USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 607 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+ -113:sc= 0.0553 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00974 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 39:sc= 0.545 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -134:sc= 0.264 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 27:sc= -3.55! USER MOD Single : A 48 LYS NZ :NH3+ -150:sc= -0.138 (180deg=-0.711) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 56 THR OG1 : rot 81:sc= 0.00285 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.218 X(o=-0.22,f=0) USER MOD Single : A 61 CYS SG : rot 43:sc= 0.186 USER MOD Single : A 64 LYS NZ :NH3+ 157:sc= -0.0539 (180deg=-0.327) USER MOD Single : A 72 HIS : no HD1:sc= -2.41! X(o=-2.4!,f=-2.5) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -53:sc= 1.08 USER MOD Single : A 82 SER OG : rot -33:sc= 0.0201! USER MOD Single : A 83 SER OG : rot 180:sc= 0.00163 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.314 -17.869 -11.910 1.00 0.00 N ATOM 2 CA GLY A 1 8.376 -16.872 -11.597 1.00 0.00 C ATOM 3 C GLY A 1 8.299 -15.645 -12.482 1.00 0.00 C ATOM 4 O GLY A 1 7.632 -15.658 -13.518 1.00 0.00 O ATOM 0 H1 GLY A 1 6.653 -17.934 -11.110 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.798 -17.571 -12.762 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.749 -18.799 -12.076 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.289 -16.569 -10.553 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.354 -17.339 -11.713 1.00 0.00 H new ATOM 10 N SER A 2 8.980 -14.579 -12.075 1.00 0.00 N ATOM 11 CA SER A 2 8.985 -13.337 -12.839 1.00 0.00 C ATOM 12 C SER A 2 10.225 -12.507 -12.520 1.00 0.00 C ATOM 13 O SER A 2 10.999 -12.160 -13.412 1.00 0.00 O ATOM 14 CB SER A 2 7.720 -12.527 -12.543 1.00 0.00 C ATOM 15 OG SER A 2 6.992 -12.268 -13.730 1.00 0.00 O ATOM 0 H SER A 2 9.536 -14.550 -11.220 1.00 0.00 H new ATOM 0 HA SER A 2 9.004 -13.590 -13.899 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.092 -13.072 -11.839 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.991 -11.585 -12.066 1.00 0.00 H new ATOM 0 HG SER A 2 6.188 -11.751 -13.514 1.00 0.00 H new ATOM 21 N SER A 3 10.407 -12.193 -11.241 1.00 0.00 N ATOM 22 CA SER A 3 11.553 -11.404 -10.803 1.00 0.00 C ATOM 23 C SER A 3 12.585 -12.284 -10.104 1.00 0.00 C ATOM 24 O SER A 3 13.741 -12.353 -10.521 1.00 0.00 O ATOM 25 CB SER A 3 11.100 -10.286 -9.864 1.00 0.00 C ATOM 26 OG SER A 3 9.913 -10.646 -9.176 1.00 0.00 O ATOM 0 H SER A 3 9.776 -12.473 -10.490 1.00 0.00 H new ATOM 0 HA SER A 3 12.016 -10.963 -11.685 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.889 -10.069 -9.144 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.930 -9.373 -10.435 1.00 0.00 H new ATOM 0 HG SER A 3 9.645 -9.915 -8.581 1.00 0.00 H new ATOM 32 N GLY A 4 12.158 -12.955 -9.040 1.00 0.00 N ATOM 33 CA GLY A 4 13.058 -13.822 -8.301 1.00 0.00 C ATOM 34 C GLY A 4 13.630 -13.148 -7.069 1.00 0.00 C ATOM 35 O GLY A 4 13.943 -13.811 -6.080 1.00 0.00 O ATOM 0 H GLY A 4 11.206 -12.914 -8.676 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.525 -14.725 -8.003 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.874 -14.134 -8.953 1.00 0.00 H new ATOM 39 N SER A 5 13.768 -11.828 -7.129 1.00 0.00 N ATOM 40 CA SER A 5 14.307 -11.064 -6.010 1.00 0.00 C ATOM 41 C SER A 5 13.430 -9.854 -5.705 1.00 0.00 C ATOM 42 O SER A 5 13.378 -8.901 -6.482 1.00 0.00 O ATOM 43 CB SER A 5 15.735 -10.609 -6.317 1.00 0.00 C ATOM 44 OG SER A 5 16.401 -10.191 -5.138 1.00 0.00 O ATOM 0 H SER A 5 13.514 -11.265 -7.941 1.00 0.00 H new ATOM 0 HA SER A 5 14.320 -11.711 -5.133 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.288 -11.425 -6.781 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.713 -9.790 -7.036 1.00 0.00 H new ATOM 0 HG SER A 5 17.312 -9.907 -5.360 1.00 0.00 H new ATOM 50 N SER A 6 12.744 -9.899 -4.567 1.00 0.00 N ATOM 51 CA SER A 6 11.870 -8.805 -4.159 1.00 0.00 C ATOM 52 C SER A 6 11.568 -8.880 -2.665 1.00 0.00 C ATOM 53 O SER A 6 12.057 -9.767 -1.966 1.00 0.00 O ATOM 54 CB SER A 6 10.564 -8.844 -4.957 1.00 0.00 C ATOM 55 OG SER A 6 10.650 -8.030 -6.114 1.00 0.00 O ATOM 0 H SER A 6 12.776 -10.680 -3.912 1.00 0.00 H new ATOM 0 HA SER A 6 12.384 -7.866 -4.362 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.341 -9.871 -5.247 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.740 -8.504 -4.329 1.00 0.00 H new ATOM 0 HG SER A 6 11.544 -8.113 -6.507 1.00 0.00 H new ATOM 61 N GLY A 7 10.761 -7.940 -2.182 1.00 0.00 N ATOM 62 CA GLY A 7 10.408 -7.917 -0.775 1.00 0.00 C ATOM 63 C GLY A 7 10.540 -6.535 -0.166 1.00 0.00 C ATOM 64 O GLY A 7 11.551 -5.858 -0.358 1.00 0.00 O ATOM 0 H GLY A 7 10.346 -7.194 -2.740 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.383 -8.267 -0.655 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.048 -8.613 -0.232 1.00 0.00 H new ATOM 68 N LEU A 8 9.516 -6.114 0.570 1.00 0.00 N ATOM 69 CA LEU A 8 9.521 -4.804 1.209 1.00 0.00 C ATOM 70 C LEU A 8 9.456 -4.938 2.727 1.00 0.00 C ATOM 71 O LEU A 8 9.021 -5.964 3.251 1.00 0.00 O ATOM 72 CB LEU A 8 8.343 -3.964 0.710 1.00 0.00 C ATOM 73 CG LEU A 8 8.231 -3.845 -0.811 1.00 0.00 C ATOM 74 CD1 LEU A 8 6.913 -3.193 -1.199 1.00 0.00 C ATOM 75 CD2 LEU A 8 9.403 -3.053 -1.370 1.00 0.00 C ATOM 0 H LEU A 8 8.672 -6.662 0.738 1.00 0.00 H new ATOM 0 HA LEU A 8 10.453 -4.304 0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.419 -4.397 1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.426 -2.963 1.132 1.00 0.00 H new ATOM 0 HG LEU A 8 8.257 -4.847 -1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.851 -3.116 -2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.085 -3.798 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.857 -2.196 -0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.308 -2.978 -2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.407 -2.053 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.336 -3.560 -1.122 1.00 0.00 H new ATOM 87 N ARG A 9 9.890 -3.896 3.428 1.00 0.00 N ATOM 88 CA ARG A 9 9.881 -3.898 4.887 1.00 0.00 C ATOM 89 C ARG A 9 8.731 -3.053 5.425 1.00 0.00 C ATOM 90 O ARG A 9 8.046 -2.366 4.669 1.00 0.00 O ATOM 91 CB ARG A 9 11.212 -3.370 5.427 1.00 0.00 C ATOM 92 CG ARG A 9 12.429 -4.010 4.778 1.00 0.00 C ATOM 93 CD ARG A 9 13.661 -3.130 4.914 1.00 0.00 C ATOM 94 NE ARG A 9 14.843 -3.899 5.295 1.00 0.00 N ATOM 95 CZ ARG A 9 15.944 -3.359 5.814 1.00 0.00 C ATOM 96 NH1 ARG A 9 16.017 -2.049 6.016 1.00 0.00 N ATOM 97 NH2 ARG A 9 16.975 -4.131 6.133 1.00 0.00 N ATOM 0 H ARG A 9 10.252 -3.039 3.010 1.00 0.00 H new ATOM 0 HA ARG A 9 9.742 -4.926 5.223 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.254 -2.292 5.274 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.252 -3.542 6.503 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.620 -4.979 5.238 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.226 -4.193 3.723 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.849 -2.621 3.969 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.475 -2.358 5.661 1.00 0.00 H new ATOM 0 HE ARG A 9 14.824 -4.909 5.155 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.227 -1.451 5.773 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.863 -1.641 6.414 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.924 -5.138 5.981 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.818 -3.717 6.531 1.00 0.00 H new ATOM 111 N LEU A 10 8.526 -3.110 6.737 1.00 0.00 N ATOM 112 CA LEU A 10 7.458 -2.349 7.377 1.00 0.00 C ATOM 113 C LEU A 10 7.936 -0.949 7.748 1.00 0.00 C ATOM 114 O LEU A 10 9.009 -0.781 8.326 1.00 0.00 O ATOM 115 CB LEU A 10 6.963 -3.079 8.627 1.00 0.00 C ATOM 116 CG LEU A 10 6.591 -4.548 8.414 1.00 0.00 C ATOM 117 CD1 LEU A 10 6.314 -5.226 9.747 1.00 0.00 C ATOM 118 CD2 LEU A 10 5.386 -4.664 7.494 1.00 0.00 C ATOM 0 H LEU A 10 9.084 -3.674 7.377 1.00 0.00 H new ATOM 0 HA LEU A 10 6.635 -2.257 6.668 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.737 -3.023 9.392 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.092 -2.552 9.016 1.00 0.00 H new ATOM 0 HG LEU A 10 7.434 -5.052 7.941 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.051 -6.270 9.577 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.204 -5.174 10.374 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.488 -4.721 10.247 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.135 -5.715 7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.537 -4.145 7.939 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.620 -4.215 6.529 1.00 0.00 H new ATOM 130 N GLY A 11 7.131 0.053 7.411 1.00 0.00 N ATOM 131 CA GLY A 11 7.489 1.426 7.716 1.00 0.00 C ATOM 132 C GLY A 11 8.562 1.966 6.792 1.00 0.00 C ATOM 133 O GLY A 11 9.642 2.349 7.240 1.00 0.00 O ATOM 0 H GLY A 11 6.238 -0.061 6.932 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.601 2.054 7.643 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.838 1.486 8.747 1.00 0.00 H new ATOM 137 N ASP A 12 8.264 1.995 5.497 1.00 0.00 N ATOM 138 CA ASP A 12 9.212 2.493 4.506 1.00 0.00 C ATOM 139 C ASP A 12 8.495 3.278 3.413 1.00 0.00 C ATOM 140 O ASP A 12 7.515 2.806 2.836 1.00 0.00 O ATOM 141 CB ASP