.00 10.00 C ATOM 1032 OE1 GLU A 79 1.129 18.024 -3.965 1.00 10.00 O ATOM 1033 OE2 GLU A 79 2.401 17.942 -5.747 1.00 10.00 O ATOM 0 H GLU A 79 -1.804 14.287 -6.125 1.00 10.00 H new ATOM 0 HA GLU A 79 0.625 15.668 -5.196 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -1.820 16.882 -6.267 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -1.461 17.411 -4.635 1.00 10.00 H new ATOM 0 HG2 GLU A 79 0.313 17.635 -7.085 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -0.385 18.939 -6.145 1.00 10.00 H new ATOM 1040 N ASP A 80 -0.566 15.890 -2.812 1.00 10.00 N ATOM 1041 CA ASP A 80 -0.927 15.546 -1.445 1.00 10.00 C ATOM 1042 C ASP A 80 -2.434 15.623 -1.247 1.00 10.00 C ATOM 1043 O ASP A 80 -3.104 16.454 -1.868 1.00 10.00 O ATOM 1044 CB ASP A 80 -0.220 16.475 -0.457 1.00 10.00 C ATOM 1045 CG ASP A 80 0.069 15.798 0.866 1.00 10.00 C ATOM 1046 OD1 ASP A 80 1.092 15.083 0.961 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -0.715 15.986 1.818 1.00 10.00 O ATOM 0 H ASP A 80 -0.022 16.748 -2.901 1.00 10.00 H new ATOM 0 HA ASP A 80 -0.606 14.521 -1.258 1.00 10.00 H new ATOM 0 HB2 ASP A 80 0.715 16.824 -0.896 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -0.839 17.356 -0.284 1.00 10.00 H new ATOM 1052 N GLU A 81 -2.952 14.733 -0.402 1.00 10.00 N ATOM 1053 CA GLU A 81 -4.381 14.662 -0.083 1.00 10.00 C ATOM 1054 C GLU A 81 -5.192 14.080 -1.240 1.00 10.00 C ATOM 1055 O GLU A 81 -6.414 14.239 -1.291 1.00 10.00 O ATOM 1056 CB GLU A 81 -4.937 16.035 0.310 1.00 10.00 C ATOM 1057 CG GLU A 81 -4.534 16.487 1.704 1.00 10.00 C ATOM 1058 CD GLU A 81 -5.493 17.516 2.266 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -5.170 18.723 2.225 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -6.580 17.122 2.743 1.00 10.00 O ATOM 0 H GLU A 81 -2.390 14.035 0.085 1.00 10.00 H new ATOM 0 HA GLU A 81 -4.478 13.992 0.771 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -4.596 16.775 -0.414 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -6.025 16.007 0.248 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -4.498 15.624 2.369 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -3.529 16.907 1.672 1.00 10.00 H new ATOM 1067 N ASP A 82 -4.518 13.403 -2.163 1.00 10.00 N ATOM 1068 CA ASP A 82 -5.196 12.787 -3.299 1.00 10.00 C ATOM 1069 C ASP A 82 -6.022 11.600 -2.825 1.00 10.00 C ATOM 1070 O ASP A 82 -5.701 10.984 -1.810 1.00 10.00 O ATOM 1071 CB ASP A 82 -4.190 12.339 -4.362 1.00 10.00 C ATOM 1072 CG ASP A 82 -4.373 13.074 -5.677 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -5.532 13.260 -6.106 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -3.359 13.476 -6.287 1.00 10.00 O ATOM 0 H ASP A 82 -3.507 13.267 -2.148 1.00 10.00 H new ATOM 0 HA ASP A 82 -5.856 13.528 -3.750 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -3.178 12.505 -3.994 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -4.296 11.267 -4.530 1.00 10.00 H new ATOM 1079 N THR A 83 -7.082 11.278 -3.550 1.00 10.00 N ATOM 1080 CA THR A 83 -7.950 10.175 -3.168 1.00 10.00 C ATOM 1081 C THR A 83 -7.840 8.996 -4.134 1.00 10.00 C ATOM 1082 O THR A 