USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=17 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+ 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= 0.0184 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0941 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 163:sc= -3.18! (180deg=-4.33!) USER MOD Single : A 21 THR OG1 : rot 36:sc= 0.0526 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 75:sc= 1.2 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot -160:sc= -0.65 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.12) USER MOD Single : A 61 CYS SG : rot 43:sc= 0.206 USER MOD Single : A 64 LYS NZ :NH3+ 146:sc= 0.842 (180deg=0.0469) USER MOD Single : A 72 HIS : no HD1:sc= -2.9! C(o=-2.9!,f=-2.8!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.229 -1.475 -14.707 1.00 0.00 N ATOM 2 CA GLY A 1 14.241 -0.391 -14.567 1.00 0.00 C ATOM 3 C GLY A 1 15.316 -0.729 -13.554 1.00 0.00 C ATOM 4 O GLY A 1 16.505 -0.712 -13.872 1.00 0.00 O ATOM 0 H1 GLY A 1 12.516 -1.196 -15.411 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.698 -2.350 -15.018 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.765 -1.638 -13.790 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.705 -0.204 -15.536 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.742 0.531 -14.269 1.00 0.00 H new ATOM 10 N SER A 2 14.898 -1.037 -12.331 1.00 0.00 N ATOM 11 CA SER A 2 15.834 -1.380 -11.267 1.00 0.00 C ATOM 12 C SER A 2 15.308 -2.544 -10.434 1.00 0.00 C ATOM 13 O SER A 2 15.574 -2.633 -9.235 1.00 0.00 O ATOM 14 CB SER A 2 16.086 -0.168 -10.369 1.00 0.00 C ATOM 15 OG SER A 2 17.440 -0.112 -9.953 1.00 0.00 O ATOM 0 H SER A 2 13.917 -1.056 -12.052 1.00 0.00 H new ATOM 0 HA SER A 2 16.774 -1.682 -11.729 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.829 0.745 -10.906 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.436 -0.218 -9.495 1.00 0.00 H new ATOM 0 HG SER A 2 17.574 0.673 -9.382 1.00 0.00 H new ATOM 21 N SER A 3 14.560 -3.435 -11.077 1.00 0.00 N ATOM 22 CA SER A 3 13.996 -4.594 -10.396 1.00 0.00 C ATOM 23 C SER A 3 14.991 -5.749 -10.370 1.00 0.00 C ATOM 24 O SER A 3 15.919 -5.800 -11.179 1.00 0.00 O ATOM 25 CB SER A 3 12.703 -5.036 -11.081 1.00 0.00 C ATOM 26 OG SER A 3 12.869 -5.107 -12.487 1.00 0.00 O ATOM 0 H SER A 3 14.331 -3.376 -12.069 1.00 0.00 H new ATOM 0 HA SER A 3 13.775 -4.306 -9.368 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.399 -6.010 -10.698 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.903 -4.336 -10.841 1.00 0.00 H new ATOM 0 HG SER A 3 12.029 -5.394 -12.902 1.00 0.00 H new ATOM 32 N GLY A 4 14.794 -6.674 -9.437 1.00 0.00 N ATOM 33 CA GLY A 4 15.682 -7.815 -9.325 1.00 0.00 C ATOM 34 C GLY A 4 15.380 -8.668 -8.108 1.00 0.00 C ATOM 35 O GLY A 4 15.529 -9.890 -8.145 1.00 0.00 O ATOM 0 H GLY A 4 14.035 -6.654 -8.756 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.598 -8.427 -10.223 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.713 -7.465 -9.273 1.00 0.00 H new ATOM 39 N SER A 5 14.956 -8.023 -7.027 1.00 0.00 N ATOM 40 CA SER A 5 14.632 -8.729 -5.792 1.00 0.00 C ATOM 41 C SER A 5 13.223 -8.381 -5.320 1.00 0.00 C ATOM 42 O SER A 5 12.582 -7.480 -5.860 1.00 0.00 O ATOM 43 CB SER A 5 15.647 -8.383 -4.702 1.00 0.00 C ATOM 44 OG SER A 5 16.853 -9.108 -4.879 1.00 0.00 O ATOM 0 H SER A 5 14.828 -7.012 -6.980 1.00 0.00 H new