A 12 9.991 1.331 3.887 1.00 0.00 C ATOM 142 CG ASP A 12 10.949 0.688 4.872 1.00 0.00 C ATOM 143 OD1 ASP A 12 10.506 -0.186 5.647 1.00 0.00 O ATOM 144 OD2 ASP A 12 12.142 1.057 4.867 1.00 0.00 O ATOM 0 H ASP A 12 7.375 1.680 5.109 1.00 0.00 H new ATOM 0 HA ASP A 12 9.909 3.162 5.011 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.290 0.580 3.523 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.550 1.691 3.023 1.00 0.00 H new ATOM 149 N ARG A 13 8.989 4.480 3.133 1.00 0.00 N ATOM 150 CA ARG A 13 8.396 5.331 2.108 1.00 0.00 C ATOM 151 C ARG A 13 8.583 4.725 0.721 1.00 0.00 C ATOM 152 O ARG A 13 9.699 4.666 0.204 1.00 0.00 O ATOM 153 CB ARG A 13 9.016 6.728 2.156 1.00 0.00 C ATOM 154 CG ARG A 13 8.319 7.670 3.125 1.00 0.00 C ATOM 155 CD ARG A 13 9.122 7.851 4.403 1.00 0.00 C ATOM 156 NE ARG A 13 8.409 8.660 5.388 1.00 0.00 N ATOM 157 CZ ARG A 13 8.832 8.854 6.636 1.00 0.00 C ATOM 158 NH1 ARG A 13 9.963 8.300 7.053 1.00 0.00 N ATOM 159 NH2 ARG A 13 8.123 9.605 7.467 1.00 0.00 N ATOM 0 H ARG A 13 9.799 4.886 3.602 1.00 0.00 H new ATOM 0 HA ARG A 13 7.327 5.408 2.308 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.065 6.641 2.438 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.989 7.163 1.157 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.170 8.639 2.648 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.331 7.278 3.367 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.347 6.874 4.831 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.076 8.323 4.168 1.00 0.00 H new ATOM 0 HE ARG A 13 7.535 9.103 5.103 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.513 7.723 6.417 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.283 8.452 8.010 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.253 10.034 7.151 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.447 9.754 8.423 1.00 0.00 H new ATOM 173 N VAL A 14 7.484 4.276 0.124 1.00 0.00 N ATOM 174 CA VAL A 14 7.527 3.676 -1.204 1.00 0.00 C ATOM 175 C VAL A 14 6.682 4.470 -2.194 1.00 0.00 C ATOM 176 O VAL A 14 6.022 5.441 -1.824 1.00 0.00 O ATOM 177 CB VAL A 14 7.029 2.218 -1.177 1.00 0.00 C ATOM 178 CG1 VAL A 14 7.968 1.346 -0.361 1.00 0.00 C ATOM 179 CG2 VAL A 14 5.611 2.149 -0.628 1.00 0.00 C ATOM 0 H VAL A 14 6.553 4.316 0.539 1.00 0.00 H new ATOM 0 HA VAL A 14 8.569 3.692 -1.525 1.00 0.00 H new ATOM 0 HB VAL A 14 7.018 1.839 -2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.599 0.321 -0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.964 1.370 -0.804 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.016 1.721 0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.275 1.112 -0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.594 2.548 0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.947 2.738 -1.261 1.00 0.00 H new ATOM 189 N LEU A 15 6.706 4.050 -3.454 1.00 0.00 N ATOM 190 CA LEU A 15 5.942 4.720 -4.500 1.00 0.00 C ATOM 191 C LEU A 15 4.847 3.809 -5.042 1.00 0.00 C ATOM 192 O LEU A 15 5.055 2.607 -5.216 1.00 0.00 O ATOM 193 CB LEU A 15 6.867 5.157 -5.638 1.00 0.00 C ATOM 194 CG LEU A 15 6.179 5.909 -6.779 1.00 0.00 C ATOM 195 CD1 LEU A 15 6.321 7.411 -6.591 1.00 0.00 C ATOM 196 CD2 LEU A 15 6.753 5.481 -8.123 1.00 0.00 C ATOM 0 H LEU A 15 7.247 3.248 -3.776 1.00 0.00 H new ATOM 0 HA LEU A 15 5.473 5.602 -4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.651 5.792 -5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.356 4.273 -6.048 1.00 0.00 H new ATOM 0 HG LEU A 15 5.118 5.661 -6.764 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.825 7.929 -7.412 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.862 7.705 -5.647 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.378 7.678 -6.579 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.252 6.026 -8.923 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.821 5.699 -8.149 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.598 4.411 -8.261 1.00 0.00 H new ATOM 208 N VAL A 16 3.680 4.386 -5.307 1.00 0.00 N ATOM 209 CA VAL A 16 2.553 3.624 -5.829 1.00 0.00 C ATOM 210 C VAL A 16 1.954 4.302 -7.056 1.00 0.00 C ATOM 211 O VAL A 16 1.430 5.412 -6.970 1.00 0.00 O ATOM 212 CB VAL A 16 1.453 3.447 -4.765 1.00 0.00 C ATOM 213 CG1 VAL A 16 0.372 2.502 -5.264 1.00 0.00 C ATOM 214 CG2 VAL A 16 2.051 2.943 -3.460 1.00 0.00 C ATOM 0 H VAL A 16 3.490 5.379 -5.169 1.00 0.00 H new ATOM 0 HA VAL A 16 2.937 2.643 -6.110 1.00 0.00 H new ATOM 0 HB VAL A 16 0.994 4.418 -4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.395 2.390 -4.498 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.076 2.908 -6.171 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.812 1.529 -5.482 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.260 2.824 -2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.537 1.982 -3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.785 3.662 -3.095 1.00 0.00 H new ATOM 224 N GLY A 17 2.038 3.627 -8.198 1.00 0.00 N ATOM 225 CA GLY A 17 1.501 4.181 -9.427 1.00 0.00 C ATOM 226 C GLY A 17 2.558 4.887 -10.252 1.00 0.00 C ATOM 227 O GLY A 17 2.548 4.813 -11.481 1.00 0.00 O ATOM 0 H GLY A 17 2.468 2.707 -8.294 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.056 3.381 -10.019 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.702 4.883 -9.188 1.00 0.00 H new ATOM 231 N GLY A 18 3.475 5.572 -9.576 1.00 0.00 N ATOM 232 CA GLY A 18 4.532 6.283 -10.272 1.00 0.00 C ATOM 233 C GLY A 18 4.825 7.640 -9.660 1.00 0.00 C ATOM 234 O GLY A 18 5.915 8.184 -9.840 1.00 0.00 O ATOM 0 H GLY A 18 3.505 5.647 -8.559 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.440 5.680 -10.260 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.250 6.413 -11.317 1.00 0.00 H new ATOM 238 N THR A 19 3.853 8.190 -8.939 1.00 0.00 N ATOM 239 CA THR A 19 4.019 9.494 -8.305 1.00 0.00 C ATOM 240 C THR A 19 3.525 9.472 -6.861 1.00 0.00 C ATOM 241 O THR A 19 4.185 9.997 -5.964 1.00 0.00 O ATOM 242 CB THR A 19 3.267 10.566 -9.095 1.00 0.00 C ATOM 243 OG1 THR A 19 3.272 10.265 -10.479 1.00 0.00 O ATOM 244 CG2 THR A 19 3.849 11.952 -8.926 1.00 0.00 C ATOM 0 H THR A 19 2.944 7.755 -8.779 1.00 0.00 H new ATOM 0 HA THR A 19 5.083 9.731 -8.299 1.00 0.00 H new ATOM 0 HB THR A 19 2.254 10.563 -8.693 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.785 10.961 -10.967 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.269 12.664 -9.513 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.815 12.235 -7.874 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.883 11.957 -9.269 1.00 0.00 H new ATOM 252 N LYS A 20 2.362 8.868 -6.643 1.00 0.00 N ATOM 253 CA LYS A 20 1.781 8.786 -5.306 1.00 0.00 C ATOM 254 C LYS A 20 2.739 8.105 -4.332 1.00 0.00 C ATOM 255 O LYS A 20 2.960 6.896 -4.406 1.00 0.00 O ATOM 256 CB LYS A 20 0.455 8.026 -5.348 1.00 0.00 C ATOM 257 CG LYS A 20 -0.535 8.586 -6.358 1.00 0.00 C ATOM 258 CD LYS A 20 -0.800 7.604 -7.490 1.00 0.00 C ATOM 259 CE LYS A 20 -2.284 7.503 -7.808 1.00 0.00 C ATOM 260 NZ LYS A 20 -2.864 6.213 -7.347 1.00 0.00 N ATOM 0 H LYS A 20 1.803 8.428 -7.374 1.00 0.00 H new ATOM 0 HA LYS A 20 1.600 9.802 -4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.652 6.981 -5.586 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.002 8.047 -4.357 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.473 8.824 -5.855 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.148 9.519 -6.768 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.257 7.920 -8.381 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.418 6.620 -7.216 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.814 8.329 -7.334 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.433 7.604 -8.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.877 6.184 -7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.376 5.425 -7.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.746 6.127 -6.317 1.00 0.00 H new ATOM 274 N THR A 21 3.302 8.890 -3.420 1.00 0.00 N ATOM 275 CA THR A 21 4.234 8.366 -2.428 1.00 0.00 C ATOM 276 C THR A 21 3.495 7.920 -1.171 1.00 0.00 C ATOM 277 O THR A 21 2.646 8.643 -0.649 1.00 0.00 O ATOM 278 CB THR A 21 5.280 9.423 -2.071 1.00 0.00 C ATOM 279 OG1 THR A 21 4.672 10.535 -1.438 1.00 0.00 O ATOM 280 CG2 THR A 21 6.044 9.939 -3.271 1.00 0.00 C ATOM 0 H THR A 21 3.129 9.893 -3.347 1.00 0.00 H new ATOM 0 HA THR A 21 4.736 7.500 -2.859 1.00 0.00 H new ATOM 0 HB THR A 21 5.981 8.922 -1.403 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.357 11.200 -1.216 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.769 10.685 -2.947 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.565 9.112 -3.754 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.349 10.392 -3.978 1.00 0.00 H new ATOM 288 N GLY A 22 3.823 6.726 -0.687 1.00 0.00 N ATOM 289 CA GLY A 22 3.179 6.207 0.504 1.00 0.00 C ATOM 290 C GLY A 22 4.056 5.228 1.259 1.00 0.00 C ATOM 291 O GLY A 22 4.943 4.604 0.677 1.00 0.00 O ATOM 0 H GLY A 22 4.523 6.109 -1.099 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.916 7.036 1.161 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.248 5.714 0.224 1.00 0.00 H new ATOM 295 N VAL A 23 3.808 5.093 2.558 1.00 0.00 N ATOM 296 CA VAL A 23 4.583 4.183 3.393 1.00 0.00 C ATOM 297 C VAL A 23 3.953 