USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 486 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.23 K(o=-1.2,f=-4.9!) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 22 MET CE :methyl 176:sc= -7.7! (180deg=-7.94!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -133:sc= -0.814 (180deg=-5.3!) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 MET CE :methyl -169:sc= -1.01 (180deg=-1.25) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.0218 USER MOD Single : A 39 CYS SG : rot 88:sc= -0.0621 USER MOD Single : A 44 ASN : amide:sc= -1.56 K(o=-1.6,f=-3!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 75:sc= -0.0364 USER MOD Single : A 54 GLN : amide:sc= -0.0216 X(o=-0.022,f=-0.28) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 38:sc= 0.913 USER MOD Single : A 66 SER OG : rot 36:sc= 0.0106 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.629 21.326 -2.521 1.00 0.00 N ATOM 2 CA GLY A 1 -23.957 20.248 -3.227 1.00 0.00 C ATOM 3 C GLY A 1 -22.451 20.271 -2.957 1.00 0.00 C ATOM 4 O GLY A 1 -22.001 19.844 -1.895 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.649 21.289 -2.720 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.472 21.222 -1.498 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.247 22.240 -2.839 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.372 19.290 -2.914 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.140 20.340 -4.298 1.00 0.00 H new ATOM 8 N SER A 2 -21.714 20.774 -3.936 1.00 0.00 N ATOM 9 CA SER A 2 -20.269 20.859 -3.817 1.00 0.00 C ATOM 10 C SER A 2 -19.682 19.469 -3.561 1.00 0.00 C ATOM 11 O SER A 2 -19.386 19.117 -2.420 1.00 0.00 O ATOM 12 CB SER A 2 -19.863 21.820 -2.699 1.00 0.00 C ATOM 13 OG SER A 2 -19.699 23.153 -3.174 1.00 0.00 O ATOM 0 H SER A 2 -22.091 21.127 -4.816 1.00 0.00 H new ATOM 0 HA SER A 2 -19.872 21.248 -4.755 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.620 21.805 -1.915 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.931 21.479 -2.248 1.00 0.00 H new ATOM 0 HG SER A 2 -19.441 23.736 -2.430 1.00 0.00 H new ATOM 19 N SER A 3 -19.533 18.716 -4.641 1.00 0.00 N ATOM 20 CA SER A 3 -18.987 17.373 -4.547 1.00 0.00 C ATOM 21 C SER A 3 -19.682 16.603 -3.422 1.00 0.00 C ATOM 22 O SER A 3 -19.302 16.720 -2.258 1.00 0.00 O ATOM 23 CB SER A 3 -17.476 17.407 -4.312 1.00 0.00 C ATOM 24 OG SER A 3 -16.803 18.210 -5.278 1.00 0.00 O ATOM 0 H SER A 3 -19.781 19.011 -5.586 1.00 0.00 H new ATOM 0 HA SER A 3 -19.168 16.864 -5.493 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.273 17.795 -3.314 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.081 16.392 -4.346 1.00 0.00 H new ATOM 0 HG SER A 3 -15.841 18.207 -5.092 1.00 0.00 H new ATOM 30 N GLY A 4 -20.688 15.833 -3.809 1.00 0.00 N ATOM 31 CA GLY A 4 -21.440 15.044 -2.847 1.00 0.00 C ATOM 32 C GLY A 4 -22.233 13.938 -3.546 1.00 0.00 C ATOM 33 O GLY A 4 -21.962 12.755 -3.347 1.00 0.00 O ATOM 0 H GLY A 4 -21.000 15.738 -4.775 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.758 14.603 -2.120 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.121 15.691 -2.294 1.00 0.00 H new ATOM 37 N SER A 5 -23.197 14.362 -4.350 1.00 0.00 N ATOM 38 CA SER A 5 -24.031 13.422 -5.079 1.00 0.00 C ATOM 39 C SER A 5 -23.644 13.417 -6.559 1.00 0.00 C ATOM 40 O SER A 5 -23.273 12.379 -7.104 1.00 0.00 O ATOM 41 CB SER A 5 -25.514 13.763 -4.920 1.00 0.00 C ATOM 42 OG SER A 5 -26.230 12.730 -4.249 1.00 0.00 O ATOM 0 H SER A 5 -23.419 15.344 -4.513 1.00 0.00 H new ATOM 0 HA SER A 5 -23.868 12.427 -4.664 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.614 14.694 -4.363 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.955 13.930 -5.903 1.00 0.00 H new ATOM 0 HG SER A 5 -27.172 12.986 -4.166 1.00 0.00 H new ATOM 48 N SER A 6 -23.743 14.590 -7.168 1.00 0.00 N ATOM 49 CA SER A 6 -23.408 14.734 -8.574 1.00 0.00 C ATOM 50 C SER A 6 -22.004 15.326 -8.719 1.00 0.00 C ATOM 51 O SER A 6 -21.778 16.486 -8.378 1.00 0.00 O ATOM 52 CB SER A 6 -24.431 15.611 -9.297 1.00 0.00 C ATOM 53 OG SER A 6 -25.743 15.057 -9.243 1.00 0.00 O ATOM 0 H SER A 6 -24.051 15.449 -6.713 1.00 0.00 H new ATOM 0 HA SER A 6 -23.428 13.746 -9.034 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.438 16.604 -8.848 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.132 15.734 -10.338 1.00 0.00 H new ATOM 0 HG SER A 6 -26.367 15.647 -9.714 1.00 0.00 H new ATOM 59 N GLY A 7 -21.099 14.503 -9.226 1.00 0.00 N ATOM 60 CA GLY A 7 -19.724 14.930 -9.421 1.00 0.00 C ATOM 61 C GLY A 7 -18.744 13.818 -9.041 1.00 0.00 C ATOM 62 O GLY A 7 -18.872 13.209 -7.979 1.00 0.00 O ATOM 0 H GLY A 7 -21.291 13.542 -9.508 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.572 15.213 -10.463 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.526 15.816 -8.818 1.00 0.00 H new ATOM 66 N ARG A 8 -17.788 13.587 -9.928 1.00 0.00 N ATOM 67 CA ARG A 8 -16.788 12.558 -9.699 1.00 0.00 C ATOM 68 C ARG A 8 -15.997 12.862 -8.425 1.00 0.00 C ATOM 69 O ARG A 8 -15.912 14.013 -8.002 1.00 0.00 O ATOM 70 CB ARG A 8 -15.820 12.458 -10.880 1.00 0.00 C ATOM 71 CG ARG A 8 -16.504 11.833 -12.098 1.00 0.00 C ATOM 72 CD ARG A 8 -15.840 12.296 -13.396 1.00 0.00 C ATOM 73 NE ARG A 8 -16.171 11.360 -14.495 1.00 0.00 N ATOM 74 CZ ARG A 8 -15.493 11.286 -15.648 1.00 0.00 C ATOM 75 NH1 ARG A 8 -14.443 12.091 -15.861 1.00 0.00 N ATOM 76 NH2 ARG A 8 -15.865 10.407 -16.588 1.00 0.00 N ATOM 0 H ARG A 8 -17.684 14.095 -10.807 1.00 0.00 H new ATOM 0 HA ARG A 8 -17.309 11.607 -9.590 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -15.449 13.451 -11.136 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -14.955 11.858 -10.596 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -16.457 10.746 -12.028 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -17.559 12.106 -12.107 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -16.178 13.301 -13.649 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -14.759 12.347 -13.263 1.00 0.00 H new ATOM 0 HE ARG A 8 -16.965 10.733 -14.366 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -14.160 12.760 -15.145 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.927 12.034 -16.739 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -16.664 9.794 -16.426 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.349 10.350 -17.466 1.00 0.00 H new ATOM 90 N PRO A 9 -15.422 11.780 -7.834 1.00 0.00 N ATOM 91 CA PRO A 9 -14.641 11.919 -6.616 1.00 0.00 C ATOM 92 C PRO A 9 -13.270 12.529 -6.912 1.00 0.00 C ATOM 93 O PRO A 9 -12.931 12.774 -8.069 1.00 0.00 O ATOM 94 CB PRO A 9 -14.555 10.515 -6.041 1.00 0.00 C ATOM 95 CG PRO A 9 -14.889 9.574 -7.188 1.00 0.00 C ATOM 96 CD PRO A 9 -15.501 10.401 -8.306 1.00 0.00 C ATOM 0 HA PRO A 9 -15.098 12.601 -5.899 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.558 10.314 -5.648 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -15.255 10.388 -5.215 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.991 9.065 -7.538 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.585 8.803 -6.859 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.954 10.270 -9.240 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -16.533 10.106 -8.497 1.00 0.00 H new ATOM 104 N ALA A 10 -12.517 12.758 -5.846 1.00 0.00 N ATOM 105 CA ALA A 10 -11.190 13.335 -5.976 1.00 0.00 C ATOM 106 C ALA A 10 -10.480 13.281 -4.622 1.00 0.00 C ATOM 107 O ALA A 10 -11.121 13.108 -3.587 1.00 0.00 O ATOM 108 CB ALA A 10 -11.304 14.761 -6.518 1.00 0.00 C ATOM 0 H ALA A 10 -12.801 12.554 -4.888 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.591 12.764 -6.685 