ATOM 0 HA SER A 5 14.675 -9.800 -5.992 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.856 -7.313 -4.721 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.224 -8.608 -3.723 1.00 0.00 H new ATOM 0 HG SER A 5 17.486 -8.868 -4.171 1.00 0.00 H new ATOM 50 N SER A 6 12.749 -9.101 -4.309 1.00 0.00 N ATOM 51 CA SER A 6 11.418 -8.868 -3.764 1.00 0.00 C ATOM 52 C SER A 6 11.378 -9.184 -2.272 1.00 0.00 C ATOM 53 O SER A 6 11.736 -10.283 -1.850 1.00 0.00 O ATOM 54 CB SER A 6 10.385 -9.720 -4.505 1.00 0.00 C ATOM 55 OG SER A 6 10.627 -9.716 -5.901 1.00 0.00 O ATOM 0 H SER A 6 13.267 -9.851 -3.851 1.00 0.00 H new ATOM 0 HA SER A 6 11.176 -7.814 -3.901 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.417 -10.743 -4.130 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.384 -9.338 -4.305 1.00 0.00 H new ATOM 0 HG SER A 6 9.954 -10.269 -6.351 1.00 0.00 H new ATOM 61 N GLY A 7 10.939 -8.213 -1.479 1.00 0.00 N ATOM 62 CA GLY A 7 10.860 -8.406 -0.043 1.00 0.00 C ATOM 63 C GLY A 7 11.179 -7.142 0.731 1.00 0.00 C ATOM 64 O GLY A 7 12.224 -7.049 1.375 1.00 0.00 O ATOM 0 H GLY A 7 10.636 -7.295 -1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.858 -8.746 0.220 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.552 -9.194 0.253 1.00 0.00 H new ATOM 68 N LEU A 8 10.277 -6.169 0.668 1.00 0.00 N ATOM 69 CA LEU A 8 10.468 -4.903 1.367 1.00 0.00 C ATOM 70 C LEU A 8 10.292 -5.082 2.872 1.00 0.00 C ATOM 71 O LEU A 8 10.220 -6.205 3.369 1.00 0.00 O ATOM 72 CB LEU A 8 9.482 -3.855 0.847 1.00 0.00 C ATOM 73 CG LEU A 8 9.350 -3.792 -0.678 1.00 0.00 C ATOM 74 CD1 LEU A 8 7.950 -4.202 -1.113 1.00 0.00 C ATOM 75 CD2 LEU A 8 9.679 -2.397 -1.187 1.00 0.00 C ATOM 0 H LEU A 8 9.406 -6.232 0.140 1.00 0.00 H new ATOM 0 HA LEU A 8 11.485 -4.560 1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.500 -4.058 1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.791 -2.875 1.211 1.00 0.00 H new ATOM 0 HG LEU A 8 10.063 -4.493 -1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.877 -4.151 -2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.751 -5.222 -0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.219 -3.528 -0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.579 -2.373 -2.272 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.992 -1.676 -0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.702 -2.141 -0.911 1.00 0.00 H new ATOM 87 N ARG A 9 10.223 -3.966 3.592 1.00 0.00 N ATOM 88 CA ARG A 9 10.056 -4.001 5.040 1.00 0.00 C ATOM 89 C ARG A 9 8.983 -3.014 5.489 1.00 0.00 C ATOM 90 O ARG A 9 8.843 -1.932 4.919 1.00 0.00 O ATOM 91 CB ARG A 9 11.381 -3.684 5.736 1.00 0.00 C ATOM 92 CG ARG A 9 12.047 -2.416 5.227 1.00 0.00 C ATOM 93 CD ARG A 9 13.538 -2.618 5.003 1.00 0.00 C ATOM 94 NE ARG A 9 13.809 -3.744 4.113 1.00 0.00 N ATOM 95 CZ ARG A 9 15.016 -4.036 3.634 1.00 0.00 C ATOM 96 NH1 ARG A 9 16.065 -3.288 3.956 1.00 0.00 N ATOM 97 NH2 ARG A 9 15.175 -5.078 2.830 1.00 0.00 N ATOM 0 H ARG A 9 10.280 -3.028 3.196 1.00 0.00 H new ATOM 0 HA ARG A 9 9.739 -5.006 5.319 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.205 -3.587 6.807 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.063 -4.523 5.600 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.577 -2.107 4.293 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.892 -1.610 5.944 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.968 -1.710 4.580 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.029 -2.787 5.961 1.00 0.00 H new ATOM 0 HE ARG A 9 13.028 -4.341 3.843 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.948 -2.485 4.574 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.987 -3.517 3.586 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.373 -5.655 2.579 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.100 -5.302 2.463 1.00 0.00 H new ATOM 111 N LEU A 10 8.229 -3.394 6.516 1.00 0.00 N ATOM 112 CA LEU A 10 7.169 -2.544 7.043 1.00 0.00 C ATOM 113 C LEU A 10 7.746 -1.259 7.630 1.00 0.00 C ATOM 114 O LEU A 10 8.632 -1.297 8.484 1.00 0.00 O ATOM 115 CB LEU A 10 6.371 -3.292 8.112 1.00 0.00 C ATOM 116 CG LEU A 10 5.689 -4.575 7.630 1.00 0.00 C ATOM 117 CD1 LEU A 10 5.897 -5.702 8.630 1.00 0.00 C ATOM 118 CD2 LEU A 10 4.204 -4.335 7.398 1.00 0.00 C ATOM 0 H LEU A 10 8.333 -4.286 7.000 1.00 0.00 H new ATOM 0 HA LEU A 10 6.504 -2.282 6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.040 -3.541 8.936 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.610 -2.622 8.511 1.00 0.00 H new ATOM 0 HG LEU A 10 6.143 -4.869 6.684 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.404 -6.605 8.269 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.964 -5.893 8.747 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.472 -5.417 9.593 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.735 -5.258 7.056 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.737 -4.015 8.330 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.074 -3.560 6.642 1.00 0.00 H new ATOM 130 N GLY A 11 7.237 -0.122 7.165 1.00 0.00 N ATOM 131 CA GLY A 11 7.713 1.158 7.655 1.00 0.00 C ATOM 132 C GLY A 11 8.731 1.792 6.725 1.00 0.00 C ATOM 133 O GLY A 11 9.772 2.275 7.171 1.00 0.00 O ATOM 0 H GLY A 11 6.504 -0.065 6.458 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.867 1.834 7.778 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.159 1.023 8.640 1.00 0.00 H new ATOM 137 N ASP A 12 8.428 1.792 5.431 1.00 0.00 N ATOM 138 CA ASP A 12 9.322 2.371 4.437 1.00 0.00 C ATOM 139 C ASP A 12 8.535 3.130 3.373 1.00 0.00 C ATOM 140 O ASP A 12 7.550 2.622 2.837 1.00 0.00 O ATOM 141 CB ASP A 12 10.169 1.276 3.783 1.00 0.00 C ATOM 142 CG ASP A 12 11.653 1.580 3.840 1.00 0.00 C ATOM 143 OD1 ASP A 12 12.223 1.552 4.951 1.00 0.00 O ATOM 144 OD2 ASP A 12 12.246 1.847 2.774 1.00 0.00 O ATOM 0 H ASP A 12 7.570 1.397 5.047 1.00 0.00 H new ATOM 0 HA ASP A 12 9.982 3.075 4.943 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.976 0.326 4.281 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.865 1.158 2.743 1.00 0.00 H new ATOM 149 N ARG A 13 8.974 4.346 3.073 1.00 0.00 N ATOM 150 CA ARG A 13 8.309 5.174 2.073 1.00 0.00 C ATOM 151 C ARG A 13 8.542 4.623 0.671 1.00 0.00 C ATOM 152 O ARG A 13 9.684 4.484 0.230 1.00 0.00 O ATOM 153 CB ARG A 13 8.810 6.617 2.157 1.00 0.00 C ATOM 154 CG ARG A 13 7.817 7.637 1.624 1.00 0.00 C ATOM 155 CD ARG A 13 7.850 8.923 2.433 1.00 0.00 C ATOM 156 NE ARG A 13 6.744 9.000 3.384 1.00 0.00 N ATOM 157 CZ ARG A 13 6.575 10.000 4.246 1.00 0.00 C ATOM 158 NH1 ARG A 13 7.437 11.009 4.280 1.00 0.00 N ATOM 159 NH2 ARG A 13 5.542 9.992 5.077 1.00 0.00 N ATOM 0 H ARG A 13 9.788 4.781 3.508 1.00 0.00 H new ATOM 0 HA ARG A 13 7.239 5.158 2.278 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.039 