2.795 3.424 1.00 0.00 C ATOM 298 O VAL A 23 2.732 2.654 3.340 1.00 0.00 O ATOM 299 CB VAL A 23 4.706 4.709 4.835 1.00 0.00 C ATOM 300 CG1 VAL A 23 5.686 3.863 5.632 1.00 0.00 C ATOM 301 CG2 VAL A 23 5.127 6.171 4.837 1.00 0.00 C ATOM 0 H VAL A 23 3.077 5.602 3.055 1.00 0.00 H new ATOM 0 HA VAL A 23 5.577 4.119 2.951 1.00 0.00 H new ATOM 0 HB VAL A 23 3.729 4.636 5.312 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.759 4.251 6.648 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.336 2.831 5.662 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.667 3.900 5.158 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.209 6.525 5.865 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.092 6.272 4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.382 6.765 4.307 1.00 0.00 H new ATOM 311 N VAL A 24 4.792 1.772 3.543 1.00 0.00 N ATOM 312 CA VAL A 24 4.317 0.394 3.584 1.00 0.00 C ATOM 313 C VAL A 24 3.627 0.091 4.909 1.00 0.00 C ATOM 314 O VAL A 24 4.254 0.117 5.968 1.00 0.00 O ATOM 315 CB VAL A 24 5.470 -0.604 3.378 1.00 0.00 C ATOM 316 CG1 VAL A 24 4.932 -2.019 3.224 1.00 0.00 C ATOM 317 CG2 VAL A 24 6.308 -0.210 2.171 1.00 0.00 C ATOM 0 H VAL A 24 5.805 1.871 3.613 1.00 0.00 H new ATOM 0 HA VAL A 24 3.601 0.282 2.770 1.00 0.00 H new ATOM 0 HB VAL A 24 6.110 -0.578 4.260 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.762 -2.710 3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.380 -2.298 4.121 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.268 -2.064 2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.118 -0.927 2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.681 -0.205 1.279 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.725 0.785 2.327 1.00 0.00 H new ATOM 327 N ARG A 25 2.331 -0.197 4.843 1.00 0.00 N ATOM 328 CA ARG A 25 1.554 -0.506 6.037 1.00 0.00 C ATOM 329 C ARG A 25 1.408 -2.013 6.217 1.00 0.00 C ATOM 330 O ARG A 25 1.341 -2.511 7.340 1.00 0.00 O ATOM 331 CB ARG A 25 0.172 0.145 5.953 1.00 0.00 C ATOM 332 CG ARG A 25 0.137 1.568 6.486 1.00 0.00 C ATOM 333 CD ARG A 25 0.284 1.602 7.998 1.00 0.00 C ATOM 334 NE ARG A 25 0.550 2.951 8.493 1.00 0.00 N ATOM 335 CZ ARG A 25 1.055 3.213 9.696 1.00 0.00 C ATOM 336 NH1 ARG A 25 1.351 2.224 10.529 1.00 0.00 N ATOM 337 NH2 ARG A 25 1.266 4.468 10.067 1.00 0.00 N ATOM 0 H ARG A 25 1.797 -0.223 3.974 1.00 0.00 H new ATOM 0 HA ARG A 25 2.086 -0.105 6.900 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.157 0.147 4.914 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.541 -0.461 6.512 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.938 2.148 6.029 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.802 2.041 6.200 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.627 1.220 8.459 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.096 0.939 8.298 1.00 0.00 H new ATOM 0 HE ARG A 25 0.336 3.738 7.880 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.192 1.256 10.249 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.738 2.431 11.450 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.041 5.233 9.430 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.653 4.669 10.989 1.00 0.00 H new ATOM 351 N TYR A 26 1.358 -2.735 5.101 1.00 0.00 N ATOM 352 CA TYR A 26 1.219 -4.186 5.136 1.00 0.00 C ATOM 353 C TYR A 26 2.115 -4.844 4.092 1.00 0.00 C ATOM 354 O TYR A 26 2.392 -4.263 3.043 1.00 0.00 O ATOM 355 CB TYR A 26 -0.238 -4.584 4.897 1.00 0.00 C ATOM 356 CG TYR A 26 -0.575 -5.975 5.385 1.00 0.00 C ATOM 357 CD1 TYR A 26 -0.246 -7.095 4.632 1.00 0.00 C ATOM 358 CD2 TYR A 26 -1.222 -6.169 6.600 1.00 0.00 C ATOM 359 CE1 TYR A 26 -0.552 -8.368 5.074 1.00 0.00 C ATOM 360 CE2 TYR A 26 -1.529 -7.439 7.050 1.00 0.00 C ATOM 361 CZ TYR A 26 -1.193 -8.534 6.284 1.00 0.00 C ATOM 362 OH TYR A 26 -1.499 -9.800 6.728 1.00 0.00 O ATOM 0 H TYR A 26 1.412 -2.339 4.163 1.00 0.00 H new ATOM 0 HA TYR A 26 1.527 -4.532 6.123 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.888 -3.866 5.396 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.453 -4.521 3.830 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.258 -6.969 3.685 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.489 -5.313 7.202 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.291 -9.228 4.475 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.030 -7.573 7.997 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.948 -9.742 7.597 1.00 0.00 H new ATOM 372 N VAL A 27 2.565 -6.059 4.387 1.00 0.00 N ATOM 373 CA VAL A 27 3.430 -6.795 3.474 1.00 0.00 C ATOM 374 C VAL A 27 3.219 -8.299 3.610 1.00 0.00 C ATOM 375 O VAL A 27 3.621 -8.906 4.603 1.00 0.00 O ATOM 376 CB VAL A 27 4.915 -6.473 3.724 1.00 0.00 C ATOM 377 CG1 VAL A 27 5.786 -7.090 2.640 1.00 0.00 C ATOM 378 CG2 VAL A 27 5.130 -4.970 3.800 1.00 0.00 C ATOM 0 H VAL A 27 2.345 -6.554 5.251 1.00 0.00 H new ATOM 0 HA VAL A 27 3.163 -6.482 2.465 1.00 0.00 H new ATOM 0 HB VAL A 27 5.205 -6.907 4.681 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.832 -6.852 2.834 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.655 -8.172 2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.497 -6.689 1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.185 -4.762 3.977 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.822 -4.510 2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.537 -4.558 4.617 1.00 0.00 H new ATOM 388 N GLY A 28 2.585 -8.895 2.605 1.00 0.00 N ATOM 389 CA GLY A 28 2.331 -10.324 2.632 1.00 0.00 C ATOM 390 C GLY A 28 1.173 -10.723 1.738 1.00 0.00 C ATOM 391 O GLY A 28 0.711 -9.930 0.918 1.00 0.00 O ATOM 0 H GLY A 28 2.243 -8.414 1.773 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.229 -10.856 2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.119 -10.633 3.656 1.00 0.00 H new ATOM 395 N GLU A 29 0.703 -11.957 1.897 1.00 0.00 N ATOM 396 CA GLU A 29 -0.408 -12.460 1.099 1.00 0.00 C ATOM 397 C GLU A 29 -1.660 -11.615 1.316 1.00 0.00 C ATOM 398 O GLU A 29 -1.633 -10.622 2.042 1.00 0.00 O ATOM 399 CB GLU A 29 -0.696 -13.920 1.449 1.00 0.00 C ATOM 400 CG GLU A 29 0.079 -14.915 0.599 1.00 0.00 C ATOM 401 CD GLU A 29 -0.804 -16.000 0.016 1.00 0.00 C ATOM 402 OE1 GLU A 29 -1.126 -16.960 0.747 1.00 0.00 O ATOM 403 OE2 GLU A 29 -1.176 -15.889 -1.172 1.00 0.00 O ATOM 0 H GLU A 29 1.075 -12.626 2.571 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.126 -12.396 0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.456 -14.087 2.499 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.763 -14.109 1.332 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.577 -14.383 -0.212 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.859 -15.374 1.206 1.00 0.00 H new ATOM 410 N THR A 30 -2.757 -12.019 0.683 1.00 0.00 N ATOM 411 CA THR A 30 -4.019 -11.300 0.807 1.00 0.00 C ATOM 412 C THR A 30 -5.178 -12.269 1.017 1.00 0.00 C ATOM 413 O THR A 30 -4.997 -13.485 0.980 1.00 0.00 O ATOM 414 CB THR A 30 -4.270 -10.448 -0.437 1.00 0.00 C ATOM 415 OG1 THR A 30 -3.890 -11.148 -1.609 1.00 0.00 O ATOM 416 CG2 THR A 30 -3.521 -9.134 -0.425 1.00 0.00 C ATOM 0 H THR A 30 -2.797 -12.840 0.079 1.00 0.00 H new ATOM 0 HA THR A 30 -3.952 -10.647 1.677 1.00 0.00 H new ATOM 0 HB THR A 30 -5.339 -10.237 -0.431 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.362 -10.557 -2.186 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.744 -8.580 -1.337 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.829 -8.548 0.441 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.449 -9.326 -0.371 1.00 0.00 H new ATOM 424 N ASP A 31 -6.369 -11.720 1.238 1.00 0.00 N ATOM 425 CA ASP A 31 -7.559 -12.536 1.454 1.00 0.00 C ATOM 426 C ASP A 31 -8.628 -12.226 0.412 1.00 0.00 C ATOM 427 O ASP A 31 -9.824 -12.311 0.690 1.00 0.00 O ATOM 428 CB ASP A 31 -8.115 -12.300 2.859 1.00 0.00 C ATOM 429 CG ASP A 31 -8.702 -13.560 3.468 1.00 0.00 C ATOM 430 OD1 ASP A 31 -9.502 -14.232 2.783 1.00 0.00 O ATOM 431 OD2 ASP A 31 -8.361 -13.873 4.628 1.00 0.00 O ATOM 0 H ASP A 31 -6.535 -10.714 1.272 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.274 -13.583 1.354 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.320 -11.925 3.503 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.883 -11.528 2.818 1.00 0.00 H new ATOM 436 N PHE A 32 -8.188 -11.864 -0.789 1.00 0.00 N ATOM 437 CA PHE A 32 -9.108 -11.540 -1.874 1.00 0.00 C ATOM 438 C PHE A 32 -8.485 -11.864 -3.228 1.00 0.00 C ATOM 439 O PHE A 32 -9.116 -12.491 -4.078 1.00 0.00 O ATOM 440 CB PHE A 32 -9.496 -10.062 -1.817 1.00 0.00 C ATOM 441 CG PHE A 32 -8.316 -9.134 -1.765 1.00 0.00 C ATOM 442 CD1 PHE A 32 -7.648 -8.907 -0.573 1.00 0.00 C ATOM 443 CD2 PHE A 32 -7.877 -8.487 -2.909 1.00 0.00 C ATOM 444 CE1 PHE A 32 -6.563 -8.053 -0.522 1.00 0.00 C ATOM 445 CE2 PHE A 32 -6.792 -7.632 -2.864 1.00 0.00 C ATOM 446 CZ PHE A 32 -6.134 -7.415 -1.670 1.00 0.00 C ATOM 0 H PHE A 32 -7.201 -11.788 -1.035 1.00 0.00 H new ATOM 0 HA PHE A 32 -10.005 -12.148 -1.752 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.101 -9.819 -2.691 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.121 -9.892 -0.940 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.979 -9.403 0.327 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.388 -8.653 -3.846 