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.308 15.194 -6.615 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.788 14.742 -7.494 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.897 15.365 -5.831 1.00 0.00 H new ATOM 114 N ARG A 11 -9.164 13.432 -4.673 1.00 0.00 N ATOM 115 CA ARG A 11 -8.360 13.403 -3.463 1.00 0.00 C ATOM 116 C ARG A 11 -9.078 14.140 -2.331 1.00 0.00 C ATOM 117 O ARG A 11 -9.257 13.591 -1.244 1.00 0.00 O ATOM 118 CB ARG A 11 -6.992 14.048 -3.696 1.00 0.00 C ATOM 119 CG ARG A 11 -6.036 13.072 -4.384 1.00 0.00 C ATOM 120 CD ARG A 11 -4.765 13.786 -4.849 1.00 0.00 C ATOM 121 NE ARG A 11 -3.758 13.784 -3.764 1.00 0.00 N ATOM 122 CZ ARG A 11 -3.053 12.706 -3.396 1.00 0.00 C ATOM 123 NH1 ARG A 11 -3.241 11.536 -4.022 1.00 0.00 N ATOM 124 NH2 ARG A 11 -2.160 12.797 -2.401 1.00 0.00 N ATOM 0 H ARG A 11 -8.635 13.575 -5.533 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.214 12.359 -3.186 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.107 14.942 -4.308 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.569 14.366 -2.743 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.775 12.268 -3.696 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.533 12.612 -5.238 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.362 13.290 -5.732 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.999 14.811 -5.138 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.590 14.658 -3.265 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.921 11.466 -4.779 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.704 10.715 -3.741 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.017 13.687 -1.924 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.623 11.976 -2.121 1.00 0.00 H new ATOM 138 N GLN A 12 -9.469 15.371 -2.624 1.00 0.00 N ATOM 139 CA GLN A 12 -10.164 16.189 -1.643 1.00 0.00 C ATOM 140 C GLN A 12 -9.222 16.555 -0.495 1.00 0.00 C ATOM 141 O GLN A 12 -8.862 17.720 -0.330 1.00 0.00 O ATOM 142 CB GLN A 12 -11.413 15.476 -1.122 1.00 0.00 C ATOM 143 CG GLN A 12 -12.678 16.039 -1.774 1.00 0.00 C ATOM 144 CD GLN A 12 -12.964 17.459 -1.280 1.00 0.00 C ATOM 145 OE1 GLN A 12 -12.125 18.343 -1.333 1.00 0.00 O ATOM 146 NE2 GLN A 12 -14.192 17.627 -0.799 1.00 0.00 N ATOM 0 H GLN A 12 -9.318 15.822 -3.526 1.00 0.00 H new ATOM 0 HA GLN A 12 -10.487 17.110 -2.129 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -11.338 14.408 -1.327 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -11.476 15.589 -0.040 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -12.562 16.044 -2.858 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -13.526 15.393 -1.547 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.845 16.844 -0.784 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.481 18.539 -0.445 1.00 0.00 H new ATOM 155 N VAL A 13 -8.849 15.539 0.269 1.00 0.00 N ATOM 156 CA VAL A 13 -7.955 15.739 1.397 1.00 0.00 C ATOM 157 C VAL A 13 -6.505 15.657 0.916 1.00 0.00 C ATOM 158 O VAL A 13 -6.086 14.637 0.371 1.00 0.00 O ATOM 159 CB VAL A 13 -8.275 14.732 2.504 1.00 0.00 C ATOM 160 CG1 VAL A 13 -7.236 14.801 3.625 1.00 0.00 C ATOM 161 CG2 VAL A 13 -9.687 14.950 3.051 1.00 0.00 C ATOM 0 H VAL A 13 -9.150 14.574 0.129 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.099 16.731 1.826 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.234 13.733 2.071 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.487 14.075 4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.249 14.574 3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.231 15.803 4.055 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.889 14.222 3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.767 15.957 3.461 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.412 14.827 2.246 1.00 0.00 H new ATOM 171 N ARG A 14 -5.780 16.744 1.133 1.00 0.00 N ATOM 172 CA ARG A 14 -4.387 16.808 0.728 1.00 0.00 C ATOM 173 C ARG A 14 -3.579 15.714 1.430 1.00 0.00 C ATOM 174 O ARG A 14 -2.940 14.892 0.775 1.00 0.00 O ATOM 175 CB ARG A 14 -3.779 18.173 1.058 1.00 0.00 C ATOM 176 CG ARG A 14 -4.142 19.207 -0.009 1.00 0.00 C ATOM 177 CD ARG A 14 -5.516 19.822 0.269 1.00 0.00 C ATOM 178 NE ARG A 14 -5.848 20.814 -0.778 1.00 0.00 N ATOM 179 CZ ARG A 14 -6.874 21.672 -0.701 1.00 0.00 C ATOM 180 NH1 ARG A 14 -7.674 21.665 0.374 1.00 0.00 N ATOM 181 NH2 ARG A 14 -7.100 22.537 -1.699 1.00 0.00 N ATOM 0 H ARG A 14 -6.132 17.588 1.585 1.00 0.00 H new ATOM 0 HA ARG A 14 -4.348 16.657 -0.351 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -4.137 18.509 2.031 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.695 18.084 1.130 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.386 19.992 -0.032 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.142 18.736 -0.992 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.275 19.040 0.295 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -5.518 20.300 1.248 1.00 0.00 H new ATOM 0 HE ARG A 14 -5.259 20.846 -1.610 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.502 21.006 1.134 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.455 22.318 0.433 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -6.491 22.542 -2.517 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -7.881 23.190 -1.641 1.00 0.00 H new ATOM 195 N ARG A 15 -3.635 15.740 2.753 1.00 0.00 N ATOM 196 CA ARG A 15 -2.916 14.761 3.551 1.00 0.00 C ATOM 197 C ARG A 15 -3.278 13.343 3.104 1.00 0.00 C ATOM 198 O ARG A 15 -4.455 13.006 2.987 1.00 0.00 O ATOM 199 CB ARG A 15 -3.241 14.917 5.038 1.00 0.00 C ATOM 200 CG ARG A 15 -1.962 15.037 5.869 1.00 0.00 C ATOM 201 CD ARG A 15 -1.982 14.065 7.050 1.00 0.00 C ATOM 202 NE ARG A 15 -1.107 12.905 6.766 1.00 0.00 N ATOM 203 CZ ARG A 15 -0.803 11.957 7.662 1.00 0.00 C ATOM 204 NH1 ARG A 15 -1.300 12.024 8.904 1.00 0.00 N ATOM 205 NH2 ARG A 15 -0.001 10.941 7.315 1.00 0.00 N ATOM 0 H ARG A 15 -4.167 16.423 3.293 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.850 14.932 3.403 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.861 15.801 5.188 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.821 14.060 5.379 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.095 14.833 5.240 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.857 16.058 6.236 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.646 14.572 7.954 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.001 13.726 7.235 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.711 12.823 5.830 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.910 12.797 9.168 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.068 11.302 9.586 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.377 10.890 6.369 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.231 10.219 7.997 1.00 0.00 H new ATOM 219 N LEU A 16 -2.243 12.550 2.864 1.00 0.00 N ATOM 220 CA LEU A 16 -2.437 11.177 2.432 1.00 0.00 C ATOM 221 C LEU A 16 -3.384 10.470 3.404 1.00 0.00 C ATOM 222 O LEU A 16 -3.725 11.016 4.451 1.00 0.00 O ATOM 223 CB LEU A 16 -1.089 10.473 2.264 1.00 0.00 C ATOM 224 CG LEU A 16 -0.775 9.950 0.861 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.622 10.387 0.413 1.00 0.00 C ATOM 226 CD2 LEU A 16 -0.951 8.432 0.789 1.00 0.00 C ATOM 0 H LEU A 16 -1.268 12.833 2.961 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.909 11.149 1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.301 11.167 2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.050 9.635 2.960 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.489 10.390 0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.820 10.002 -0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.676 11.476 0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.366 9.995 1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.722 8.087 -0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.276 7.953 1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.981 8.173 1.036 1.00 0.00 H new ATOM 238 N GLU A 17 -3.781 9.265 3.021 1.00 0.00 N ATOM 239 CA GLU A 17 -4.681 8.477 3.846 1.00 0.00 C ATOM 240 C GLU A 17 -4.031 7.143 4.216 1.00 0.00 C ATOM 241 O GLU A 17 -3.000 6.774 3.657 1.00 0.00 O ATOM 242 CB GLU A 17 -6.020 8.257 3.139 1.00 0.00 C ATOM 243 CG GLU A 17 -7.091 9.204 3.685 1.00 0.00 C ATOM 244 CD GLU A 17 -7.406 8.890 5.149 1.00 0.00 C ATOM 245 OE1 GLU A 17 -7.334 7.693 5.500 1.00 0.00 O ATOM 246 OE2 GLU A 17 -7.713 9.854 5.883 1.00 0.00 O ATOM 0 H GLU A 17 -3.496 8.816 2.151 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.878 9.029 4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.900 8.417 2.068 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.341 7.224 3.273 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.749 10.235 3.596 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.998 9.116 3.087 1.00 0.00 H new ATOM 253 N PHE A 18 -4.661 6.455 5.157 1.00 0.00 N ATOM 254 CA PHE A 18 -4.157 5.169 5.609 1.00 0.00 C ATOM 255 C PHE A 18 -5.272 4.335 6.242 1.00 0.00 C ATOM 256 O PHE A 18 -5.493 3.189 5.852 1.00 0.00 O ATOM 257 CB PHE A 18 -3.088 5.454 6.666 1.00 0.00 C ATOM 258 CG PHE A 18 -1.934 4.450 6.670 1.00 0.00 C ATOM 259 CD1 PHE A 18 -2.179 3.133 6.902 1.00 0.00 C ATOM 260 CD2 PHE A 18 -0.662 4.875 6.441 1.00 0.00 C ATOM 261 CE1 PHE A 18 -1.108 2.201 6.905 1.00 0.00 C ATOM 262 CE2 PHE A 18 0.409 3.943 6.445 1.00 0.00 C ATOM 263 CZ PHE A 18 0.164 2.626 6.677 1.00 0.00 C ATOM 0 H PHE A 18 -5.516 6.764 5.619 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.756 4.609 4.764 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.686 6.454 6.501 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.557 5.457 7.650 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.189 2.796 7.084 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.467 5.921 6.256 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.303 1.155 7.088 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.419 4.280 6.264 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.979 1.917 6.680 1.00 0.00 H new ATOM 273 N ASN A 19 -5.947 4.941 7.208 1.00 0.00 N ATOM 274 CA ASN A 19 -7.034 4.268 7.898 1.00 0.00 C ATOM 275 C ASN A 19 -7.906 3.537 6.876 1.00 0.00 C ATOM 276 O ASN A 19 -8.303 2.394 7.097 1.00 0.00 O ATOM 277 CB ASN A 19 -7.917 5.270 8.644 1.00 0.00 C ATOM 278 CG ASN A 19 -8.893 4.552 9.577 1.00 0.00 C ATOM 279 OD1 ASN A 19 -8.567 3.569 10.221 1.00 0.00 O ATOM 280 ND2 ASN A 19 -10.106 5.097 9.614 1.00 0.00 N ATOM 0 H ASN A 19 -5.762 5.891 7.529 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.599 3.570 8.613 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -7.292 5.952 9.221 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.472 5.875 7.927 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.830 4.691 10.207 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.312 5.921 9.049 1.00 0.00 H new ATOM 287 N GLN A 20 -8.180 4.227 5.778 1.00 0.00 N ATOM 288 CA GLN A 20 -8.998 3.658 4.721 1.00 0.00 C ATOM 289 C GLN A 20 -8.271 2.485 4.060 1.00 0.00 C ATOM 290 O GLN A 20 -8.849 1.415 3.878 1.00 0.00 O ATOM 291 CB GLN A 20 -9.377 4.721 3.689 1.00 0.00 C ATOM 292 CG GLN A 20 -10.580 4.272 2.855 1.00 0.00 C ATOM 293 CD GLN A 20 -11.112 5.422 1.997 1.00 0.00 C ATOM 294 OE1 GLN A 20 -11.233 6.554 2.435 1.00 0.00 O ATOM 295 NE2 GLN A 20 -11.421 5.069 0.752 1.00 0.00 N ATOM 0 H GLN A 20 -7.850 5.175 5.598 1.00 0.00 H new ATOM 0 HA GLN A 20 -9.921 3.284 5.164 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.610 5.658 4.195 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -8.528 4.916 3.034 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.292 3.438 2.214 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.369 3.910 3.514 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.295 4.103 0.450 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.784 5.764 0.100 1.00 0.00 H new ATOM 304 N ALA A 21 -7.014 2.727 3.718 1.00 0.00 N ATOM 305 CA ALA A 21 -6.202 1.705 3.081 1.00 0.00 C ATOM 306 C ALA A 21 -6.359 0.387 3.841 1.00 0.00 C ATOM 307 O ALA A 21 -6.679 -0.642 3.248 1.00 0.00 O ATOM 308 CB ALA A 21 -4.747 2.173 3.020 1.00 0.00 C ATOM 0 H ALA A 21 -6.538 3.616 3.870 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.533 1.536 2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.138 1.406 2.542 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.686 3.096 2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.379 2.351 4.031 1.00 0.00 H new ATOM 314 N MET A 22 -6.128 0.461 5.144 1.00 0.00 N ATOM 315 CA MET A 22 -6.240 -0.713 5.992 1.00 0.00 C ATOM 316 C MET A 22 -7.549 -1.459 5.726 1.00 0.00 C ATOM 317 O MET A 22 -7.554 -2.680 5.580 1.00 0.00 O ATOM 318 CB MET A 22 -6.183 -0.290 7.461 1.00 0.00 C ATOM 319 CG MET A 22 -4.850 0.389 7.784 1.00 0.00 C ATOM 320 SD MET A 22 -3.496 -0.701 7.381 1.00 0.00 S ATOM 321 CE MET A 22 -3.608 -1.851 8.742 1.00 0.00 C ATOM 0 H MET A 22 -5.864 1.316 5.633 1.00 0.00 H new ATOM 0 HA MET A 22 -5.410 -1.382 5.765 1.00 0.00 H new ATOM 0 HB2 MET A 22 -7.005 0.392 7.679 1.00 0.00 H new ATOM 0 HB3 MET A 22 -6.315 -1.163 8.100 1.00 0.00 H new ATOM 0 HG2 MET A 22 -4.760 1.318 7.221 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.813 0.652 8.841 1.00 0.00 H new ATOM 0 HE1 MET A 22 -2.874 -2.646 8.608 1.00 0.00 H new ATOM 0 HE2 MET A 22 -3.410 -1.328 9.678 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.609 -2.282 8.772 1.00 0.00 H new ATOM 331 N ASP A 23 -8.629 -0.693 5.672 1.00 0.00 N ATOM 332 CA ASP A 23 -9.941 -1.265 5.426 1.00 0.00 C ATOM 333 C ASP A 23 -9.880 -2.157 4.184 1.00 0.00 C ATOM 334 O ASP A 23 -10.350 -3.293 4.208 1.00 0.00 O ATOM 335 CB ASP A 23 -10.981 -0.171 5.172 1.00 0.00 C ATOM 336 CG ASP A 23 -12.321 -0.376 5.880 1.00 0.00 C ATOM 337 OD1 ASP A 23 -12.406 -1.343 6.667 1.00 0.00 O ATOM 338 OD2 ASP A 23 -13.232 0.440 5.618 1.00 0.00 O ATOM 0 H ASP A 23 -8.622 0.320 5.795 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.229 -1.838 6.307 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.564 0.786 5.486 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.161 -0.104 4.099 1.00 0.00 H new ATOM 343 N ASP A 24 -9.296 -1.608 3.129 1.00 0.00 N ATOM 344 CA ASP A 24 -9.167 -2.339 1.881 1.00 0.00 C ATOM 345 C ASP A 24 -8.529 -3.702 2.157 1.00 0.00 C ATOM 346 O ASP A 24 -9.094 -4.738 1.809 1.00 0.00 O ATOM 347 CB ASP A 24 -8.271 -1.589 0.893 1.00 0.00 C ATOM 348 CG ASP A 24 -8.188 -2.209 -0.504 1.00 0.00 C ATOM 349 OD1 ASP A 24 -9.160 -2.021 -1.267 1.00 0.00 O ATOM 350 OD2 ASP A 24 -7.154 -2.856 -0.777 1.00 0.00 O ATOM 0 H ASP A 24 -8.907 -0.665 3.113 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.163 -2.451 1.452 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.636 -0.566 0.799 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.265 -1.532 1.309 1.00 0.00 H new ATOM 355 N PHE A 25 -7.360 -3.658 2.778 1.00 0.00 N ATOM 356 CA PHE A 25 -6.639 -4.876 3.105 1.00 0.00 C ATOM 357 C PHE A 25 -7.457 -5.762 4.047 1.00 0.00 C ATOM 358 O PHE A 25 -7.471 -6.983 3.901 1.00 0.00 O ATOM 359 CB PHE A 25 -5.348 -4.457 3.812 1.00 0.00 C ATOM 360 CG PHE A 25 -4.352 -3.728 2.907 1.00 0.00 C ATOM 361 CD1 PHE A 25 -3.934 -4.307 1.750 1.00 0.00 C ATOM 362 CD2 PHE A 25 -3.886 -2.500 3.261 1.00 