6.854 3.196 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.742 6.703 1.598 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.044 7.856 0.581 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.812 7.216 1.650 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.796 8.989 2.971 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.807 9.777 1.758 1.00 0.00 H new ATOM 0 HE ARG A 13 6.061 8.243 3.388 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.234 11.021 3.643 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.302 11.773 4.943 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.876 9.219 5.056 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.413 10.758 5.737 1.00 0.00 H new ATOM 173 N VAL A 14 7.455 4.311 -0.026 1.00 0.00 N ATOM 174 CA VAL A 14 7.541 3.776 -1.379 1.00 0.00 C ATOM 175 C VAL A 14 6.710 4.604 -2.352 1.00 0.00 C ATOM 176 O VAL A 14 5.929 5.464 -1.942 1.00 0.00 O ATOM 177 CB VAL A 14 7.066 2.312 -1.435 1.00 0.00 C ATOM 178 CG1 VAL A 14 8.049 1.403 -0.714 1.00 0.00 C ATOM 179 CG2 VAL A 14 5.672 2.181 -0.840 1.00 0.00 C ATOM 0 H VAL A 14 6.503 4.420 0.324 1.00 0.00 H new ATOM 0 HA VAL A 14 8.590 3.822 -1.671 1.00 0.00 H new ATOM 0 HB VAL A 14 7.021 2.003 -2.479 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.696 0.373 -0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 14 9.027 1.475 -1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.129 1.708 0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.352 1.140 -0.888 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.688 2.508 0.200 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.976 2.801 -1.405 1.00 0.00 H new ATOM 189 N LEU A 15 6.884 4.341 -3.643 1.00 0.00 N ATOM 190 CA LEU A 15 6.149 5.063 -4.676 1.00 0.00 C ATOM 191 C LEU A 15 5.115 4.159 -5.340 1.00 0.00 C ATOM 192 O LEU A 15 5.424 3.036 -5.742 1.00 0.00 O ATOM 193 CB LEU A 15 7.116 5.612 -5.727 1.00 0.00 C ATOM 194 CG LEU A 15 6.682 6.924 -6.383 1.00 0.00 C ATOM 195 CD1 LEU A 15 6.582 8.035 -5.347 1.00 0.00 C ATOM 196 CD2 LEU A 15 7.652 7.310 -7.490 1.00 0.00 C ATOM 0 H LEU A 15 7.527 3.634 -3.999 1.00 0.00 H new ATOM 0 HA LEU A 15 5.626 5.895 -4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.090 5.761 -5.260 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.248 4.860 -6.505 1.00 0.00 H new ATOM 0 HG LEU A 15 5.695 6.779 -6.823 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.272 8.960 -5.834 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.849 7.761 -4.589 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.554 8.181 -4.875 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.329 8.246 -7.947 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.650 7.436 -7.071 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.672 6.525 -8.246 1.00 0.00 H new ATOM 208 N VAL A 16 3.887 4.655 -5.451 1.00 0.00 N ATOM 209 CA VAL A 16 2.807 3.893 -6.064 1.00 0.00 C ATOM 210 C VAL A 16 2.401 4.495 -7.406 1.00 0.00 C ATOM 211 O VAL A 16 1.703 5.508 -7.457 1.00 0.00 O ATOM 212 CB VAL A 16 1.571 3.832 -5.148 1.00 0.00 C ATOM 213 CG1 VAL A 16 0.534 2.871 -5.709 1.00 0.00 C ATOM 214 CG2 VAL A 16 1.972 3.429 -3.737 1.00 0.00 C ATOM 0 H VAL A 16 3.616 5.582 -5.124 1.00 0.00 H new ATOM 0 HA VAL A 16 3.184 2.882 -6.221 1.00 0.00 H new ATOM 0 HB VAL A 16 1.125 4.826 -5.106 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.331 