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.051 -7.884 0.414 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.459 -7.134 -3.763 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.286 -6.748 -1.633 1.00 0.00 H new ATOM 456 N ALA A 33 -7.244 -11.431 -3.420 1.00 0.00 N ATOM 457 CA ALA A 33 -6.535 -11.675 -4.671 1.00 0.00 C ATOM 458 C ALA A 33 -6.024 -13.109 -4.742 1.00 0.00 C ATOM 459 O ALA A 33 -6.377 -13.946 -3.910 1.00 0.00 O ATOM 460 CB ALA A 33 -5.382 -10.694 -4.823 1.00 0.00 C ATOM 0 H ALA A 33 -6.708 -10.910 -2.726 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.236 -11.526 -5.492 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.861 -10.887 -5.761 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.769 -9.675 -4.826 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.688 -10.816 -3.991 1.00 0.00 H new ATOM 466 N LYS A 34 -5.192 -13.387 -5.739 1.00 0.00 N ATOM 467 CA LYS A 34 -4.631 -14.722 -5.918 1.00 0.00 C ATOM 468 C LYS A 34 -3.105 -14.692 -5.861 1.00 0.00 C ATOM 469 O LYS A 34 -2.441 -15.624 -6.317 1.00 0.00 O ATOM 470 CB LYS A 34 -5.088 -15.313 -7.253 1.00 0.00 C ATOM 471 CG LYS A 34 -4.969 -16.827 -7.321 1.00 0.00 C ATOM 472 CD LYS A 34 -3.836 -17.256 -8.242 1.00 0.00 C ATOM 473 CE LYS A 34 -3.099 -18.466 -7.692 1.00 0.00 C ATOM 474 NZ LYS A 34 -2.306 -19.159 -8.745 1.00 0.00 N ATOM 0 H LYS A 34 -4.891 -12.706 -6.436 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.992 -15.349 -5.103 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.126 -15.030 -7.430 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.497 -14.874 -8.057 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.797 -17.225 -6.321 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.908 -17.251 -7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.236 -17.490 -9.228 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.137 -16.430 -8.370 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.436 -18.152 -6.886 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.817 -19.163 -7.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.819 -19.978 -8.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.942 -19.482 -9.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.603 -18.502 -9.139 1.00 0.00 H new ATOM 488 N GLY A 35 -2.554 -13.619 -5.301 1.00 0.00 N ATOM 489 CA GLY A 35 -1.112 -13.494 -5.198 1.00 0.00 C ATOM 490 C GLY A 35 -0.687 -12.655 -4.010 1.00 0.00 C ATOM 491 O GLY A 35 -1.480 -12.404 -3.102 1.00 0.00 O ATOM 0 H GLY A 35 -3.081 -12.834 -4.917 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.669 -14.487 -5.115 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.723 -13.047 -6.113 1.00 0.00 H new ATOM 495 N GLU A 36 0.569 -12.219 -4.014 1.00 0.00 N ATOM 496 CA GLU A 36 1.097 -11.403 -2.928 1.00 0.00 C ATOM 497 C GLU A 36 0.906 -9.918 -3.221 1.00 0.00 C ATOM 498 O GLU A 36 1.113 -9.466 -4.347 1.00 0.00 O ATOM 499 CB GLU A 36 2.582 -11.707 -2.711 1.00 0.00 C ATOM 500 CG GLU A 36 2.842 -12.682 -1.573 1.00 0.00 C ATOM 501 CD GLU A 36 3.198 -14.071 -2.066 1.00 0.00 C ATOM 502 OE1 GLU A 36 2.379 -14.671 -2.793 1.00 0.00 O ATOM 503 OE2 GLU A 36 4.296 -14.558 -1.724 1.00 0.00 O ATOM 0 H GLU A 36 1.239 -12.417 -4.757 1.00 0.00 H new ATOM 0 HA GLU A 36 0.546 -11.648 -2.020 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.999 -12.116 -3.631 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.110 -10.775 -2.508 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.653 -12.302 -0.952 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.956 -12.741 -0.940 1.00 0.00 H new ATOM 510 N TRP A 37 0.510 -9.165 -2.199 1.00 0.00 N ATOM 511 CA TRP A 37 0.290 -7.731 -2.347 1.00 0.00 C ATOM 512 C TRP A 37 0.949 -6.961 -1.206 1.00 0.00 C ATOM 513 O TRP A 37 1.516 -7.555 -0.289 1.00 0.00 O ATOM 514 CB TRP A 37 -1.208 -7.425 -2.387 1.00 0.00 C ATOM 515 CG TRP A 37 -1.900 -8.001 -3.584 1.00 0.00 C ATOM 516 CD1 TRP A 37 -2.053 -9.324 -3.885 1.00 0.00 C ATOM 517 CD2 TRP A 37 -2.532 -7.271 -4.643 1.00 0.00 C ATOM 518 NE1 TRP A 37 -2.742 -9.462 -5.066 1.00 0.00 N ATOM 519 CE2 TRP A 37 -3.047 -8.217 -5.550 1.00 0.00 C ATOM 520 CE3 TRP A 37 -2.713 -5.912 -4.911 1.00 0.00 C ATOM 521 CZ2 TRP A 37 -3.731 -7.844 -6.706 1.00 0.00 C ATOM 522 CZ3 TRP A 37 -3.391 -5.544 -6.058 1.00 0.00 C ATOM 523 CH2 TRP A 37 -3.893 -6.506 -6.942 1.00 0.00 C ATOM 0 H TRP A 37 0.335 -9.524 -1.260 1.00 0.00 H new ATOM 0 HA TRP A 37 0.743 -7.413 -3.286 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.676 -7.816 -1.483 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.351 -6.344 -2.379 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.686 -10.142 -3.283 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.987 -10.347 -5.510 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.330 -5.162 -4.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.119 -8.584 -7.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.536 -4.496 -6.276 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.419 -6.186 -7.829 1.00 0.00 H new ATOM 534 N CYS A 38 0.870 -5.636 -1.271 1.00 0.00 N ATOM 535 CA CYS A 38 1.458 -4.785 -0.242 1.00 0.00 C ATOM 536 C CYS A 38 0.639 -3.512 -0.055 1.00 0.00 C ATOM 537 O CYS A 38 0.289 -2.839 -1.025 1.00 0.00 O ATOM 538 CB CYS A 38 2.900 -4.428 -0.609 1.00 0.00 C ATOM 539 SG CYS A 38 4.132 -5.589 0.027 1.00 0.00 S ATOM 0 H CYS A 38 0.405 -5.129 -2.024 1.00 0.00 H new ATOM 0 HA CYS A 38 1.455 -5.338 0.697 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.987 -4.381 -1.695 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.125 -3.432 -0.228 1.00 0.00 H new ATOM 0 HG CYS A 38 3.591 -6.763 0.166 1.00 0.00 H new ATOM 545 N GLY A 39 0.335 -3.189 1.198 1.00 0.00 N ATOM 546 CA GLY A 39 -0.441 -1.998 1.490 1.00 0.00 C ATOM 547 C GLY A 39 0.417 -0.750 1.569 1.00 0.00 C ATOM 548 O GLY A 39 1.491 -0.766 2.171 1.00 0.00 O ATOM 0 H GLY A 39 0.612 -3.731 2.016 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.200 -1.865 0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.967 -2.134 2.435 1.00 0.00 H new ATOM 552 N VAL A 40 -0.057 0.332 0.961 1.00 0.00 N ATOM 553 CA VAL A 40 0.674 1.594 0.967 1.00 0.00 C ATOM 554 C VAL A 40 -0.244 2.759 1.317 1.00 0.00 C ATOM 555 O VAL A 40 -1.313 2.919 0.726 1.00 0.00 O ATOM 556 CB VAL A 40 1.335 1.867 -0.397 1.00 0.00 C ATOM 557 CG1 VAL A 40 2.255 3.075 -0.314 1.00 0.00 C ATOM 558 CG2 VAL A 40 2.095 0.640 -0.878 1.00 0.00 C ATOM 0 H VAL A 40 -0.944 0.361 0.458 1.00 0.00 H new ATOM 0 HA VAL A 40 1.450 1.506 1.727 1.00 0.00 H new ATOM 0 HB VAL A 40 0.551 2.087 -1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.712 3.252 -1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.678 3.952 -0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.035 2.889 0.425 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.555 0.852 -1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.870 0.385 -0.155 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.405 -0.198 -0.981 1.00 0.00 H new ATOM 568 N GLU A 41 0.178 3.571 2.280 1.00 0.00 N ATOM 569 CA GLU A 41 -0.606 4.724 2.708 1.00 0.00 C ATOM 570 C GLU A 41 -0.062 6.011 2.099 1.00 0.00 C ATOM 571 O GLU A 41 1.060 6.422 2.393 1.00 0.00 O ATOM 572 CB GLU A 41 -0.607 4.827 4.235 1.00 0.00 C ATOM 573 CG GLU A 41 -1.634 5.807 4.777 1.00 0.00 C ATOM 574 CD GLU A 41 -1.097 6.638 5.926 1.00 0.00 C ATOM 575 OE1 GLU A 41 0.123 6.902 5.948 1.00 0.00 O ATOM 576 OE2 GLU A 41 -1.897 7.025 6.804 1.00 0.00 O ATOM 0 H GLU A 41 1.059 3.452 2.779 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.629 4.585 2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.800 3.841 4.657 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.385 5.130 4.571 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.957 6.470 3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.514 5.258 5.111 1.00 0.00 H new ATOM 583 N LEU A 42 -0.865 6.643 1.249 1.00 0.00 N ATOM 584 CA LEU A 42 -0.464 7.886 0.599 1.00 0.00 C ATOM 585 C LEU A 42 -0.850 9.092 1.446 1.00 0.00 C ATOM 586 O LEU A 42 -1.932 9.133 2.030 1.00 0.00 O ATOM 587 CB LEU A 42 -1.110 7.992 -0.785 1.00 0.00 C ATOM 588 CG LEU A 42 -1.073 6.711 -1.618 1.00 0.00 C ATOM 589 CD1 LEU A 42 -1.923 6.863 -2.869 1.00 0.00 C ATOM 590 CD2 LEU A 42 0.361 6.357 -1.985 1.00 0.00 C ATOM 0 H LEU A 42 -1.797 6.315 0.994 1.00 0.00 H new ATOM 0 HA LEU A 42 0.620 7.876 0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.149 8.297 -0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.610 8.784 -1.343 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.486 5.899 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.884 5.941 -3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.955 7.070 -2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.540 7.687 -3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.370 5.442 -2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.799 7.169 -2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.942 6.205 -1.076 1.00 0.00 H new ATOM 602 N ASP A 43 0.044 10.074 1.511 1.00 0.00 N ATOM 603 CA ASP A 43 -0.203 11.282 2.289 1.00 0.00 C ATOM 604 C ASP A 43 -1.416 12.038 1.754 1.00 0.00 C ATOM 605 O ASP A 43 -2.188 12.614 2.519 1.00 0.00 O ATOM 606 CB ASP A 43 