83 -8.032 9.138 -5.344 1.00 10.00 O ATOM 1083 CB THR A 83 -9.414 10.638 -3.092 1.00 10.00 C ATOM 1084 OG1 THR A 83 -9.472 11.984 -2.593 1.00 10.00 O ATOM 1085 CG2 THR A 83 -10.226 9.722 -2.188 1.00 10.00 C ATOM 0 H THR A 83 -7.361 11.763 -4.403 1.00 10.00 H new ATOM 0 HA THR A 83 -7.620 9.840 -2.185 1.00 10.00 H new ATOM 0 HB THR A 83 -9.839 10.600 -4.095 1.00 10.00 H new ATOM 0 HG1 THR A 83 -10.406 12.276 -2.548 1.00 10.00 H new ATOM 0 HG21 THR A 83 -11.258 10.070 -2.150 1.00 10.00 H new ATOM 0 HG22 THR A 83 -10.200 8.706 -2.582 1.00 10.00 H new ATOM 0 HG23 THR A 83 -9.802 9.733 -1.184 1.00 10.00 H new ATOM 1093 N ILE A 84 -7.531 7.834 -3.580 1.00 10.00 N ATOM 1094 CA ILE A 84 -7.404 6.615 -4.363 1.00 10.00 C ATOM 1095 C ILE A 84 -8.681 5.794 -4.248 1.00 10.00 C ATOM 1096 O ILE A 84 -9.086 5.415 -3.148 1.00 10.00 O ATOM 1097 CB ILE A 84 -6.206 5.767 -3.890 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -4.961 6.644 -3.745 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -5.942 4.625 -4.863 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -3.923 6.070 -2.809 1.00 10.00 C ATOM 0 H ILE A 84 -7.362 7.709 -2.582 1.00 10.00 H new ATOM 0 HA ILE A 84 -7.236 6.898 -5.402 1.00 10.00 H new ATOM 0 HB ILE A 84 -6.447 5.340 -2.917 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -4.512 6.788 -4.728 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -5.260 7.628 -3.383 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -5.093 4.038 -4.513 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -6.824 3.988 -4.924 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -5.720 5.032 -5.850 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -3.069 6.745 -2.755 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -4.355 5.951 -1.815 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.595 5.099 -3.180 1.00 10.00 H new ATOM 1112 N ASP A 85 -9.317 5.530 -5.378 1.00 10.00 N ATOM 1113 CA ASP A 85 -10.561 4.769 -5.393 1.00 10.00 C ATOM 1114 C ASP A 85 -10.294 3.281 -5.565 1.00 10.00 C ATOM 1115 O ASP A 85 -9.635 2.866 -6.518 1.00 10.00 O ATOM 1116 CB ASP A 85 -11.472 5.260 -6.521 1.00 10.00 C ATOM 1117 CG ASP A 85 -12.339 6.430 -6.104 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -13.265 6.235 -5.290 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -12.105 7.552 -6.600 1.00 10.00 O ATOM 0 H ASP A 85 -8.994 5.830 -6.298 1.00 10.00 H new ATOM 0 HA ASP A 85 -11.056 4.924 -4.434 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -10.861 5.552 -7.375 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -12.110 4.440 -6.851 1.00 10.00 H new ATOM 1124 N VAL A 86 -10.802 2.483 -4.638 1.00 10.00 N ATOM 1125 CA VAL A 86 -10.634 1.037 -4.696 1.00 10.00 C ATOM 1126 C VAL A 86 -11.973 0.366 -4.983 1.00 10.00 C ATOM 1127 O VAL A 86 -12.969 0.636 -4.308 1.00 10.00 O ATOM 1128 CB VAL A 86 -10.046 0.473 -3.383 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -9.820 -1.030 -3.496 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -8.747 1.180 -3.025 1.00 10.00 C ATOM 0 H VAL A 86 -11.336 2.813 -3.834 1.00 10.00 H new ATOM 0 HA