0.00 C ATOM 363 CE1 PHE A 25 -3.010 -3.630 0.911 1.00 0.00 C ATOM 364 CE2 PHE A 25 -2.962 -1.823 2.422 1.00 0.00 C ATOM 365 CZ PHE A 25 -2.543 -2.402 1.265 1.00 0.00 C ATOM 0 H PHE A 25 -6.894 -2.797 3.064 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.439 -5.444 2.197 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.600 -3.811 4.653 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.867 -5.344 4.224 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.305 -5.282 1.469 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.219 -2.040 4.180 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.678 -4.090 -0.008 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.592 -0.848 2.703 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.840 -1.887 0.627 1.00 0.00 H new ATOM 375 N LYS A 26 -8.120 -5.112 4.992 1.00 0.00 N ATOM 376 CA LYS A 26 -8.939 -5.825 5.957 1.00 0.00 C ATOM 377 C LYS A 26 -9.966 -6.681 5.214 1.00 0.00 C ATOM 378 O LYS A 26 -10.273 -7.795 5.637 1.00 0.00 O ATOM 379 CB LYS A 26 -9.561 -4.848 6.958 1.00 0.00 C ATOM 380 CG LYS A 26 -8.625 -4.609 8.144 1.00 0.00 C ATOM 381 CD LYS A 26 -8.308 -5.920 8.866 1.00 0.00 C ATOM 382 CE LYS A 26 -8.068 -5.682 10.358 1.00 0.00 C ATOM 383 NZ LYS A 26 -9.095 -6.376 11.166 1.00 0.00 N ATOM 0 H LYS A 26 -8.107 -4.099 5.110 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.326 -6.504 6.549 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.775 -3.901 6.462 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.512 -5.243 7.315 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.700 -4.149 7.795 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.086 -3.909 8.840 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.133 -6.620 8.734 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.425 -6.380 8.421 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.076 -6.040 10.634 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.091 -4.613 10.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.917 -6.204 12.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.037 -6.015 10.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.054 -7.398 10.977 1.00 0.00 H new ATOM 397 N THR A 27 -10.469 -6.129 4.120 1.00 0.00 N ATOM 398 CA THR A 27 -11.456 -6.829 3.315 1.00 0.00 C ATOM 399 C THR A 27 -10.767 -7.790 2.344 1.00 0.00 C ATOM 400 O THR A 27 -11.269 -8.883 2.085 1.00 0.00 O ATOM 401 CB THR A 27 -12.325 -5.781 2.617 1.00 0.00 C ATOM 402 OG1 THR A 27 -13.579 -5.867 3.290 1.00 0.00 O ATOM 403 CG2 THR A 27 -12.652 -6.159 1.171 1.00 0.00 C ATOM 0 H THR A 27 -10.212 -5.205 3.772 1.00 0.00 H new ATOM 0 HA THR A 27 -12.103 -7.450 3.934 1.00 0.00 H new ATOM 0 HB THR A 27 -11.815 -4.818 2.633 1.00 0.00 H new ATOM 0 HG1 THR A 27 -14.204 -5.219 2.902 1.00 0.00 H new ATOM 0 HG21 THR A 27 -13.271 -5.381 0.723 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.727 -6.259 0.603 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.192 -7.106 1.156 1.00 0.00 H new ATOM 411 N MET A 28 -9.626 -7.348 1.833 1.00 0.00 N ATOM 412 CA MET A 28 -8.863 -8.156 0.897 1.00 0.00 C ATOM 413 C MET A 28 -8.350 -9.433 1.565 1.00 0.00 C ATOM 414 O MET A 28 -8.497 -10.525 1.020 1.00 0.00 O ATOM 415 CB MET A 28 -7.679 -7.344 0.370 1.00 0.00 C ATOM 416 CG MET A 28 -8.157 -6.093 -0.369 1.00 0.00 C ATOM 417 SD MET A 28 -7.717 -6.198 -2.096 1.00 0.00 S ATOM 418 CE MET A 28 -5.956 -6.451 -1.953 1.00 0.00 C ATOM 0 H MET A 28 -9.212 -6.441 2.050 1.00 0.00 H new ATOM 0 HA MET A 28 -9.517 -8.439 0.072 1.00 0.00 H new ATOM 0 HB2 MET A 28 -7.033 -7.056 1.199 1.00 0.00 H new ATOM 0 HB3 MET A 28 -7.081 -7.960 -0.301 1.00 0.00 H new ATOM 0 HG2 MET A 28 -9.237 -5.990 -0.266 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.709 -5.204 0.076 1.00 0.00 H new ATOM 0 HE1 MET A 28 -5.436 -5.783 -2.640 1.00 0.00 H new ATOM 0 HE2 MET A 28 -5.640 -6.239 -0.932 1.00 0.00 H new ATOM 0 HE3 MET A 28 -5.716 -7.485 -2.200 1.00 0.00 H new ATOM 428 N PHE A 29 -7.760 -9.253 2.738 1.00 0.00 N ATOM 429 CA PHE A 29 -7.224 -10.377 3.487 1.00 0.00 C ATOM 430 C PHE A 29 -7.660 -10.317 4.952 1.00 0.00 C ATOM 431 O PHE A 29 -7.091 -9.565 5.742 1.00 0.00 O ATOM 432 CB PHE A 29 -5.699 -10.276 3.416 1.00 0.00 C ATOM 433 CG PHE A 29 -5.147 -10.193 1.991 1.00 0.00 C ATOM 434 CD1 PHE A 29 -5.097 -8.995 1.349 1.00 0.00 C ATOM 435 CD2 PHE A 29 -4.705 -11.318 1.367 1.00 0.00 C ATOM 436 CE1 PHE A 29 -4.584 -8.919 0.027 1.00 0.00 C ATOM 437 CE2 PHE A 29 -4.193 -11.241 0.045 1.00 0.00 C ATOM 438 CZ PHE A 29 -4.143 -10.043 -0.597 1.00 0.00 C ATOM 0 H PHE A 29 -7.641 -8.345 3.188 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.589 -11.313 3.065 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.377 -9.395 3.971 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.264 -11.143 3.913 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.447 -8.102 1.845 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.744 -12.269 1.877 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.544 -7.968 -0.483 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.843 -12.134 -0.451 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.753 -9.985 -1.602 1.00 0.00 H new ATOM 448 N PRO A 30 -8.691 -11.140 5.279 1.00 0.00 N ATOM 449 CA PRO A 30 -9.210 -11.188 6.636 1.00 0.00 C ATOM 450 C PRO A 30 -8.260 -11.954 7.559 1.00 0.00 C ATOM 451 O PRO A 30 -8.104 -11.600 8.727 1.00 0.00 O ATOM 452 CB PRO A 30 -10.575 -11.844 6.512 1.00 0.00 C ATOM 453 CG PRO A 30 -10.575 -12.557 5.170 1.00 0.00 C ATOM 454 CD PRO A 30 -9.389 -12.044 4.370 1.00 0.00 C ATOM 0 HA PRO A 30 -9.297 -10.200 7.088 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.746 -12.547 7.327 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.371 -11.101 6.559 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.503 -13.635 5.311 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -11.506 -12.367 4.637 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.743 -12.862 4.052 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -9.714 -11.525 3.468 1.00 0.00 H new ATOM 462 N ASN A 31 -7.650 -12.989 7.001 1.00 0.00 N ATOM 463 CA ASN A 31 -6.720 -13.808 7.759 1.00 0.00 C ATOM 464 C ASN A 31 -5.522 -12.955 8.179 1.00 0.00 C ATOM 465 O ASN A 31 -4.833 -13.279 9.146 1.00 0.00 O ATOM 466 CB ASN A 31 -6.199 -14.974 6.917 1.00 0.00 C ATOM 467 CG ASN A 31 -7.171 -16.155 6.953 1.00 0.00 C ATOM 468 OD1 ASN A 31 -7.908 -16.415 6.015 1.00 0.00 O ATOM 469 ND2 ASN A 31 -7.133 -16.853 8.084 1.00 0.00 N ATOM 0 H ASN A 31 -7.782 -13.279 6.032 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.247 -14.200 8.629 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.056 -14.648 5.887 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.224 -15.289 7.290 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.744 -17.660 8.206 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.492 -16.581 8.830 1.00 0.00 H new ATOM 476 N MET A 32 -5.309 -11.882 7.432 1.00 0.00 N ATOM 477 CA MET A 32 -4.205 -10.980 7.715 1.00 0.00 C ATOM 478 C MET A 32 -4.435 -10.227 9.027 1.00 0.00 C ATOM 479 O MET A 32 -5.555 -10.185 9.535 1.00 0.00 O ATOM 480 CB MET A 32 -4.059 -9.977 6.569 1.00 0.00 C ATOM 481 CG MET A 32 -2.825 -10.290 5.720 1.00 0.00 C ATOM 482 SD MET A 32 -2.934 -11.950 5.073 1.00 0.00 S ATOM 483 CE MET A 32 -1.367 -12.056 4.226 1.00 0.00 C ATOM 0 H MET A 32 -5.882 -11.617 6.631 1.00 0.00 H new ATOM 0 HA MET A 32 -3.294 -11.570 7.812 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.951 -10.002 5.943 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.981 -8.967 6.972 