1.028 12.190 2.266 1.00 0.00 C ATOM 607 CG ASP A 43 1.995 11.882 3.392 1.00 0.00 C ATOM 608 OD1 ASP A 43 2.030 10.718 3.843 1.00 0.00 O ATOM 609 OD2 ASP A 43 2.716 12.806 3.824 1.00 0.00 O ATOM 0 H ASP A 43 0.946 10.056 1.034 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.408 10.984 3.317 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.540 12.079 1.310 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.710 13.230 2.338 1.00 0.00 H new ATOM 614 N GLU A 44 -1.577 12.032 0.435 1.00 0.00 N ATOM 615 CA GLU A 44 -2.696 12.717 -0.202 1.00 0.00 C ATOM 616 C GLU A 44 -3.911 11.797 -0.307 1.00 0.00 C ATOM 617 O GLU A 44 -3.769 10.585 -0.467 1.00 0.00 O ATOM 618 CB GLU A 44 -2.294 13.209 -1.594 1.00 0.00 C ATOM 619 CG GLU A 44 -1.337 14.389 -1.569 1.00 0.00 C ATOM 620 CD GLU A 44 -1.550 15.338 -2.732 1.00 0.00 C ATOM 621 OE1 GLU A 44 -2.145 14.911 -3.744 1.00 0.00 O ATOM 622 OE2 GLU A 44 -1.122 16.507 -2.633 1.00 0.00 O ATOM 0 H GLU A 44 -0.947 11.560 -0.214 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.964 13.574 0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.831 12.388 -2.141 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.192 13.492 -2.144 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.462 14.934 -0.633 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.311 14.021 -1.589 1.00 0.00 H new ATOM 629 N PRO A 45 -5.127 12.365 -0.218 1.00 0.00 N ATOM 630 CA PRO A 45 -6.368 11.588 -0.304 1.00 0.00 C ATOM 631 C PRO A 45 -6.647 11.101 -1.722 1.00 0.00 C ATOM 632 O PRO A 45 -7.649 11.474 -2.332 1.00 0.00 O ATOM 633 CB PRO A 45 -7.438 12.586 0.142 1.00 0.00 C ATOM 634 CG PRO A 45 -6.876 13.921 -0.204 1.00 0.00 C ATOM 635 CD PRO A 45 -5.386 13.804 -0.027 1.00 0.00 C ATOM 0 HA PRO A 45 -6.330 10.684 0.303 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.383 12.409 -0.371 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.635 12.504 1.211 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.127 14.196 -1.229 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.286 14.696 0.443 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.847 14.409 -0.756 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.072 14.140 0.961 1.00 0.00 H new ATOM 643 N LEU A 46 -5.754 10.265 -2.241 1.00 0.00 N ATOM 644 CA LEU A 46 -5.902 9.726 -3.588 1.00 0.00 C ATOM 645 C LEU A 46 -6.239 8.236 -3.554 1.00 0.00 C ATOM 646 O LEU A 46 -6.698 7.673 -4.549 1.00 0.00 O ATOM 647 CB LEU A 46 -4.621 9.952 -4.392 1.00 0.00 C ATOM 648 CG LEU A 46 -4.257 11.418 -4.634 1.00 0.00 C ATOM 649 CD1 LEU A 46 -2.861 11.530 -5.224 1.00 0.00 C ATOM 650 CD2 LEU A 46 -5.279 12.075 -5.549 1.00 0.00 C ATOM 0 H LEU A 46 -4.920 9.946 -1.749 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.727 10.251 -4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.794 9.470 -3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.724 9.455 -5.357 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.267 11.939 -3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.619 12.580 -5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.138 11.096 -4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.823 10.995 -6.173 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.005 13.118 -5.711 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.300 11.553 -6.505 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.265 12.026 -5.087 1.00 0.00 H new ATOM 662 N GLY A 47 -6.007 7.600 -2.409 1.00 0.00 N ATOM 663 CA GLY A 47 -6.292 6.182 -2.277 1.00 0.00 C ATOM 664 C GLY A 47 -7.735 5.845 -2.594 1.00 0.00 C ATOM 665 O GLY A 47 -8.528 6.727 -2.924 1.00 0.00 O ATOM 0 H GLY A 47 -5.627 8.041 -1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.637 5.620 -2.943 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.063 5.862 -1.260 1.00 0.00 H new ATOM 669 N LYS A 48 -8.076 4.563 -2.496 1.00 0.00 N ATOM 670 CA LYS A 48 -9.434 4.110 -2.777 1.00 0.00 C ATOM 671 C LYS A 48 -10.114 3.614 -1.505 1.00 0.00 C ATOM 672 O LYS A 48 -11.316 3.799 -1.319 1.00 0.00 O ATOM 673 CB LYS A 48 -9.416 2.998 -3.827 1.00 0.00 C ATOM 674 CG LYS A 48 -9.063 3.484 -5.223 1.00 0.00 C ATOM 675 CD LYS A 48 -9.796 2.691 -6.291 1.00 0.00 C ATOM 676 CE LYS A 48 -10.239 3.580 -7.441 1.00 0.00 C ATOM 677 NZ LYS A 48 -11.193 4.632 -6.993 1.00 0.00 N ATOM 0 H LYS A 48 -7.431 3.821 -2.224 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.001 4.956 -3.165 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.698 2.236 -3.524 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.395 2.520 -3.855 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.315 4.540 -5.316 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.988 3.398 -5.378 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.146 1.902 -6.670 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.666 2.204 -5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.366 4.050 -7.894 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.708 2.969 -8.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.839 4.869 -7.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.742 4.280 -6.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.665 5.482 -6.710 1.00 0.00 H new ATOM 691 N ASN A 49 -9.337 2.980 -0.633 1.00 0.00 N ATOM 692 CA ASN A 49 -9.864 2.455 0.621 1.00 0.00 C ATOM 693 C ASN A 49 -9.005 2.900 1.801 1.00 0.00 C ATOM 694 O ASN A 49 -8.043 3.649 1.634 1.00 0.00 O ATOM 695 CB ASN A 49 -9.931 0.928 0.572 1.00 0.00 C ATOM 696 CG ASN A 49 -10.884 0.425 -0.496 1.00 0.00 C ATOM 697 OD1 ASN A 49 -12.019 0.891 -0.601 1.00 0.00 O ATOM 698 ND2 ASN A 49 -10.425 -0.531 -1.296 1.00 0.00 N ATOM 0 H ASN A 49 -8.340 2.817 -0.772 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.870 2.851 0.757 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.934 0.529 0.383 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.247 0.549 1.544 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.020 -0.908 -2.033 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.477 -0.888 -1.173 1.00 0.00 H new ATOM 705 N ASP A 50 -9.361 2.433 2.993 1.00 0.00 N ATOM 706 CA ASP A 50 -8.624 2.781 4.202 1.00 0.00 C ATOM 707 C ASP A 50 -7.843 1.580 4.728 1.00 0.00 C ATOM 708 O ASP A 50 -7.866 1.286 5.923 1.00 0.00 O ATOM 709 CB ASP A 50 -9.583 3.294 5.279 1.00 0.00 C ATOM 710 CG ASP A 50 -10.759 2.363 5.495 1.00 0.00 C ATOM 711 OD1 ASP A 50 -10.640 1.167 5.157 1.00 0.00 O ATOM 712 OD2 ASP A 50 -11.800 2.829 6.005 1.00 0.00 O ATOM 0 H ASP A 50 -10.156 1.812 3.148 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.915 3.570 3.952 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.041 3.414 6.217 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.951 4.280 4.995 1.00 0.00 H new ATOM 717 N GLY A 51 -7.151 0.891 3.825 1.00 0.00 N ATOM 718 CA GLY A 51 -6.373 -0.269 4.217 1.00 0.00 C ATOM 719 C GLY A 51 -7.242 -1.421 4.681 1.00 0.00 C ATOM 720 O GLY A 51 -6.815 -2.243 5.493 1.00 0.00 O ATOM 0 H GLY A 51 -7.116 1.115 2.831 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.763 -0.595 3.375 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.688 0.011 5.017 1.00 0.00 H new ATOM 724 N ALA A 52 -8.466 -1.481 4.166 1.00 0.00 N ATOM 725 CA ALA A 52 -9.399 -2.541 4.533 1.00 0.00 C ATOM 726 C ALA A 52 -10.064 -3.137 3.297 1.00 0.00 C ATOM 727 O ALA A 52 -10.777 -2.446 2.569 1.00 0.00 O ATOM 728 CB ALA A 52 -10.448 -2.009 5.496 1.00 0.00 C ATOM 0 H ALA A 52 -8.835 -0.809 3.494 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.837 -3.333 5.028 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.138 -2.810 5.762 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.960 -1.637 6.397 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.000 -1.198 5.021 1.00 0.00 H new ATOM 734 N VAL A 53 -9.829 -4.425 3.069 1.00 0.00 N ATOM 735 CA VAL A 53 -10.406 -5.115 1.921 1.00 0.00 C ATOM 736 C VAL A 53 -11.340 -6.235 2.367 1.00 0.00 C ATOM 737 O VAL A 53 -11.030 -6.981 3.295 1.00 0.00 O ATOM 738 CB VAL A 53 -9.312 -5.706 1.011 1.00 0.00 C ATOM 739 CG1 VAL A 53 -9.920 -6.242 -0.276 1.00 0.00 C ATOM 740 CG2 VAL A 53 -8.247 -4.661 0.712 1.00 0.00 C ATOM 0 H VAL A 53 -9.243 -5.012 3.663 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.973 -4.373 1.359 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.838 -6.536 1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.132 -6.655 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.643 -7.023 -0.039 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.421 -5.432 -0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.482 -5.095 0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.704 -3.809 0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.791 -4.329 1.645 1.00 0.00 H new ATOM 750 N ALA A 54 -12.482 -6.348 1.697 1.00 0.00 N ATOM 751 CA ALA A 54 -13.461 -7.377 2.024 1.00 0.00 C ATOM 752 C ALA A 54 -13.953 -7.232 3.461 1.00 0.00 C ATOM 753 O ALA A 54 -14.165 -8.223 4.159 1.00 0.00 O ATOM 754 CB ALA A 54 -12.863 -8.759 1.807 1.00 0.00 C ATOM 0 H ALA A 54 -12.752 -5.739 0.924 1.00 0.00 H new ATOM 0 HA ALA A 54 -14.317 -7.253 1.361 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -13.604 -9.519 2.055 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -12.567 -8.867 