2.842 -5.047 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.223 3.208 -6.698 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.966 1.873 -5.785 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.086 3.391 -3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.444 2.447 -3.759 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.674 4.160 -3.335 1.00 0.00 H new ATOM 224 N GLY A 17 2.842 3.865 -8.490 1.00 0.00 N ATOM 225 CA GLY A 17 2.513 4.353 -9.817 1.00 0.00 C ATOM 226 C GLY A 17 3.607 5.223 -10.405 1.00 0.00 C ATOM 227 O GLY A 17 3.758 5.302 -11.624 1.00 0.00 O ATOM 0 H GLY A 17 3.421 3.026 -8.473 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.333 3.505 -10.478 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.585 4.923 -9.771 1.00 0.00 H new ATOM 231 N GLY A 18 4.370 5.878 -9.536 1.00 0.00 N ATOM 232 CA GLY A 18 5.445 6.739 -9.995 1.00 0.00 C ATOM 233 C GLY A 18 5.187 8.202 -9.691 1.00 0.00 C ATOM 234 O GLY A 18 5.645 9.085 -10.415 1.00 0.00 O ATOM 0 H GLY A 18 4.263 5.828 -8.523 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.378 6.432 -9.523 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.574 6.612 -11.070 1.00 0.00 H new ATOM 238 N THR A 19 4.449 8.457 -8.614 1.00 0.00 N ATOM 239 CA THR A 19 4.127 9.822 -8.214 1.00 0.00 C ATOM 240 C THR A 19 3.504 9.845 -6.822 1.00 0.00 C ATOM 241 O THR A 19 3.892 10.645 -5.970 1.00 0.00 O ATOM 242 CB THR A 19 3.174 10.461 -9.224 1.00 0.00 C ATOM 243 OG1 THR A 19 2.362 9.478 -9.840 1.00 0.00 O ATOM 244 CG2 THR A 19 3.886 11.222 -10.321 1.00 0.00 C ATOM 0 H THR A 19 4.063 7.736 -8.004 1.00 0.00 H new ATOM 0 HA THR A 19 5.053 10.396 -8.188 1.00 0.00 H new ATOM 0 HB THR A 19 2.573 11.164 -8.648 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.758 9.907 -10.482 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.151 11.650 -11.003 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.482 12.022 -9.881 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.539 10.543 -10.870 1.00 0.00 H new ATOM 252 N LYS A 20 2.536 8.964 -6.599 1.00 0.00 N ATOM 253 CA LYS A 20 1.857 8.881 -5.311 1.00 0.00 C ATOM 254 C LYS A 20 2.780 8.295 -4.247 1.00 0.00 C ATOM 255 O LYS A 20 3.045 7.093 -4.235 1.00 0.00 O ATOM 256 CB LYS A 20 0.592 8.029 -5.432 1.00 0.00 C ATOM 257 CG LYS A 20 -0.336 8.472 -6.551 1.00 0.00 C ATOM 258 CD LYS A 20 -0.983 7.282 -7.242 1.00 0.00 C ATOM 259 CE LYS A 20 -2.314 6.922 -6.601 1.00 0.00 C ATOM 260 NZ LYS A 20 -2.153 5.913 -5.518 1.00 0.00 N ATOM 0 H LYS A 20 2.203 8.296 -7.294 1.00 0.00 H new ATOM 0 HA LYS A 20 1.579 9.891 -5.009 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.878 6.991 -5.599 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.050 8.063 -4.487 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.110 9.124 -6.147 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.225 9.057 -7.280 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.136 7.511 -8.297 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.312 6.424 -7.196 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.776 7.821 -6.194 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.990 6.533 -7.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.005 5.904 -4.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.015 4.972 -5.