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.747 -9.576 4.900 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.923 -10.184 6.322 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.350 -12.950 3.603 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.232 -11.175 3.599 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.561 -12.108 4.958 1.00 0.00 H new ATOM 493 N ASP A 33 -3.357 -9.650 9.538 1.00 0.00 N ATOM 494 CA ASP A 33 -3.427 -8.901 10.781 1.00 0.00 C ATOM 495 C ASP A 33 -3.055 -7.441 10.513 1.00 0.00 C ATOM 496 O ASP A 33 -2.180 -7.160 9.695 1.00 0.00 O ATOM 497 CB ASP A 33 -2.446 -9.457 11.815 1.00 0.00 C ATOM 498 CG ASP A 33 -3.078 -9.882 13.142 1.00 0.00 C ATOM 499 OD1 ASP A 33 -4.294 -9.639 13.295 1.00 0.00 O ATOM 500 OD2 ASP A 33 -2.331 -10.442 13.973 1.00 0.00 O ATOM 0 H ASP A 33 -2.430 -9.686 9.114 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.443 -8.983 11.168 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.933 -10.316 11.382 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.687 -8.701 12.017 1.00 0.00 H new ATOM 505 N TYR A 34 -3.738 -6.551 11.217 1.00 0.00 N ATOM 506 CA TYR A 34 -3.490 -5.127 11.066 1.00 0.00 C ATOM 507 C TYR A 34 -2.000 -4.812 11.212 1.00 0.00 C ATOM 508 O TYR A 34 -1.502 -3.858 10.614 1.00 0.00 O ATOM 509 CB TYR A 34 -4.257 -4.442 12.198 1.00 0.00 C ATOM 510 CG TYR A 34 -4.536 -2.958 11.953 1.00 0.00 C ATOM 511 CD1 TYR A 34 -5.502 -2.579 11.043 1.00 0.00 C ATOM 512 CD2 TYR A 34 -3.822 -1.999 12.641 1.00 0.00 C ATOM 513 CE1 TYR A 34 -5.765 -1.182 10.811 1.00 0.00 C ATOM 514 CE2 TYR A 34 -4.085 -0.602 12.409 1.00 0.00 C ATOM 515 CZ TYR A 34 -5.043 -0.263 11.506 1.00 0.00 C ATOM 516 OH TYR A 34 -5.291 1.056 11.288 1.00 0.00 O ATOM 0 H TYR A 34 -4.463 -6.788 11.894 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.806 -4.785 10.081 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.205 -4.960 12.346 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -3.689 -4.546 13.123 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.061 -3.330 10.505 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.066 -2.295 13.353 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.518 -0.872 10.102 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.533 0.159 12.941 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.702 1.597 11.854 1.00 0.00 H new ATOM 526 N ASP A 35 -1.329 -5.630 12.009 1.00 0.00 N ATOM 527 CA ASP A 35 0.094 -5.450 12.241 1.00 0.00 C ATOM 528 C ASP A 35 0.873 -5.972 11.033 1.00 0.00 C ATOM 529 O ASP A 35 1.903 -5.410 10.665 1.00 0.00 O ATOM 530 CB ASP A 35 0.554 -6.232 13.474 1.00 0.00 C ATOM 531 CG ASP A 35 0.831 -5.379 14.714 1.00 0.00 C ATOM 532 OD1 ASP A 35 0.857 -4.139 14.556 1.00 0.00 O ATOM 533 OD2 ASP A 35 1.011 -5.987 15.791 1.00 0.00 O ATOM 0 H ASP A 35 -1.745 -6.420 12.503 1.00 0.00 H new ATOM 0 HA ASP A 35 0.279 -4.387 12.398 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.208 -6.971 13.722 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.460 -6.782 13.220 1.00 0.00 H new ATOM 538 N ILE A 36 0.351 -7.041 10.448 1.00 0.00 N ATOM 539 CA ILE A 36 0.985 -7.644 9.289 1.00 0.00 C ATOM 540 C ILE A 36 0.788 -6.735 8.074 1.00 0.00 C ATOM 541 O ILE A 36 1.749 -6.399 7.384 1.00 0.00 O ATOM 542 CB ILE A 36 0.472 -9.070 9.079 1.00 0.00 C ATOM 543 CG1 ILE A 36 0.687 -9.920 10.333 1.00 0.00 C ATOM 544 CG2 ILE A 36 1.107 -9.705 7.841 1.00 0.00 C ATOM 545 CD1 ILE A 36 2.029 -9.596 10.992 1.00 0.00 C ATOM 0 H ILE A 36 -0.504 -7.504 10.756 1.00 0.00 H new ATOM 0 HA ILE A 36 2.059 -7.736 9.448 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.602 -9.023 8.901 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.122 -9.741 11.041 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.653 -10.977 10.070 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.725 -10.718 7.715 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.860 -9.112 6.961 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.190 -9.738 7.964 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.157 -10.214 11.881 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.838 -9.799 10.290 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.050 -8.544 11.276 1.00 0.00 H new ATOM 557 N ILE A 37 -0.464 -6.363 7.850 1.00 0.00 N ATOM 558 CA ILE A 37 -0.799 -5.500 6.731 1.00 0.00 C ATOM 559 C ILE A 37 0.123 -4.279 6.740 1.00 0.00 C ATOM 560 O ILE A 37 0.804 -4.003 5.754 1.00 0.00 O ATOM 561 CB ILE A 37 -2.287 -5.146 6.754 1.00 0.00 C ATOM 562 CG1 ILE A 37 -3.145 -6.358 6.384 1.00 0.00 C ATOM 563 CG2 ILE A 37 -2.579 -3.942 5.856 1.00 0.00 C ATOM 564 CD1 ILE A 37 -4.335 -6.499 7.334 1.00 0.00 C ATOM 0 H ILE A 37 -1.258 -6.644 8.425 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.633 -6.019 5.787 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.554 -4.861 7.772 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.503 -6.255 5.360 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.538 -7.262 6.420 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.644 -3.712 5.891 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.010 -3.081 6.206 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.291 -4.175 4.831 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.928 -7.368 7.048 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.973 -6.626 8.354 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.954 -5.603 7.278 1.00 0.00 H new ATOM 576 N GLU A 38 0.115 -3.579 7.866 1.00 0.00 N ATOM 577 CA GLU A 38 0.942 -2.394 8.016 1.00 0.00 C ATOM 578 C GLU A 38 2.420 -2.754 7.854 1.00 0.00 C ATOM 579 O GLU A 38 3.164 -2.048 7.175 1.00 0.00 O ATOM 580 CB GLU A 38 0.688 -1.716 9.364 1.00 0.00 C ATOM 581 CG GLU A 38 -0.715 -1.107 9.416 1.00 0.00 C ATOM 582 CD GLU A 38 -0.679 0.301 10.013 1.00 0.00 C ATOM 583 OE1 GLU A 38 0.106 0.494 10.967 1.00 0.00 O ATOM 584 OE2 GLU A 38 -1.438 1.154 9.503 1.00 0.00 O ATOM 0 H GLU A 38 -0.451 -3.810 8.682 1.00 0.00 H new ATOM 0 HA GLU A 38 0.673 -1.685 7.233 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.803 -2.443 10.168 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.433 -0.937 9.530 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.137 -1.069 8.412 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.369 -1.742 10.013 1.00 0.00 H new ATOM 591 N CYS A 39 2.802 -3.853 8.489 1.00 0.00 N ATOM 592 CA CYS A 39 4.178 -4.315 8.423 1.00 0.00 C ATOM 593 C CYS A 39 4.646 -4.224 6.969 1.00 0.00 C ATOM 594 O CYS A 39 5.693 -3.644 6.686 1.00 0.00 O ATOM 595 CB CYS A 39 4.326 -5.732 8.982 1.00 0.00 C ATOM 596 SG CYS A 39 4.977 -5.665 10.691 1.00 0.00 S ATOM 0 H CYS A 39 2.183 -4.436 9.051 1.00 0.00 H new ATOM 0 HA CYS A 39 4.808 -3.681 9.047 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.361 -6.239 8.971 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.998 -6.313 8.350 1.00 0.00 H new ATOM 0 HG CYS A 39 3.989 -5.542 11.527 1.00 0.00 H new ATOM 602 N VAL A 40 3.848 -4.806 6.086 1.00 0.00 N ATOM 603 CA VAL A 40 4.168 -4.797 4.669 1.00 0.00 C ATOM 604 C VAL A 40 4.203 -3.352 4.167 1.00 0.00 C ATOM 605 O VAL A 40 5.154 -2.946 3.501 1.00 0.00 O ATOM 606 CB VAL A 40 3.174 -5.672 3.903 1.00 0.00 C ATOM 607 CG1 VAL A 40 3.629 -5.883 2.457 1.00 0.00 C ATOM 608 CG2 VAL A 40 2.962 -7.011 4.612 1.00 0.00 C ATOM 0 H VAL A 40 2.981 -5.287 6.325 1.00 0.00 H new ATOM 0 HA VAL A 40 5.156 -5.224 4.498 1.00 0.00 H new ATOM 0 HB VAL A 40 2.217 -5.150 3.880 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.905 -6.508 1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.704 -4.919 1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.603 -6.373 2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.251 -7.614 4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.912 -7.541 4.681 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.571 -6.834 5.614 1.00 0.00 H new ATOM 618 N LEU A 41 3.155 -2.616 4.506 1.00 0.00 N ATOM 619 CA LEU A 41 3.054 -1.225 4.098 1.00 0.00 C ATOM 620 C LEU A 41 4.390 -0.524 4.356 1.00 0.00 C ATOM 621 O LEU A 41 4.946 0.107 3.459 1.00 0.00 O ATOM 622 CB LEU A 41 1.864 -0.551 4.783 1.00 0.00 C ATOM 623 CG LEU A 41 0.484 -0.887 4.213 1.00 0.00 C ATOM 624 CD1 LEU A 41 -0.622 -0.195 5.012 1.00 0.00 C ATOM 625 CD2 LEU A 41 0.409 -0.552 2.722 1.00 0.00 C ATOM 0 H LEU A 41 2.368 -2.957 5.059 1.00 0.00 H new ATOM 0 HA LEU A 41 2.858 -1.155 3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.876 -0.823 5.838 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.004 0.529 4.731 1.00 0.00 H new ATOM 0 HG LEU A 41 0.328 -1.961 4.309 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.592 -0.450 4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.583 -0.526 6.050 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.480 0.885 4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.582 -0.801 2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.596 0.512 2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.160 -1.129 2.181 1.00 0.00 H new ATOM 637 N ARG A 42 4.865 -0.660 5.585 1.00 0.00 N ATOM 638 CA ARG A 42 6.124 -0.047 5.972 1.00 0.00 C ATOM 639 C ARG A 42 7.297 -0.805 5.346 1.00 0.00 C ATOM 640 O ARG A 42 8.208 -0.195 4.788 1.00 0.00 O ATOM 641 CB ARG A 42 6.287 -0.036 7.493 1.00 0.00 C ATOM 642 CG ARG A 42 5.031 0.511 8.175 1.00 0.00 C ATOM 643 CD ARG A 42 5.397 1.430 9.342 1.00 0.00 C ATOM 644 NE ARG A 42 4.194 1.722 10.153 1.00 0.00 N ATOM 645 CZ ARG A 42 3.674 0.879 11.055 1.00 0.00 C ATOM 646 NH1 ARG A 42 4.248 -0.313 11.267 1.00 0.00 N ATOM 647 NH2 ARG A 42 2.579 1.228 11.745 1.00 0.00 N ATOM 0 H ARG A 42 4.401 -1.186 6.326 1.00 0.00 H new ATOM 0 HA ARG A 42 6.117 0.982 5.612 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.487 -1.047 7.848 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.148 0.574 7.766 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.429 1.059 7.450 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.420 -0.316 8.536 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.158 0.958 9.963 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.825 2.358 8.964 1.00 0.00 H new ATOM 0 HE ARG A 42 3.732 2.621 10.017 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.081 -0.579 10.742 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.852 -0.955 11.954 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.142 2.135 11.583 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.183 0.586 12.432 1.00 0.00 H new ATOM 661 N ALA A 43 7.237 -2.123 5.460 1.00 0.00 N ATOM 662 CA ALA A 43 8.283 -2.971 4.913 1.00 0.00 C ATOM 663 C ALA A 43 8.546 -2.573 3.459 1.00 0.00 C ATOM 664 O ALA A 43 9.695 -2.539 3.019 1.00 0.00 O ATOM 665 CB ALA A 43 7.875 -4.439 5.050 1.00 0.00 C ATOM 0 H ALA A 43 6.480 -2.625 5.923 1.00 0.00 H new ATOM 0 HA ALA A 43 9.213 -2.838 5.466 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.660 -5.075 4.640 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.727 -4.679 6.103 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.947 -4.611 4.505 1.00 0.00 H new ATOM 671 N ASN A 44 7.464 -2.282 2.753 1.00 0.00 N ATOM 672 CA ASN A 44 7.563 -1.887 1.358 1.00 0.00 C ATOM 673 C ASN A 44 7.797 -0.378 1.275 1.00 0.00 C ATOM 674 O ASN A 44 8.327 0.118 0.282 1.00 0.00 O ATOM 675 CB ASN A 44 6.273 -2.209 0.601 1.00 0.00 C ATOM 676 CG ASN A 44 6.167 -3.707 0.310 1.00 0.00 C ATOM 677 OD1 ASN A 44 6.121 -4.142 -0.829 1.00 0.00 O ATOM 678 ND2 ASN A 44 6.131 -4.469 1.399 1.00 0.00 N ATOM 0 H ASN A 44 6.513 -2.312 3.121 1.00 0.00 H new ATOM 0 HA ASN A 44 8.390 -2.437 0.910 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.413 -1.887 1.188 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.247 -1.650 -0.335 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.061 -5.483 1.310 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.174 -4.040 2.323 1.00 0.00 H new ATOM 685 N SER A 45 7.389 0.311 2.330 1.00 0.00 N ATOM 686 CA SER A 45 7.547 1.754 2.389 1.00 0.00 C ATOM 687 C SER A 45 6.395 2.438 1.650 1.00 0.00 C ATOM 688 O SER A 45 6.532 2.807 0.485 1.00 0.00 O ATOM 689 CB SER A 45 8.889 2.186 1.794 1.00 0.00 C ATOM 690 OG SER A 45 9.547 3.155 2.606 1.00 0.00 O ATOM 0 H SER A 45 6.949 -0.104 3.151 1.00 0.00 H new ATOM 0 HA SER A 45 7.529 2.057 3.436 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.532 1.313 1.678 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.728 2.597 0.798 1.00 0.00 H new ATOM 0 HG SER A 45 10.400 3.403 2.193 1.00 0.00 H new ATOM 696 N GLY A 46 5.285 2.585 2.359 1.00 0.00 N ATOM 697 CA GLY A 46 4.109 3.217 1.785 1.00 0.00 C ATOM 698 C GLY A 46 3.936 2.822 0.317 1.00 0.00 C ATOM 699 O GLY A 46 4.095 3.652 -0.576 1.00 0.00 O ATOM 0 H GLY A 46 5.175 2.277 3.325 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.223 2.927 2.350 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.198 4.300 1.866 1.00 0.00 H new ATOM 703 N ALA A 47 3.611 1.553 0.113 1.00 0.00 N ATOM 704 CA ALA A 47 3.414 1.038 -1.231 1.00 0.00 C ATOM 705 C ALA A 47 2.303 -0.014 -1.212 1.00 0.00 C ATOM 706 O ALA A 47 2.539 -1.165 -0.849 1.00 0.00 O ATOM 707 CB ALA A 47 4.735 0.480 -1.763 1.00 0.00 C ATOM 0 H ALA A 47 3.479 0.867 0.856 1.00 0.00 H new ATOM 0 HA ALA A 47 3.102 1.836 -1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.587 0.094 -2.771 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.483 1.273 -1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.078 -0.325 -1.113 1.00 0.00 H new ATOM 713 N VAL A 48 1.114 0.420 -1.605 1.00 0.00 N ATOM 714 CA VAL A 48 -0.034 -0.470 -1.638 1.00 0.00 C ATOM 715 C VAL A 48 0.150 -1.493 -2.760 1.00 0.00 C ATOM 716 O VAL A 48 0.194 -2.696 -2.508 1.00 0.00 O ATOM 717 CB VAL A 48 -1.323 0.343 -1.776 1.00 0.00 C ATOM 718 CG1 VAL A 48 -2.544 -0.574 -1.856 1.00 0.00 C ATOM 719 CG2 VAL A 48 -1.464 1.346 -0.629 1.00 0.00 C ATOM 0 H VAL A 48 0.921 1.376 -1.903 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.113 -1.024 -0.703 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.266 0.906 -2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.446 0.029 -1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.450 -1.230 -2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.607 -1.176 -0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.388 1.911 -0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.488 0.812 0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.616 2.031 -0.638 1.00 0.00 H new ATOM 729 N ASP A 49 0.254 -0.977 -3.976 1.00 0.00 N ATOM 730 CA ASP A 49 0.432 -1.831 -5.139 1.00 0.00 C ATOM 731 C ASP A 49 1.405 -2.960 -4.792 1.00 0.00 C ATOM 732 O ASP A 49 1.191 -4.109 -5.177 1.00 0.00 O ATOM 733 CB ASP A 49 1.018 -1.046 -6.314 1.00 0.00 C ATOM 734 CG ASP A 49 0.060 -0.050 -6.968 1.00 0.00 C ATOM 735 OD1 ASP A 49 -0.216 0.983 -6.320 1.00 0.00 O ATOM 736 OD2 ASP A 49 -0.376 -0.343 -8.103 1.00 0.00 O ATOM 0 H ASP A 49 0.218 0.021 -4.181 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.544 -2.226 -5.421 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.899 -0.506 -5.967 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.356 -1.753 -7.072 1.00 0.00 H new ATOM 741 N ALA A 50 2.453 -2.594 -4.069 1.00 0.00 N ATOM 742 CA ALA A 50 3.459 -3.562 -3.666 1.00 0.00 C ATOM 743 C ALA