0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.989 -8.882 2.447 1.00 0.00 H new ATOM 760 N GLY A 55 -14.134 -5.989 3.895 1.00 0.00 N ATOM 761 CA GLY A 55 -14.601 -5.736 5.246 1.00 0.00 C ATOM 762 C GLY A 55 -13.595 -6.164 6.297 1.00 0.00 C ATOM 763 O GLY A 55 -13.969 -6.515 7.417 1.00 0.00 O ATOM 0 H GLY A 55 -13.966 -5.153 3.336 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.812 -4.673 5.361 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.539 -6.267 5.408 1.00 0.00 H new ATOM 767 N THR A 56 -12.317 -6.135 5.937 1.00 0.00 N ATOM 768 CA THR A 56 -11.254 -6.522 6.857 1.00 0.00 C ATOM 769 C THR A 56 -10.123 -5.498 6.845 1.00 0.00 C ATOM 770 O THR A 56 -9.433 -5.333 5.840 1.00 0.00 O ATOM 771 CB THR A 56 -10.710 -7.903 6.489 1.00 0.00 C ATOM 772 OG1 THR A 56 -11.725 -8.704 5.911 1.00 0.00 O ATOM 773 CG2 THR A 56 -10.148 -8.659 7.674 1.00 0.00 C ATOM 0 H THR A 56 -11.992 -5.847 5.014 1.00 0.00 H new ATOM 0 HA THR A 56 -11.674 -6.560 7.862 1.00 0.00 H new ATOM 0 HB THR A 56 -9.903 -7.717 5.781 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.832 -8.465 4.967 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.779 -9.630 7.344 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.329 -8.090 8.114 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.931 -8.802 8.419 1.00 0.00 H new ATOM 781 N ARG A 57 -9.941 -4.811 7.968 1.00 0.00 N ATOM 782 CA ARG A 57 -8.895 -3.802 8.086 1.00 0.00 C ATOM 783 C ARG A 57 -7.726 -4.326 8.915 1.00 0.00 C ATOM 784 O ARG A 57 -7.848 -4.523 10.124 1.00 0.00 O ATOM 785 CB ARG A 57 -9.455 -2.528 8.722 1.00 0.00 C ATOM 786 CG ARG A 57 -8.492 -1.353 8.679 1.00 0.00 C ATOM 787 CD ARG A 57 -9.222 -0.029 8.839 1.00 0.00 C ATOM 788 NE ARG A 57 -10.094 -0.022 10.011 1.00 0.00 N ATOM 789 CZ ARG A 57 -11.088 0.844 10.191 1.00 0.00 C ATOM 790 NH1 ARG A 57 -11.339 1.775 9.278 1.00 0.00 N ATOM 791 NH2 ARG A 57 -11.833 0.780 11.286 1.00 0.00 N ATOM 0 H ARG A 57 -10.504 -4.935 8.809 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.533 -3.571 7.084 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.376 -2.251 8.210 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.717 -2.735 9.760 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.751 -1.459 9.471 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.950 -1.359 7.733 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.494 0.778 8.924 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.814 0.169 7.946 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.931 -0.723 10.734 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.769 1.829 8.434 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.102 2.437 9.421 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.644 0.067 11.990 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.595 1.444 11.424 1.00 0.00 H new ATOM 805 N TYR A 58 -6.593 -4.549 8.256 1.00 0.00 N ATOM 806 CA TYR A 58 -5.402 -5.048 8.932 1.00 0.00 C ATOM 807 C TYR A 58 -4.685 -3.925 9.675 1.00 0.00 C ATOM 808 O TYR A 58 -4.271 -4.090 10.821 1.00 0.00 O ATOM 809 CB TYR A 58 -4.451 -5.697 7.925 1.00 0.00 C ATOM 810 CG TYR A 58 -5.108 -6.755 7.067 1.00 0.00 C ATOM 811 CD1 TYR A 58 -5.364 -8.024 7.569 1.00 0.00 C ATOM 812 CD2 TYR A 58 -5.471 -6.484 5.754 1.00 0.00 C ATOM 813 CE1 TYR A 58 -5.962 -8.994 6.789 1.00 0.00 C ATOM 814 CE2 TYR A 58 -6.070 -7.449 4.966 1.00 0.00 C ATOM 815 CZ TYR A 58 -6.314 -8.701 5.488 1.00 0.00 C ATOM 816 OH TYR A 58 -6.911 -9.664 4.707 1.00 0.00 O ATOM 0 H TYR A 58 -6.475 -4.392 7.255 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.716 -5.797 9.659 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.036 -4.923 7.279 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.616 -6.145 8.463 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.091 -8.257 8.588 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.282 -5.504 5.342 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.153 -9.976 7.195 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.345 -7.223 3.946 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.096 -9.296 3.818 1.00 0.00 H new ATOM 826 N PHE A 59 -4.544 -2.781 9.011 1.00 0.00 N ATOM 827 CA PHE A 59 -3.878 -1.629 9.607 1.00 0.00 C ATOM 828 C PHE A 59 -4.808 -0.420 9.640 1.00 0.00 C ATOM 829 O PHE A 59 -5.357 -0.018 8.615 1.00 0.00 O ATOM 830 CB PHE A 59 -2.607 -1.288 8.827 1.00 0.00 C ATOM 831 CG PHE A 59 -2.846 -1.051 7.363 1.00 0.00 C ATOM 832 CD1 PHE A 59 -2.831 -2.108 6.466 1.00 0.00 C ATOM 833 CD2 PHE A 59 -3.083 0.228 6.885 1.00 0.00 C ATOM 834 CE1 PHE A 59 -3.050 -1.892 5.119 1.00 0.00 C ATOM 835 CE2 PHE A 59 -3.303 0.449 5.538 1.00 0.00 C ATOM 836 CZ PHE A 59 -3.286 -0.613 4.654 1.00 0.00 C ATOM 0 H PHE A 59 -4.882 -2.628 8.061 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.609 -1.886 10.631 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.152 -0.398 9.261 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.890 -2.101 8.943 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.646 -3.110 6.824 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.096 1.061 7.572 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.037 -2.723 4.430 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.488 1.450 5.177 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.457 -0.443 3.601 1.00 0.00 H new ATOM 846 N GLN A 60 -4.979 0.155 10.826 1.00 0.00 N ATOM 847 CA GLN A 60 -5.843 1.318 10.994 1.00 0.00 C ATOM 848 C GLN A 60 -5.353 2.486 10.143 1.00 0.00 C ATOM 849 O GLN A 60 -4.165 2.808 10.137 1.00 0.00 O ATOM 850 CB GLN A 60 -5.897 1.732 12.465 1.00 0.00 C ATOM 851 CG GLN A 60 -6.835 2.896 12.736 1.00 0.00 C ATOM 852 CD GLN A 60 -8.292 2.476 12.765 1.00 0.00 C ATOM 853 OE1 GLN A 60 -8.742 1.818 13.702 1.00 0.00 O ATOM 854 NE2 GLN A 60 -9.038 2.855 11.732 1.00 0.00 N ATOM 0 H GLN A 60 -4.531 -0.165 11.685 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.845 1.045 10.664 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.211 0.877 13.063 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.894 2.001 12.795 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.574 3.354 13.690 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.695 3.657 11.968 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.623 3.400 10.976 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.025 2.601 11.695 1.00 0.00 H new ATOM 863 N CYS A 61 -6.278 3.118 9.427 1.00 0.00 N ATOM 864 CA CYS A 61 -5.942 4.251 8.573 1.00 0.00 C ATOM 865 C CYS A 61 -7.201 4.987 8.123 1.00 0.00 C ATOM 866 O CYS A 61 -8.284 4.403 8.064 1.00 0.00 O ATOM 867 CB CYS A 61 -5.148 3.780 7.353 1.00 0.00 C ATOM 868 SG CYS A 61 -3.354 3.901 7.547 1.00 0.00 S ATOM 0 H CYS A 61 -7.266 2.864 9.422 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.328 4.941 9.153 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.410 2.744 7.140 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.450 4.369 6.487 1.00 0.00 H new ATOM 0 HG CYS A 61 -3.016 3.481 8.730 1.00 0.00 H new ATOM 874 N PRO A 62 -7.078 6.286 7.798 1.00 0.00 N ATOM 875 CA PRO A 62 -8.212 7.100 7.352 1.00 0.00 C ATOM 876 C PRO A 62 -8.676 6.727 5.947 1.00 0.00 C ATOM 877 O PRO A 62 -8.017 5.956 5.250 1.00 0.00 O ATOM 878 CB PRO A 62 -7.654 8.524 7.370 1.00 0.00 C ATOM 879 CG PRO A 62 -6.188 8.356 7.170 1.00 0.00 C ATOM 880 CD PRO A 62 -5.822 7.060 7.840 1.00 0.00 C ATOM 0 HA PRO A 62 -9.088 6.962 7.986 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.095 9.132 6.580 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.871 9.023 8.315 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.940 8.330 6.109 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.637 9.189 7.606 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.017 6.548 7.312 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.482 7.219 8.863 1.00 0.00 H new ATOM 888 N PRO A 63 -9.826 7.271 5.510 1.00 0.00 N ATOM 889 CA PRO A 63 -10.378 6.991 4.181 1.00 0.00 C ATOM 890 C PRO A 63 -9.571 7.649 3.067 1.00 0.00 C ATOM 891 O PRO A 63 -9.025 8.738 3.242 1.00 0.00 O ATOM 892 CB PRO A 63 -11.784 7.590 4.249 1.00 0.00 C ATOM 893 CG PRO A 63 -11.684 8.673 5.265 1.00 0.00 C ATOM 894 CD PRO A 63 -10.676 8.201 6.278 1.00 0.00 C ATOM 0 HA PRO A 63 -10.364 5.926 3.950 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.094 7.983 3.281 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.520 6.841 4.540 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -11.367 9.610 4.807 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -12.650 8.859 5.734 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.098 9.030 6.685 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.156 7.703 7.120 1.00 0.00 H new ATOM 902 N LYS A 64 -9.501 6.980 1.920 1.00 0.00 N ATOM 903 CA LYS A 64 -8.762 7.499 0.774 1.00 0.00 C ATOM 904 C LYS A 64 -7.278 7.641 1.101 1.00 0.00 C ATOM 905 O LYS A 64 -6.602 8.530 0.582 1.00 0.00 O ATOM 906 CB LYS A 64 -9.332 8.851 0.341 1.00 0.00 C ATOM 907 CG LYS A 64 -10.794 8.793 -0.065 1.00 0.00 C ATOM 908 CD LYS A 64 -10.981 8.032 -1.367 1.00 0.00 C ATOM 909 CE LYS A 64 -11.412 6.596 -1.117 1.00 0.00 C ATOM 910 NZ LYS A 64 -12.789 6.519 -0.554 1.00 0.00 N ATOM 0 H LYS A 64 -9.947 6.077 1.760 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.869 6.789 -0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.219 9.562 1.159 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.746 9.232 -0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.373 8.313 0.724 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.182 9.805 -0.175 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.729 8.536 -1.980 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.048 8.040 -1.931 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.370 6.037 -2.052 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.712 6.121 -0.