VAL A 86 -9.931 0.822 -5.501 1.00 10.00 H new ATOM 0 HB VAL A 86 -10.766 0.654 -2.585 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -9.406 -1.407 -2.561 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -10.769 -1.526 -3.699 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -9.123 -1.233 -4.309 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -8.351 0.767 -2.097 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -8.021 1.035 -3.825 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -8.936 2.246 -2.896 1.00 10.00 H new ATOM 1140 N PHE A 87 -11.995 -0.491 -5.993 1.00 10.00 N ATOM 1141 CA PHE A 87 -13.207 -1.200 -6.382 1.00 10.00 C ATOM 1142 C PHE A 87 -12.955 -2.704 -6.415 1.00 10.00 C ATOM 1143 O PHE A 87 -11.842 -3.155 -6.153 1.00 10.00 O ATOM 1144 CB PHE A 87 -13.689 -0.718 -7.756 1.00 10.00 C ATOM 1145 CG PHE A 87 -14.123 0.721 -7.775 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -15.336 1.099 -7.221 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -13.317 1.695 -8.345 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -15.736 2.423 -7.234 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -13.713 3.020 -8.361 1.00 10.00 C ATOM 1150 CZ PHE A 87 -14.923 3.383 -7.805 1.00 10.00 C ATOM 0 H PHE A 87 -11.179 -0.714 -6.563 1.00 10.00 H new ATOM 0 HA PHE A 87 -13.981 -0.990 -5.644 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -12.887 -0.856 -8.481 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -14.521 -1.343 -8.079 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -15.975 0.352 -6.775 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -12.369 1.416 -8.781 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -16.683 2.706 -6.798 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -13.076 3.769 -8.808 1.00 10.00 H new ATOM 0 HZ PHE A 87 -15.234 4.417 -7.816 1.00 10.00 H new ATOM 1160 N GLN A 88 -13.985 -3.475 -6.739 1.00 10.00 N ATOM 1161 CA GLN A 88 -13.867 -4.928 -6.802 1.00 10.00 C ATOM 1162 C GLN A 88 -14.148 -5.428 -8.212 1.00 10.00 C ATOM 1163 O GLN A 88 -14.736 -4.715 -9.028 1.00 10.00 O ATOM 1164 CB GLN A 88 -14.840 -5.591 -5.823 1.00 10.00 C ATOM 1165 CG GLN A 88 -14.389 -5.532 -4.371 1.00 10.00 C ATOM 1166 CD GLN A 88 -14.168 -6.909 -3.774 1.00 10.00 C ATOM 1167 OE1 GLN A 88 -13.768 -7.844 -4.466 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -14.443 -7.046 -2.486 1.00 10.00 N ATOM 0 H GLN A 88 -14.914 -3.118 -6.963 1.00 10.00 H new ATOM 0 HA GLN A 88 -12.847 -5.193 -6.526 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -15.814 -5.109 -5.911 1.00 10.00 H new ATOM 0 HB3 GLN A 88 -14.974 -6.634 -6.110 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -13.465 -4.958 -4.304 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -15.137 -5.001 -3.783 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -14.773 -6.245 -1.947 1.00 10.00 H new ATOM 0 HE22 GLN A 88 -14.325 -7.952 -2.033 1.00 10.00 H new ATOM 1177 N GLN A 89 -13.720 -6.646 -8.499 1.00 10.00 N ATOM 1178 CA GLN A 89 -13.944 -7.240 -9.807 1.00 10.00 C ATOM 1179 C GLN A 89 -15.214 -8.087 -9.784 1.00 10.00 