A 50 2.942 -4.359 -2.467 1.00 0.00 C ATOM 744 O ALA A 50 2.830 -5.583 -2.533 1.00 0.00 O ATOM 745 CB ALA A 50 4.772 -2.837 -3.362 1.00 0.00 C ATOM 0 H ALA A 50 2.627 -1.640 -3.752 1.00 0.00 H new ATOM 0 HA ALA A 50 3.656 -4.269 -4.472 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.527 -3.563 -3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.112 -2.310 -4.254 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.614 -2.121 -2.556 1.00 0.00 H new ATOM 751 N THR A 51 2.641 -3.634 -1.400 1.00 0.00 N ATOM 752 CA THR A 51 2.139 -4.259 -0.188 1.00 0.00 C ATOM 753 C THR A 51 1.100 -5.329 -0.531 1.00 0.00 C ATOM 754 O THR A 51 0.916 -6.284 0.222 1.00 0.00 O ATOM 755 CB THR A 51 1.597 -3.156 0.723 1.00 0.00 C ATOM 756 OG1 THR A 51 2.762 -2.457 1.153 1.00 0.00 O ATOM 757 CG2 THR A 51 0.995 -3.708 2.017 1.00 0.00 C ATOM 0 H THR A 51 2.735 -2.620 -1.349 1.00 0.00 H new ATOM 0 HA THR A 51 2.933 -4.781 0.346 1.00 0.00 H new ATOM 0 HB THR A 51 0.841 -2.582 0.187 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.094 -1.895 0.422 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.625 -2.884 2.627 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.171 -4.380 1.777 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.759 -4.254 2.570 1.00 0.00 H new ATOM 765 N ILE A 52 0.448 -5.133 -1.667 1.00 0.00 N ATOM 766 CA ILE A 52 -0.567 -6.069 -2.119 1.00 0.00 C ATOM 767 C ILE A 52 0.104 -7.375 -2.548 1.00 0.00 C ATOM 768 O ILE A 52 -0.105 -8.417 -1.930 1.00 0.00 O ATOM 769 CB ILE A 52 -1.433 -5.435 -3.210 1.00 0.00 C ATOM 770 CG1 ILE A 52 -2.346 -4.354 -2.626 1.00 0.00 C ATOM 771 CG2 ILE A 52 -2.222 -6.501 -3.972 1.00 0.00 C ATOM 772 CD1 ILE A 52 -3.016 -3.544 -3.738 1.00 0.00 C ATOM 0 H ILE A 52 0.603 -4.339 -2.289 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.249 -6.313 -1.305 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.774 -4.947 -3.928 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.108 -4.816 -1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.766 -3.689 -1.986 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.829 -6.024 -4.741 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.530 -7.202 -4.439 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.870 -7.038 -3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.659 -2.783 -3.297 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.252 -3.064 -4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.615 -4.208 -4.362 1.00 0.00 H new ATOM 784 N ASP A 53 0.897 -7.276 -3.605 1.00 0.00 N ATOM 785 CA ASP A 53 1.600 -8.436 -4.125 1.00 0.00 C ATOM 786 C ASP A 53 2.104 -9.286 -2.957 1.00 0.00 C ATOM 787 O ASP A 53 2.052 -10.514 -3.010 1.00 0.00 O ATOM 788 CB ASP A 53 2.811 -8.018 -4.961 1.00 0.00 C ATOM 789 CG ASP A 53 3.275 -9.052 -5.989 1.00 0.00 C ATOM 790 OD1 ASP A 53 2.502 -10.006 -6.223 1.00 0.00 O ATOM 791 OD2 ASP A 53 4.392 -8.864 -6.518 1.00 0.00 O ATOM 0 H ASP A 53 1.068 -6.410 -4.115 1.00 0.00 H new ATOM 0 HA ASP A 53 0.907 -8.998 -4.751 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.571 -7.092 -5.483 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.640 -7.799 -4.288 1.00 0.00 H new ATOM 796 N GLN A 54 2.581 -8.600 -1.929 1.00 0.00 N ATOM 797 CA GLN A 54 3.094 -9.277 -0.750 1.00 0.00 C ATOM 798 C GLN A 54 2.000 -10.135 -0.113 1.00 0.00 C ATOM 799 O GLN A 54 2.084 -11.362 -0.123 1.00 0.00 O ATOM 800 CB GLN A 54 3.659 -8.272 0.257 1.00 0.00 C ATOM 801 CG GLN A 54 5.129 -7.969 -0.038 1.00 0.00 C ATOM 802 CD GLN A 54 6.051 -8.838 0.820 1.00 0.00 C ATOM 803 OE1 GLN A 54 5.973 -8.858 2.037 1.00 0.00 O ATOM 804 NE2 GLN A 54 6.925 -9.554 0.119 1.00 0.00 N ATOM 0 H GLN A 54 2.623 -7.582 -1.888 1.00 0.00 H new ATOM 0 HA GLN A 54 3.910 -9.932 -1.057 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.079 -7.350 0.220 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.561 -8.670 1.267 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.336 -8.145 -1.094 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.333 -6.916 0.155 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.937 -9.490 -0.899 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.584 -10.167 0.599 1.00 0.00 H new ATOM 813 N LEU A 55 0.998 -9.456 0.427 1.00 0.00 N ATOM 814 CA LEU A 55 -0.112 -10.142 1.067 1.00 0.00 C ATOM 815 C LEU A 55 -0.631 -11.241 0.138 1.00 0.00 C ATOM 816 O LEU A 55 -0.959 -12.337 0.590 1.00 0.00 O ATOM 817 CB LEU A 55 -1.186 -9.139 1.495 1.00 0.00 C ATOM 818 CG LEU A 55 -0.715 -7.994 2.394 1.00 0.00 C ATOM 819 CD1 LEU A 55 -1.823 -6.957 2.587 1.00 0.00 C ATOM 820 CD2 LEU A 55 -0.188 -8.526 3.728 1.00 0.00 C ATOM 0 H LEU A 55 0.932 -8.438 0.434 1.00 0.00 H new ATOM 0 HA LEU A 55 0.219 -10.630 1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.632 -8.710 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.975 -9.682 2.015 1.00 0.00 H new ATOM 0 HG LEU A 55 0.115 -7.489 1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.462 -6.154 3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.109 -6.546 1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.688 -7.431 3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.140 -7.692 4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.981 -9.070 4.242 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.653 -9.196 3.546 1.00 0.00 H new ATOM 832 N LEU A 56 -0.691 -10.909 -1.143 1.00 0.00 N ATOM 833 CA LEU A 56 -1.165 -11.854 -2.140 1.00 0.00 C ATOM 834 C LEU A 56 -0.464 -13.199 -1.935 1.00 0.00 C ATOM 835 O LEU A 56 -1.107 -14.194 -1.604 1.00 0.00 O ATOM 836 CB LEU A 56 -0.994 -11.280 -3.547 1.00 0.00 C ATOM 837 CG LEU A 56 -2.126 -10.382 -4.048 1.00 0.00 C ATOM 838 CD1 LEU A 56 -1.598 -9.321 -5.015 1.00 0.00 C ATOM 839 CD2 LEU A 56 -3.252 -11.212 -4.667 1.00 0.00 C ATOM 0 H LEU A 56 -0.419 -9.998 -1.514 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.234 -12.029 -2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.066 -10.710 -3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.879 -12.110 -4.245 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.548 -9.856 -3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.424 -8.696 -5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.860 -8.701 -4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.134 -9.809 -5.872 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.044 -10.549 -5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.862 -11.784 -5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.654 -11.895 -3.919 1.00 0.00 H new ATOM 851 N GLN A 57 0.845 -13.186 -2.140 1.00 0.00 N ATOM 852 CA GLN A 57 1.639 -14.392 -1.982 1.00 0.00 C ATOM 853 C GLN A 57 1.407 -15.003 -0.599 1.00 0.00 C ATOM 854 O GLN A 57 1.100 -16.189 -0.484 1.00 0.00 O ATOM 855 CB GLN A 57 3.124 -14.104 -2.212 1.00 0.00 C ATOM 856 CG GLN A 57 3.489 -14.250 -3.690 1.00 0.00 C ATOM 857 CD GLN A 57 4.636 -13.309 -4.068 1.00 0.00 C ATOM 858 OE1 GLN A 57 4.438 -12.161 -4.429 1.00 0.00 O ATOM 859 NE2 GLN A 57 5.842 -13.859 -3.964 1.00 0.00 N ATOM 0 H GLN A 57 1.375 -12.359 -2.414 1.00 0.00 H new ATOM 0 HA GLN A 57 1.321 -15.114 -2.734 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.359 -13.095 -1.874 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.727 -14.788 -1.616 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.776 -15.281 -3.897 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.617 -14.032 -4.307 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.936 -14.827 -3.655 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.673 -13.313 -4.193 1.00 0.00 H new ATOM 868 N MET A 58 1.562 -14.166 0.417 1.00 