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.194 5.582 -0.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.752 6.667 0.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.383 7.253 -0.989 1.00 0.00 H new ATOM 924 N PHE A 65 -6.779 6.761 1.961 1.00 0.00 N ATOM 925 CA PHE A 65 -5.376 6.790 2.355 1.00 0.00 C ATOM 926 C PHE A 65 -4.744 5.409 2.212 1.00 0.00 C ATOM 927 O PHE A 65 -3.643 5.271 1.676 1.00 0.00 O ATOM 928 CB PHE A 65 -5.238 7.283 3.797 1.00 0.00 C ATOM 929 CG PHE A 65 -4.908 8.745 3.902 1.00 0.00 C ATOM 930 CD1 PHE A 65 -5.890 9.705 3.714 1.00 0.00 C ATOM 931 CD2 PHE A 65 -3.618 9.159 4.189 1.00 0.00 C ATOM 932 CE1 PHE A 65 -5.590 11.050 3.810 1.00 0.00 C ATOM 933 CE2 PHE A 65 -3.312 10.502 4.286 1.00 0.00 C ATOM 934 CZ PHE A 65 -4.299 11.450 4.097 1.00 0.00 C ATOM 0 H PHE A 65 -7.325 6.019 2.399 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.852 7.480 1.693 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.169 7.090 4.329 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.460 6.706 4.297 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.901 9.398 3.490 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.842 8.423 4.339 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.364 11.788 3.661 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.302 10.811 4.509 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.062 12.501 4.173 1.00 0.00 H new ATOM 944 N GLY A 66 -5.446 4.389 2.695 1.00 0.00 N ATOM 945 CA GLY A 66 -4.937 3.033 2.610 1.00 0.00 C ATOM 946 C GLY A 66 -5.202 2.398 1.259 1.00 0.00 C ATOM 947 O GLY A 66 -6.323 1.975 0.974 1.00 0.00 O ATOM 0 H GLY A 66 -6.358 4.477 3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.864 3.038 2.801 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.397 2.426 3.390 1.00 0.00 H new ATOM 951 N LEU A 67 -4.170 2.332 0.425 1.00 0.00 N ATOM 952 CA LEU A 67 -4.296 1.745 -0.904 1.00 0.00 C ATOM 953 C LEU A 67 -3.450 0.482 -1.023 1.00 0.00 C ATOM 954 O LEU A 67 -2.289 0.460 -0.614 1.00 0.00 O ATOM 955 CB LEU A 67 -3.878 2.757 -1.973 1.00 0.00 C ATOM 956 CG LEU A 67 -4.093 2.300 -3.416 1.00 0.00 C ATOM 957 CD1 LEU A 67 -5.566 2.026 -3.675 1.00 0.00 C ATOM 958 CD2 LEU A 67 -3.563 3.342 -4.389 1.00 0.00 C ATOM 0 H LEU A 67 -3.236 2.678 0.646 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.341 1.476 -1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.434 3.681 -1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.823 2.992 -1.836 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.540 1.373 -3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.700 1.702 -4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.915 1.244 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.141 2.936 -3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.724 3.000 -5.411 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.088 4.285 -4.234 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.496 3.489 -4.219 1.00 0.00 H new ATOM 970 N PHE A 68 -4.039 -0.567 -1.588 1.00 0.00 N ATOM 971 CA PHE A 68 -3.338 -1.834 -1.762 1.00 0.00 C ATOM 972 C PHE A 68 -2.854 -1.994 -3.200 1.00 0.00 C ATOM 973 O PHE A 68 -3.636 -1.889 -4.144 1.00 0.00 O ATOM 974 CB PHE A 68 -4.253 -3.001 -1.388 1.00 0.00 C ATOM 975 CG PHE A 68 -4.595 -3.052 0.074 1.00 0.00 C ATOM 976 CD1 PHE A 68 -3.722 -3.625 0.984 1.00 0.00 C ATOM 977 CD2 PHE A 68 -5.790 -2.525 0.538 1.00 0.00 C ATOM 978 CE1 PHE A 68 -4.034 -3.673 2.330 1.00 0.00 C ATOM 979 CE2 PHE A 68 -6.109 -2.570 1.881 1.00 0.00 C ATOM 980 CZ PHE A 68 -5.229 -3.144 2.778 1.00 0.00 C ATOM 0 H PHE A 68 -4.999 -0.565 -1.933 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.470 -1.835 -1.103 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.174 -2.929 -1.966 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.770 -3.936 -1.673 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.787 -4.039 0.638 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.480 -2.074 -0.159 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.345 -4.123 3.030 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.044 -2.157 2.229 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.475 -3.179 3.829 1.00 0.00 H new ATOM 990 N ALA A 69 -1.559 -2.249 -3.357 1.00 0.00 N ATOM 991 CA ALA A 69 -0.972 -2.425 -4.679 1.00 0.00 C ATOM 992 C ALA A 69 -0.012 -3.612 -4.700 1.00 0.00 C ATOM 993 O ALA A 69 0.642 -3.909 -3.699 1.00 0.00 O ATOM 994 CB ALA A 69 -0.253 -1.155 -5.110 1.00 0.00 C ATOM 0 H ALA A 69 -0.897 -2.338 -2.586 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.778 -2.630 -5.383 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.181 -1.300 -6.099 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.963 -0.328 -5.143 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.539 -0.925 -4.397 1.00 0.00 H new ATOM 1000 N PRO A 70 0.088 -4.311 -5.845 1.00 0.00 N ATOM 1001 CA PRO A 70 0.976 -5.469 -5.986 1.00 0.00 C ATOM 1002 C PRO A 70 2.415 -5.143 -5.603 1.00 0.00 C ATOM 1003 O PRO A 70 2.853 -3.998 -5.714 1.00 0.00 O ATOM 1004 CB PRO A 70 0.885 -5.813 -7.476 1.00 0.00 C ATOM 1005 CG PRO A 70 -0.424 -5.257 -7.918 1.00 0.00 C ATOM 1006 CD PRO A 70 -0.653 -4.025 -7.087 1.00 0.00 C ATOM 0 HA PRO A 70 0.683 -6.288 -5.329 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.711 -5.372 -8.035 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.931 -6.890 -7.636 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.406 -5.013 -8.980 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.225 -5.981 -7.771 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.277 -3.130 -7.583 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.713 -3.861 -6.894 1.00 0.00 H new ATOM 1014 N ILE A 71 3.146 -6.157 -5.151 1.00 0.00 N ATOM 1015 CA ILE A 71 4.536 -5.976 -4.751 1.00 0.00 C ATOM 1016 C ILE A 71 5.379 -5.451 -5.911 1.00 0.00 C ATOM 1017 O ILE A 71 6.167 -4.520 -5.747 1.00 0.00 O ATOM 1018 CB ILE A 71 5.149 -7.294 -4.232 1.00 0.00 C ATOM 1019 CG1 ILE A 71 6.574 -7.059 -3.725 1.00 0.00 C ATOM 1020 CG2 ILE A 71 5.137 -8.355 -5.322 1.00 0.00 C ATOM 1021 CD1 ILE A 71 6.903 -7.836 -2.470 1.00 0.00 C ATOM 0 H ILE A 71 2.799 -7.111 -5.053 1.00 0.00 H new ATOM 0 HA ILE A 71 4.541 -5.243 -3.944 1.00 0.00 H new ATOM 0 HB ILE A 71 4.542 -7.651 -3.400 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.280 -7.334 -4.509 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.711 -5.995 -3.531 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.573 -9.277 -4.937 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.110 -8.543 -5.636 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.719 -8.007 -6.175 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.928 -7.622 -2.168 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.220 -7.544 -1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.798 -8.903 -2.665 1.00 0.00 H new ATOM 1033 N HIS A 72 5.204 -6.052 -7.085 1.00 0.00 N ATOM 1034 CA HIS A 72 5.948 -5.641 -8.270 1.00 0.00 C ATOM 1035 C HIS A 72 5.606 -4.206 -8.663 1.00 0.00 C ATOM 1036 O HIS A 72 6.364 -3.553 -9.379 1.00 0.00 O ATOM 1037 CB HIS A 72 5.656 -6.586 -9.437 1.00 0.00 C ATOM 1038 CG HIS A 72 4.200 -6.881 -9.622 1.00 0.00 C ATOM 1039 ND1 HIS A 72 3.554 -7.953 -9.049 1.00 0.00 N ATOM 1040 CD2 HIS A 72 3.258 -6.217 -10.340 1.00 0.00 C ATOM 1041 CE1 HIS A 72 2.270 -7.911 -9.428 1.00 0.00 C ATOM 1042 NE2 HIS A 72 2.038 -6.875 -10.211 1.00 0.00 N ATOM 0 H HIS A 72 4.555 -6.823 -7.240 1.00 0.00 H new ATOM 0 HA HIS A 72 7.011 -5.687 -8.031 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.048 -6.148 -10.355 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.190 -7.523 -9.277 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.428 -5.321 -10.919 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.522 -8.631 -9.131 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.148 -6.611 -10.634 1.00 0.00 H new ATOM 1050 N LYS A 73 4.460 -3.720 -8.191 1.00 0.00 N ATOM 1051 CA LYS A 73 4.024 -2.362 -8.495 1.00 0.00 C ATOM 1052 C LYS A 73 4.409 -1.398 -7.378 1.00 0.00 C ATOM 1053 O LYS A 73 3.784 -0.351 -7.207 1.00 0.00 O ATOM 1054 CB LYS A 73 2.510 -2.328 -8.713 1.00 0.00 C ATOM 1055 CG LYS A 73 2.079 -2.844 -10.077 1.00 0.00 C ATOM 1056 CD LYS A 73 1.792 -1.704 -11.040 1.00 0.00 C ATOM 1057 CE LYS A 73 0.750 -2.097 -12.075 1.00 0.00 C ATOM 1058 NZ LYS A 73 0.259 -0.920 -12.844 1.00 0.00 N ATOM 0 H LYS A 73 3.819 -4.246 -7.598 1.00 0.00 H new ATOM 0 HA LYS A 73 4.526 -2.045 -9.409 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.027 -2.924 -7.939 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.157 -1.304 -8.593 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.861 -3.482 -10.489 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.188 -3.462 -9.968 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.443 -0.835 -10.483 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.713 -1.411 -11.543 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.178 -2.827 -12.762 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.090 -2.582 -11.