C ATOM 1180 O GLN A 89 -15.477 -8.795 -8.812 1.00 10.00 O ATOM 1181 CB GLN A 89 -12.736 -8.087 -10.225 1.00 10.00 C ATOM 1182 CG GLN A 89 -12.853 -8.681 -11.625 1.00 10.00 C ATOM 1183 CD GLN A 89 -13.084 -7.632 -12.700 1.00 10.00 C ATOM 1184 OE1 GLN A 89 -12.628 -6.493 -12.592 1.00 10.00 O ATOM 1185 NE2 GLN A 89 -13.802 -8.013 -13.745 1.00 10.00 N ATOM 0 H GLN A 89 -13.215 -7.243 -7.844 1.00 10.00 H new ATOM 0 HA GLN A 89 -14.070 -6.443 -10.540 1.00 10.00 H new ATOM 0 HB2 GLN A 89 -11.838 -7.471 -10.176 1.00 10.00 H new ATOM 0 HB3 GLN A 89 -12.606 -8.897 -9.507 1.00 10.00 H new ATOM 0 HG2 GLN A 89 -11.943 -9.235 -11.856 1.00 10.00 H new ATOM 0 HG3 GLN A 89 -13.675 -9.397 -11.642 1.00 10.00 H new ATOM 0 HE21 GLN A 89 -14.162 -8.966 -13.796 1.00 10.00 H new ATOM 0 HE22 GLN A 89 -13.995 -7.353 -14.499 1.00 10.00 H new ATOM 1194 N GLN A 90 -16.000 -7.989 -10.849 1.00 10.00 N ATOM 1195 CA GLN A 90 -17.252 -8.729 -10.970 1.00 10.00 C ATOM 1196 C GLN A 90 -17.012 -10.235 -10.911 1.00 10.00 C ATOM 1197 O GLN A 90 -16.241 -10.785 -11.700 1.00 10.00 O ATOM 1198 CB GLN A 90 -17.957 -8.366 -12.282 1.00 10.00 C ATOM 1199 CG GLN A 90 -18.586 -6.979 -12.290 1.00 10.00 C ATOM 1200 CD GLN A 90 -17.561 -5.859 -12.325 1.00 10.00 C ATOM 1201 OE1 GLN A 90 -16.456 -6.025 -12.843 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -17.922 -4.710 -11.778 1.00 10.00 N ATOM 0 H GLN A 90 -15.789 -7.396 -11.652 1.00 10.00 H new ATOM 0 HA GLN A 90 -17.888 -8.451 -10.129 1.00 10.00 H new ATOM 0 HB2 GLN A 90 -17.237 -8.431 -13.098 1.00 10.00 H new ATOM 0 HB3 GLN A 90 -18.733 -9.106 -12.481 1.00 10.00 H new ATOM 0 HG2 GLN A 90 -19.242 -6.890 -13.156 1.00 10.00 H new ATOM 0 HG3 GLN A 90 -19.210 -6.865 -11.404 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -18.847 -4.613 -11.359 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -17.276 -3.921 -11.775 1.00 10.00 H new ATOM 1211 N THR A 91 -17.686 -10.892 -9.979 1.00 10.00 N ATOM 1212 CA THR A 91 -17.556 -12.330 -9.795 1.00 10.00 C ATOM 1213 C THR A 91 -18.511 -13.096 -10.711 1.00 10.00 C ATOM 1214 O THR A 91 -18.516 -14.329 -10.735 1.00 10.00 O ATOM 1215 CB THR A 91 -17.834 -12.707 -8.330 1.00 10.00 C ATOM 1216 OG1 THR A 91 -18.695 -11.721 -7.736 1.00 10.00 O ATOM 1217 CG2 THR A 91 -16.539 -12.795 -7.540 1.00 10.00 C ATOM 0 H THR A 91 -18.336 -10.446 -9.331 1.00 10.00 H new ATOM 0 HA THR A 91 -16.534 -12.606 -10.054 1.00 10.00 H new ATOM 0 HB THR A 91 -18.319 -13.683 -8.308 1.00 10.00 H new ATOM 0 HG1 THR A 91 -18.874 -11.962 -6.803 1.00 10.00 H new ATOM 0 HG21 THR A 91 -16.761 -13.063 -6.507 1.00 10.00 H new ATOM 0 HG22 THR A 91 -15.894 -13.555 -7.982 1.00 10.00 H new ATOM 0 HG23 THR A 91 -16.032 -11.830 -7.564 1.00 10.00 H new ATOM 1225 N GLY A 92 -19.324 -12.359 -11.454 1.00 10.00 N ATOM 1226 CA GLY A 92 -20.266 -12.978 -12.363 1.00 10.00 C ATOM 1227 C GLY A 92 -20.638 -12.056 -13.503 1.00 10.00 C ATOM 1228 O GLY A 92 -20.179 -10.909 -13.550 1.00 10.00 O ATOM 0 H GLY A 92 -19.348 -11.339 -11.443 1.00 10.00 H new ATOM 0 HA2 GLY A 92 -19.835 -13.895 -12.764 1.00 10.00 H new ATOM 0 HA3 GLY A 92 -21.166 -13.261 -11.816 1.00 10.00 H new ATOM 1233 N ASP B 195 -13.436 6.015 15.093 1.00 10.00 N ATOM 1234 CA ASP B 195 -13.734 5.404 13.805 1.00 10.00 C ATOM 1235 C ASP B 195 -12.571 4.524 13.371 1.00 10.00 C ATOM 1236 O ASP B 195 -11.856 3.980 14.216 1.00 10.00 O ATOM 1237 CB ASP B 195 -14.002 6.479 12.755 1.00 10.00 C ATOM 1238 CG ASP B 195 -15.115 6.085 11.808 1.00 10.00 C ATOM 1239 OD1 ASP B 195 -16.268 6.499 12.043 1.00 10.00 O ATOM 1240 OD2 ASP B 195 -14.845 5.357 10.829 1.00 10.00 O ATOM 0 HA ASP B 195 -14.628 4.789 13.905 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -14.263 7.413 13.252 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -13.091 6.664 12.186 1.00 10.00 H new ATOM 1245 N THR B 196 -12.356 4.406 12.069 1.00 10.00 N ATOM 1246 CA THR B 196 -11.271 3.578 11.582 1.00 10.00 C ATOM 1247 C THR B 196 -10.240 4.400 10.815 1.00 10.00 C ATOM 1248 O THR B 196 -10.559 5.084 9.839 1.00 10.00 O ATOM 1249 CB THR B 196 -11.822 2.484 10.648 1.00 10.00 C ATOM 1250 OG1 THR B 196 -13.050 1.963 11.169 1.00 10.00 O ATOM 1251 CG2 THR B 196 -10.822 1.353 10.479 1.00 10.00 C ATOM 0 H THR B 196 -12.909 4.865 11.345 1.00 10.00 H new ATOM 0 HA THR B 196 -10.788 3.129 12.450 1.00 10.00 H new ATOM 0 HB THR B 196 -12.002 2.936 9.673 1.00 10.00 H new ATOM 0 HG1 THR B 196 -13.393 1.270 10.567 1.00 10.00 H new ATOM 0 HG21 THR B 196 -11.238 0.596 9.815 1.00 10.00 H new ATOM 0 HG22 THR B 196 -9.899 1.744 10.050 1.00 10.00 H new ATOM 0 HG23 THR B 196 -10.610 0.907 11.451 1.00 10.00 H new ATOM 1259 N ALA B 197 -9.000 4.319 11.279 1.00 10.00 N ATOM 1260 CA ALA B 197 -7.887 5.011 10.652 1.00 10.00 C ATOM 1261 C ALA B 197 -6.763 4.025 10.344 1.00 10.00 C ATOM 1262 O ALA B 197 -6.337 3.283 11.228 1.00 10.00 O ATOM 1263 CB ALA B 197 -7.390 6.135 11.548 1.00 10.00 C ATOM 0 H ALA B 197 -8.740 3.772 12.100 1.00 10.00 H new ATOM 0 HA ALA B 197 -8.227 5.450 9.714 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -6.556 6.644 11.065 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -8.198 6.846 11.722 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -7.060 5.722 12.501 1.00 10.00 H new ATOM 1269 N GLY B 198 -6.291 4.022 9.116 1.00 10.00 N ATOM 1270 CA GLY B 198 -5.219 3.129 8.735 1.00 10.00 C ATOM 1271 C GLY B 198 -4.041 3.890 8.171 1.00 10.00 C ATOM 1272 O GLY B 198 -4.231 4.760 7.337 1.00 10.00 O ATOM 0 H GLY B 198 -6.631 4.625 8.367 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -4.899 2.551 9.602 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -5.583 2.417 7.994 1.00 10.00 H new ATOM 1276 N CYS B 199 -2.836 3.605 8.636 1.00 10.00 N ATOM 1277 CA CYS B 199 -1.662 4.296 8.110 1.00 10.00 C ATOM 1278 C CYS B 199 -0.702 3.288 7.476 1.00 10.00 C ATOM 1279 O CYS B 199 -0.312 2.312 8.110 1.00 10.00 O ATOM 1280 CB CYS B 199 -0.956 5.061 9.237 1.00 10.00 C ATOM 1281 SG CYS B 199 -2.082 5.860 10.404 1.00 10.00 S ATOM 0 H CYS B 199 -2.642 2.915 9.362 1.00 10.00 H new ATOM 0 HA CYS B 199 -1.980 5.006 7.347 1.00 10.00 H new ATOM 0 HB2 CYS B 199 -0.313 4.371 9.783 1.00 10.00 H new ATOM 0 HB3 CYS B 199 -0.308 5.819 8.797 1.00 10.00 H