0.00 N ATOM 869 CA MET A 58 1.372 -14.610 1.787 1.00 0.00 C ATOM 870 C MET A 58 0.163 -15.540 1.901 1.00 0.00 C ATOM 871 O MET A 58 0.129 -16.419 2.760 1.00 0.00 O ATOM 872 CB MET A 58 1.169 -13.394 2.694 1.00 0.00 C ATOM 873 CG MET A 58 2.502 -12.709 2.999 1.00 0.00 C ATOM 874 SD MET A 58 2.350 -11.704 4.467 1.00 0.00 S ATOM 875 CE MET A 58 3.685 -10.552 4.194 1.00 0.00 C ATOM 0 H MET A 58 1.817 -13.183 0.318 1.00 0.00 H new ATOM 0 HA MET A 58 2.260 -15.162 2.096 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.494 -12.686 2.213 1.00 0.00 H new ATOM 0 HB3 MET A 58 0.695 -13.705 3.625 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.281 -13.458 3.140 1.00 0.00 H new ATOM 0 HG3 MET A 58 2.804 -12.090 2.154 1.00 0.00 H new ATOM 0 HE1 MET A 58 3.733 -9.847 5.024 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.627 -11.096 4.126 1.00 0.00 H new ATOM 0 HE3 MET A 58 3.512 -10.008 3.265 1.00 0.00 H new ATOM 885 N ASN A 59 -0.802 -15.314 1.020 1.00 0.00 N ATOM 886 CA ASN A 59 -2.010 -16.121 1.011 1.00 0.00 C ATOM 887 C ASN A 59 -1.942 -17.119 -0.146 1.00 0.00 C ATOM 888 O ASN A 59 -2.516 -18.205 -0.068 1.00 0.00 O ATOM 889 CB ASN A 59 -3.252 -15.250 0.811 1.00 0.00 C ATOM 890 CG ASN A 59 -4.404 -15.726 1.699 1.00 0.00 C ATOM 891 OD1 ASN A 59 -5.173 -16.605 1.344 1.00 0.00 O ATOM 892 ND2 ASN A 59 -4.480 -15.099 2.869 1.00 0.00 N ATOM 0 H ASN A 59 -0.771 -14.584 0.308 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.080 -16.635 1.970 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.014 -14.212 1.043 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.558 -15.281 -0.235 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.215 -15.345 3.533 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.804 -14.372 3.103 1.00 0.00 H new ATOM 899 N LEU A 60 -1.237 -16.717 -1.193 1.00 0.00 N ATOM 900 CA LEU A 60 -1.087 -17.563 -2.364 1.00 0.00 C ATOM 901 C LEU A 60 -2.416 -18.261 -2.658 1.00 0.00 C ATOM 902 O LEU A 60 -2.434 -19.399 -3.124 1.00 0.00 O ATOM 903 CB LEU A 60 0.087 -18.527 -2.182 1.00 0.00 C ATOM 904 CG LEU A 60 1.212 -18.418 -3.213 1.00 0.00 C ATOM 905 CD1 LEU A 60 2.483 -19.108 -2.713 1.00 0.00 C ATOM 906 CD2 LEU A 60 0.764 -18.956 -4.573 1.00 0.00 C ATOM 0 H LEU A 60 -0.763 -15.816 -1.255 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.843 -16.961 -3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.512 -18.367 -1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.299 -19.546 -2.202 1.00 0.00 H new ATOM 0 HG LEU A 60 1.451 -17.363 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.267 -19.016 -3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.812 -18.638 -1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.277 -20.163 -2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.583 -18.867 -5.287 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.481 -20.004 -4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.091 -18.381 -4.928 1.00 0.00 H new ATOM 918 N GLU A 61 -3.497 -17.549 -2.373 1.00 0.00 N ATOM 919 CA GLU A 61 -4.828 -18.086 -2.601 1.00 0.00 C ATOM 920 C GLU A 61 -4.985 -18.513 -4.061 1.00 0.00 C ATOM 921 O GLU A 61 -5.404 -19.635 -4.342 1.00 0.00 O ATOM 922 CB GLU A 61 -5.903 -17.071 -2.208 1.00 0.00 C ATOM 923 CG GLU A 61 -6.973 -17.719 -1.327 1.00 0.00 C ATOM 924 CD GLU A 61 -8.199 -18.112 -2.154 1.00 0.00 C ATOM 925 OE1 GLU A 61 -9.032 -17.212 -2.398 1.00 0.00 O ATOM 926 OE2 GLU A 61 -8.276 -19.304 -2.524 1.00 0.00 O ATOM 0 H GLU A 61 -3.478 -16.605 -1.986 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.957 -18.965 -1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.444 -16.238 -1.676 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.366 -16.660 -3.105 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.561 -18.602 -0.838 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.268 -17.027 -0.538 1.00 0.00 H new ATOM 933 N SER A 62 -4.641 -17.595 -4.953 1.00 0.00 N ATOM 934 CA SER A 62 -4.739 -17.863 -6.378 1.00 0.00 C ATOM 935 C SER A 62 -4.080 -16.731 -7.170 1.00 0.00 C ATOM 936 O SER A 62 -3.131 -16.962 -7.917 1.00 0.00 O ATOM 937 CB SER A 62 -6.197 -18.033 -6.808 1.00 0.00 C ATOM 938 OG SER A 62 -6.467 -19.353 -7.273 1.00 0.00 O ATOM 0 H SER A 62 -4.294 -16.665 -4.717 1.00 0.00 H new ATOM 0 HA SER A 62 -4.216 -18.796 -6.587 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.852 -17.804 -5.967 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.428 -17.317 -7.596 1.00 0.00 H new ATOM 0 HG SER A 62 -7.409 -19.421 -7.536 1.00 0.00 H new ATOM 944 N GLY A 63 -4.611 -15.532 -6.978 1.00 0.00 N ATOM 945 CA GLY A 63 -4.087 -14.364 -7.665 1.00 0.00 C ATOM 946 C GLY A 63 -5.102 -13.219 -7.652 1.00 0.00 C ATOM 947 O GLY A 63 -5.902 -13.104 -6.725 1.00 0.00 O ATOM 0 H GLY A 63 -5.398 -15.345 -6.357 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.162 -14.041 -7.187 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.839 -14.624 -8.694 1.00 0.00 H new ATOM 951 N PRO A 64 -5.034 -12.379 -8.719 1.00 0.00 N ATOM 952 CA PRO A 64 -5.937 -11.247 -8.839 1.00 0.00 C ATOM 953 C PRO A 64 -7.339 -11.705 -9.245 1.00 0.00 C ATOM 954 O PRO A 64 -7.566 -12.892 -9.474 1.00 0.00 O ATOM 955 CB PRO A 64 -5.290 -10.334 -9.868 1.00 0.00 C ATOM 956 CG PRO A 64 -4.294 -11.199 -10.624 1.00 0.00 C ATOM 957 CD PRO A 64 -4.099 -12.484 -9.836 1.00 0.00 C ATOM 0 HA PRO A 64 -6.080 -10.722 -7.895 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.036 -9.916 -10.544 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.791 -9.494 -9.386 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.663 -11.418 -11.626 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.345 -10.675 -10.741 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.311 -13.360 -10.449 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.072 -12.581 -9.485 1.00 0.00 H new ATOM 965 N SER A 65 -8.244 -10.740 -9.321 1.00 0.00 N ATOM 966 CA SER A 65 -9.618 -11.029 -9.695 1.00 0.00 C ATOM 967 C SER A 65 -10.238 -9.814 -10.388 1.00 0.00 C ATOM 968 O SER A 65 -10.715 -8.894 -9.726 1.00 0.00 O ATOM 969 CB SER A 65 -10.449 -11.425 -8.473 1.00 0.00 C ATOM 970 OG SER A 65 -10.518 -10.376 -7.511 1.00 0.00 O ATOM 0 H SER A 65 -8.052 -9.757 -9.130 1.00 0.00 H new ATOM 0 HA SER A 65 -9.615 -11.871 -10.387 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.457 -11.692 -8.791 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.015 -12.312 -8.012 1.00 0.00 H new ATOM 0 HG SER A 65 -10.592 -9.514 -7.972 1.00 0.00 H new ATOM 976 N SER A 66 -10.211 -9.851 -11.712 1.00 0.00 N ATOM 977 CA SER A 66 -10.765 -8.765 -12.502 1.00 0.00 C ATOM 978 C SER A 66 -12.012 -9.243 -13.249 1.00 0.00 C ATOM 979 O SER A 66 -11.983 -10.277 -13.915 1.00 0.00 O ATOM 980 CB SER A 66 -9.732 -8.220 -13.490 1.00 0.00 C ATOM 981 OG SER A 66 -9.067 -9.263 -14.197 1.00 0.00 O ATOM 0 H SER A 66 -9.814 -10.616 -12.258 1.00 0.00 H new ATOM 0 HA SER A 66 -11.042 -7.957 -11.825 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.225 -7.557 -14.201 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.997 -7.621 -12.952 1.00 0.00 H new ATOM 0 HG SER A 66 -9.697 -9.993 -14.373 1.00 0.00 H new ATOM 987 N GLY A 67 -13.078 -8.469 -13.112 1.00 0.00 N ATOM 988 CA GLY A 67 -14.333 -8.801 -13.765 1.00 0.00 C ATOM 989 C GLY A 67 -15.428 -7.799 -13.391 1.00 0.00 C ATOM 990 O GLY A 67 -15.629 -7.505 -12.214 1.00 0.00 O ATOM 0 H GLY A 67 -13.099 -7.613 -12.558 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.194 -8.807 -14.846 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -14.642 -9.806 -13.478 1.00 0.00 H new TER 994 GLY A 67