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.450 -1.230 -13.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.173 -0.235 -12.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.056 -0.472 -13.339 1.00 0.00 H new ATOM 1072 N VAL A 74 5.440 -1.753 -6.617 1.00 0.00 N ATOM 1073 CA VAL A 74 5.904 -0.914 -5.518 1.00 0.00 C ATOM 1074 C VAL A 74 7.380 -0.565 -5.678 1.00 0.00 C ATOM 1075 O VAL A 74 8.239 -1.447 -5.689 1.00 0.00 O ATOM 1076 CB VAL A 74 5.698 -1.604 -4.157 1.00 0.00 C ATOM 1077 CG1 VAL A 74 5.985 -0.637 -3.019 1.00 0.00 C ATOM 1078 CG2 VAL A 74 4.286 -2.164 -4.049 1.00 0.00 C ATOM 0 H VAL A 74 5.970 -2.616 -6.741 1.00 0.00 H new ATOM 0 HA VAL A 74 5.311 -0.000 -5.547 1.00 0.00 H new ATOM 0 HB VAL A 74 6.399 -2.435 -4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.834 -1.143 -2.065 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.016 -0.291 -3.087 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.311 0.217 -3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.160 -2.648 -3.080 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.564 -1.353 -4.146 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.122 -2.893 -4.843 1.00 0.00 H new ATOM 1088 N ILE A 75 7.667 0.726 -5.803 1.00 0.00 N ATOM 1089 CA ILE A 75 9.039 1.192 -5.965 1.00 0.00 C ATOM 1090 C ILE A 75 9.515 1.937 -4.722 1.00 0.00 C ATOM 1091 O ILE A 75 8.880 2.894 -4.279 1.00 0.00 O ATOM 1092 CB ILE A 75 9.181 2.116 -7.189 1.00 0.00 C ATOM 1093 CG1 ILE A 75 8.523 1.478 -8.415 1.00 0.00 C ATOM 1094 CG2 ILE A 75 10.647 2.413 -7.462 1.00 0.00 C ATOM 1095 CD1 ILE A 75 8.348 2.436 -9.573 1.00 0.00 C ATOM 0 H ILE A 75 6.968 1.468 -5.795 1.00 0.00 H new ATOM 0 HA ILE A 75 9.657 0.307 -6.116 1.00 0.00 H new ATOM 0 HB ILE A 75 8.674 3.057 -6.976 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.127 0.631 -8.742 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.548 1.083 -8.130 1.00 0.00 H new ATOM 0 HG21 ILE A 75 10.730 3.067 -8.330 1.00 0.00 H new ATOM 0 HG22 ILE A 75 11.086 2.904 -6.594 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.177 1.481 -7.658 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.876 1.916 -10.407 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.719 3.271 -9.263 1.00 0.00 H new ATOM 0 HD13 ILE A 75 9.322 2.812 -9.885 1.00 0.00 H new ATOM 1107 N ARG A 76 10.637 1.491 -4.165 1.00 0.00 N ATOM 1108 CA ARG A 76 11.199 2.116 -2.973 1.00 0.00 C ATOM 1109 C ARG A 76 11.734 3.510 -3.289 1.00 0.00 C ATOM 1110 O ARG A 76 12.319 3.736 -4.348 1.00 0.00 O ATOM 1111 CB ARG A 76 12.318 1.245 -2.396 1.00 0.00 C ATOM 1112 CG ARG A 76 11.865 0.356 -1.249 1.00 0.00 C ATOM 1113 CD ARG A 76 12.310 -1.085 -1.447 1.00 0.00 C ATOM 1114 NE ARG A 76 13.756 -1.236 -1.307 1.00 0.00 N ATOM 1115 CZ ARG A 76 14.361 -2.401 -1.083 1.00 0.00 C ATOM 1116 NH1 ARG A 76 13.650 -3.515 -0.972 1.00 0.00 N ATOM 1117 NH2 ARG A 76 15.681 -2.449 -0.968 1.00 0.00 N ATOM 0 H ARG A 76 11.174 0.700 -4.520 1.00 0.00 H new ATOM 0 HA ARG A 76 10.404 2.212 -2.234 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.727 0.620 -3.190 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.126 1.889 -2.049 1.00 0.00 H new ATOM 0 HG2 ARG A 76 12.270 0.737 -0.311 1.00 0.00 H new ATOM 0 HG3 ARG A 76 10.779 0.394 -1.166 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.807 -1.723 -0.720 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.004 -1.426 -2.436 1.00 0.00 H new ATOM 0 HE ARG A 76 14.336 -0.401 -1.385 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.634 -3.482 -1.058 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.119 -4.404 -0.800 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.232 -1.594 -1.051 1.00 0.00 H new ATOM 0 HH22 ARG A 76 16.146 -3.341 -0.796 1.00 0.00 H new ATOM 1131 N ILE A 77 11.527 4.441 -2.363 1.00 0.00 N ATOM 1132 CA ILE A 77 11.988 5.813 -2.542 1.00 0.00 C ATOM 1133 C ILE A 77 13.313 6.045 -1.824 1.00 0.00 C ATOM 1134 O ILE A 77 14.293 6.476 -2.431 1.00 0.00 O ATOM 1135 CB ILE A 77 10.951 6.827 -2.023 1.00 0.00 C ATOM 1136 CG1 ILE A 77 9.561 6.492 -2.565 1.00 0.00 C ATOM 1137 CG2 ILE A 77 11.352 8.241 -2.413 1.00 0.00 C ATOM 1138 CD1 ILE A 77 8.439 7.185 -1.822 1.00 0.00 C ATOM 0 H ILE A 77 11.043 4.270 -1.481 1.00 0.00 H new ATOM 0 HA ILE A 77 12.126 5.963 -3.613 1.00 0.00 H new ATOM 0 HB ILE A 77 10.919 6.767 -0.935 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.514 6.769 -3.618 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.409 5.414 -2.512 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.609 8.946 -2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.325 8.476 -1.981 1.00 0.00 H new ATOM 0 HG23 ILE A 77 11.410 8.316 -3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.482 6.901 -2.261 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.460 6.889 -0.773 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.566 8.265 -1.896 1.00 0.00 H new ATOM 1150 N GLY A 78 13.335 5.758 -0.526 1.00 0.00 N ATOM 1151 CA GLY A 78 14.544 5.942 0.255 1.00 0.00 C ATOM 1152 C GLY A 78 15.164 4.628 0.685 1.00 0.00 C ATOM 1153 O GLY A 78 15.561 3.817 -0.152 1.00 0.00 O ATOM 0 H GLY A 78 12.536 5.401 -0.001 1.00 0.00 H new ATOM 0 HA2 GLY A 78 15.269 6.507 -0.331 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.315 6.538 1.138 1.00 0.00 H new ATOM 1157 N SER A 79 15.248 4.416 1.995 1.00 0.00 N ATOM 1158 CA SER A 79 15.825 3.191 2.537 1.00 0.00 C ATOM 1159 C SER A 79 17.263 3.009 2.061 1.00 0.00 C ATOM 1160 O SER A 79 17.743 3.755 1.208 1.00 0.00 O ATOM 1161 CB SER A 79 14.982 1.981 2.130 1.00 0.00 C ATOM 1162 OG SER A 79 15.315 1.542 0.824 1.00 0.00 O ATOM 0 H SER A 79 14.924 5.077 2.701 1.00 0.00 H new ATOM 0 HA SER A 79 15.830 3.272 3.624 1.00 0.00 H new ATOM 0 HB2 SER A 79 15.139 1.169 2.841 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.924 2.241 2.171 1.00 0.00 H new ATOM 0 HG SER A 79 15.258 2.296 0.201 1.00 0.00 H new ATOM 1168 N GLY A 80 17.945 2.013 2.617 1.00 0.00 N ATOM 1169 CA GLY A 80 19.321 1.755 2.234 1.00 0.00 C ATOM 1170 C GLY A 80 19.614 0.272 2.082 1.00 0.00 C ATOM 1171 O GLY A 80 19.196 -0.345 1.102 1.00 0.00 O ATOM 0 H GLY A 80 17.570 1.381 3.325 1.00 0.00 H new ATOM 0 HA2 GLY A 80 19.534 2.263 1.293 1.00 0.00 H new ATOM 0 HA3 GLY A 80 19.989 2.179 2.984 1.00 0.00 H new ATOM 1175 N PRO A 81 20.334 -0.336 3.042 1.00 0.00 N ATOM 1176 CA PRO A 81 20.671 -1.762 2.989 1.00 0.00 C ATOM 1177 C PRO A 81 19.471 -2.652 3.291 1.00 0.00 C ATOM 1178 O PRO A 81 18.762 -2.443 4.275 1.00 0.00 O ATOM 1179 CB PRO A 81 21.735 -1.911 4.078 1.00 0.00 C ATOM 1180 CG PRO A 81 21.425 -0.831 5.055 1.00 0.00 C ATOM 1181 CD PRO A 81 20.877 0.317 4.251 1.00 0.00 C ATOM 0 HA PRO A 81 21.008 -2.067 1.998 1.00 0.00 H new ATOM 0 HB2 PRO A 81 21.689 -2.894 4.546 1.00 0.00 H new ATOM 0 HB3 PRO A 81 22.739 -1.800 3.669 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.699 -1.171 5.794 1.00 0.00 H new ATOM 0 HG3 PRO A 81 22.319 -0.532 5.601 1.00 0.00 H new ATOM 0 HD2 PRO A 81 20.103 0.856 4.797 1.00 0.00 H new ATOM 0 HD3 PRO A 81 21.654 1.040 4.002 1.00 0.00 H new ATOM 1189 N SER A 82 19.249 -3.646 2.437 1.00 0.00 N ATOM 1190 CA SER A 82 18.133 -4.569 2.612 1.00 0.00 C ATOM 1191 C SER A 82 18.334 -5.832 1.782 1.00 0.00 C ATOM 1192 O SER A 82 18.941 -5.793 0.712 1.00 0.00 O ATOM 1193 CB SER A 82 16.818 -3.892 2.220 1.00 0.00 C ATOM 1194 OG SER A 82 16.770 -2.558 2.696 1.00 0.00 O ATOM 0 H SER A 82 19.827 -3.833 1.617 1.00 0.00 H new ATOM 0 HA SER A 82 18.090 -4.851 3.664 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.711 -3.899 1.135 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.979 -4.457 2.626 1.00 0.00 H new ATOM 0 HG SER A 82 17.251 -2.497 3.548 1.00 0.00 H new ATOM 1200 N SER A 83 17.820 -6.951 2.283 1.00 0.00 N ATOM 1201 CA SER A 83 17.942 -8.228 1.588 1.00 0.00 C ATOM 1202 C SER A 83 19.406 -8.615 1.411 1.00 0.00 C ATOM 1203 O SER A 83 20.307 -7.876 1.807 1.00 0.00 O ATOM 1204 CB SER A 83 17.252 -8.157 0.223 1.00 0.00 C ATOM 1205 OG SER A 83 16.839 -9.443 -0.207 1.00 0.00 O ATOM 0 H SER A 83 17.315 -6.999 3.168 1.00 0.00 H new ATOM 0 HA SER A 83 17.455 -8.991 2.195 1.00 0.00 H new ATOM 0 HB2 SER A 83 16.388 -7.495 0.283 1.00 0.00 H new ATOM 0 HB3 SER A 83 17.933 -7.726 -0.511 1.00 0.00 H new ATOM 0 HG SER A 83 16.400 -9.371 -1.080 1.00 0.00 H new ATOM 1211 N GLY A 84 19.636 -9.779 0.813 1.00 0.00 N ATOM 1212 CA GLY A 84 20.993 -10.245 0.594 1.00 0.00 C ATOM 1213 C GLY A 84 21.148 -10.980 -0.723 1.00 0.00 C ATOM 1214 O GLY A 84 22.156 -10.740 -1.422 1.00 0.00 O ATOM 1215 OXT GLY A 84 20.263 -11.796 -1.056 1.00 0.00 O ATOM 0 H GLY A 84 18.907 -10.408 0.476 1.00 0.00 H new ATOM 0 HA2 GLY A 84 21.674 -9.394 0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 84 21.284 -10.905 1.411 1.00 0.00 H new TER 1219 GLY A 84