new ATOM 0 HG CYS B 199 -1.394 6.477 11.318 1.00 10.00 H new ATOM 1287 N ILE B 200 -0.360 3.504 6.207 1.00 10.00 N ATOM 1288 CA ILE B 200 0.567 2.619 5.506 1.00 10.00 C ATOM 1289 C ILE B 200 1.723 3.411 4.888 1.00 10.00 C ATOM 1290 O ILE B 200 1.496 4.419 4.220 1.00 10.00 O ATOM 1291 CB ILE B 200 -0.135 1.770 4.413 1.00 10.00 C ATOM 1292 CG1 ILE B 200 -1.343 1.031 5.004 1.00 10.00 C ATOM 1293 CG2 ILE B 200 0.851 0.776 3.818 1.00 10.00 C ATOM 1294 CD1 ILE B 200 -2.007 0.048 4.057 1.00 10.00 C ATOM 0 H ILE B 200 -0.709 4.281 5.646 1.00 10.00 H new ATOM 0 HA ILE B 200 0.963 1.933 6.254 1.00 10.00 H new ATOM 0 HB ILE B 200 -0.489 2.434 3.624 1.00 10.00 H new ATOM 0 HG12 ILE B 200 -1.023 0.495 5.898 1.00 10.00 H new ATOM 0 HG13 ILE B 200 -2.083 1.766 5.321 1.00 10.00 H new ATOM 0 HG21 ILE B 200 0.352 0.183 3.051 1.00 10.00 H new ATOM 0 HG22 ILE B 200 1.687 1.315 3.373 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.221 0.117 4.603 1.00 10.00 H new ATOM 0 HD11 ILE B 200 -2.850 -0.427 4.558 1.00 10.00 H new ATOM 0 HD12 ILE B 200 -2.362 0.578 3.173 1.00 10.00 H new ATOM 0 HD13 ILE B 200 -1.286 -0.713 3.759 1.00 10.00 H new ATOM 1306 N VAL B 201 2.953 2.983 5.122 1.00 10.00 N ATOM 1307 CA VAL B 201 4.118 3.656 4.551 1.00 10.00 C ATOM 1308 C VAL B 201 4.928 2.677 3.702 1.00 10.00 C ATOM 1309 O VAL B 201 5.193 1.553 4.130 1.00 10.00 O ATOM 1310 CB VAL B 201 5.019 4.291 5.641 1.00 10.00 C ATOM 1311 CG1 VAL B 201 5.331 3.293 6.741 1.00 10.00 C ATOM 1312 CG2 VAL B 201 6.306 4.830 5.031 1.00 10.00 C ATOM 0 H VAL B 201 3.175 2.174 5.702 1.00 10.00 H new ATOM 0 HA VAL B 201 3.750 4.466 3.921 1.00 10.00 H new ATOM 0 HB VAL B 201 4.471 5.123 6.083 1.00 10.00 H new ATOM 0 HG11 VAL B 201 5.964 3.765 7.492 1.00 10.00 H new ATOM 0 HG12 VAL B 201 4.402 2.962 7.206 1.00 10.00 H new ATOM 0 HG13 VAL B 201 5.851 2.434 6.316 1.00 10.00 H new ATOM 0 HG21 VAL B 201 6.923 5.271 5.814 1.00 10.00 H new ATOM 0 HG22 VAL B 201 6.852 4.016 4.555 1.00 10.00 H new ATOM 0 HG23 VAL B 201 6.066 5.590 4.287 1.00 10.00 H new ATOM 1322 N ILE B 202 5.283 3.069 2.488 1.00 10.00 N ATOM 1323 CA ILE B 202 6.063 2.189 1.625 1.00 10.00 C ATOM 1324 C ILE B 202 7.386 2.851 1.249 1.00 10.00 C ATOM 1325 O ILE B 202 7.416 4.009 0.818 1.00 10.00 O ATOM 1326 CB ILE B 202 5.286 1.795 0.335 1.00 10.00 C ATOM 1327 CG1 ILE B 202 5.114 3.005 -0.601 1.00 10.00 C ATOM 1328 CG2 ILE B 202 3.931 1.201 0.700 1.00 10.00 C ATOM 1329 CD1 ILE B 202 4.266 2.729 -1.824 1.00 10.00 C ATOM 0 H ILE B 202 5.049 3.975 2.081 1.00 10.00 H new ATOM 0 HA ILE B 202 6.258 1.276 2.188 1.00 10.00 H new ATOM 0 HB ILE B 202 5.867 1.043 -0.198 1.00 10.00 H new ATOM 0 HG12 ILE B 202 4.665 3.824 -0.039 1.00 10.00 H new ATOM 0 HG13 ILE B 202 6.099 3.343 -0.924 1.00 10.00 H new ATOM 0 HG21 ILE B 202 3.396 0.929 -0.210 1.00 10.00 H new ATOM 0 HG22 ILE B 202 4.077 0.313 1.315 1.00 10.00 H new ATOM 0 HG23 ILE B 202 3.350 1.936 1.257 1.00 10.00 H new ATOM 0 HD11 ILE B 202 4.195 3.633 -2.429 1.00 10.00 H new ATOM 0 HD12 ILE B 202 4.723 1.933 -2.412 1.00 10.00 H new ATOM 0 HD13 ILE B 202 3.268 2.422 -1.513 1.00 10.00 H new