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.326 6.157 -4.936 1.00 0.00 H new ATOM 274 N THR A 21 3.267 9.153 -3.356 1.00 0.00 N ATOM 275 CA THR A 21 4.160 8.720 -2.288 1.00 0.00 C ATOM 276 C THR A 21 3.368 8.225 -1.082 1.00 0.00 C ATOM 277 O THR A 21 2.421 8.873 -0.640 1.00 0.00 O ATOM 278 CB THR A 21 5.081 9.867 -1.870 1.00 0.00 C ATOM 279 OG1 THR A 21 4.327 11.003 -1.488 1.00 0.00 O ATOM 280 CG2 THR A 21 6.037 10.296 -2.963 1.00 0.00 C ATOM 0 H THR A 21 3.058 10.151 -3.353 1.00 0.00 H new ATOM 0 HA THR A 21 4.764 7.895 -2.666 1.00 0.00 H new ATOM 0 HB THR A 21 5.662 9.480 -1.033 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.513 10.715 -1.024 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.661 11.113 -2.601 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.669 9.454 -3.245 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.470 10.631 -3.832 1.00 0.00 H new ATOM 288 N GLY A 22 3.763 7.070 -0.556 1.00 0.00 N ATOM 289 CA GLY A 22 3.079 6.506 0.594 1.00 0.00 C ATOM 290 C GLY A 22 3.941 5.518 1.354 1.00 0.00 C ATOM 291 O GLY A 22 4.804 4.860 0.773 1.00 0.00 O ATOM 0 H GLY A 22 4.544 6.515 -0.905 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.777 7.311 1.264 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.167 6.009 0.263 1.00 0.00 H new ATOM 295 N VAL A 23 3.708 5.414 2.659 1.00 0.00 N ATOM 296 CA VAL A 23 4.470 4.500 3.502 1.00 0.00 C ATOM 297 C VAL A 23 3.811 3.125 3.554 1.00 0.00 C ATOM 298 O VAL A 23 2.593 3.014 3.687 1.00 0.00 O ATOM 299 CB VAL A 23 4.612 5.043 4.935 1.00 0.00 C ATOM 300 CG1 VAL A 23 5.571 4.181 5.741 1.00 0.00 C ATOM 301 CG2 VAL A 23 5.075 6.492 4.913 1.00 0.00 C ATOM 0 H VAL A 23 2.997 5.952 3.155 1.00 0.00 H new ATOM 0 HA VAL A 23 5.461 4.410 3.057 1.00 0.00 H new ATOM 0 HB VAL A 23 3.635 5.005 5.417 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.658 4.581 6.751 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.192 3.160 5.786 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.551 4.183 5.264 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.170 6.859 5.935 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.041 6.558 4.413 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.346 7.099 4.376 1.00 0.00 H new ATOM 311 N VAL A 24 4.625 2.080 3.449 1.00 0.00 N ATOM 312 CA VAL A 24 4.121 0.712 3.485 1.00 0.00 C ATOM 313 C VAL A 24 3.564 0.368 4.862 1.00 0.00 C ATOM 314 O VAL A 24 4.242 0.532 5.875 1.00 0.00 O ATOM 315 CB VAL A 24 5.222 -0.303 3.120 1.00 0.00 C ATOM 316 CG1 VAL A 24 4.636 -1.698 2.975 1.00 0.00 C ATOM 317 CG2 VAL A 24 5.935 0.119 1.844 1.00 0.00 C ATOM 0 H VAL A 24 5.636 2.154 3.338 1.00 0.00 H new ATOM 0 HA VAL A 24 3.322 0.650 2.747 1.00 0.00 H new ATOM 0 HB VAL A 24 5.953 -0.324 3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.428 -2.401 2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.176 -1.999 3.916 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.882 -1.696 2.187 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.709 -0.609 1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.217 0.171 1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.391 1.098 1.989 1.00 0.00 H new ATOM 327 N ARG A 25 2.325 -0.110 4.890 1.00 0.00 N ATOM 328 CA ARG A 25 1.673 -0.478 6.142 1.00 0.00 C ATOM 329 C ARG A 25 1.514 -1.993 6.251 1.00 0.00 C ATOM 330 O ARG A 25 1.468 -2.542 7.351 1.00 0.00 O ATOM 331 CB ARG A 25 0.305 0.197 6.248 1.00 0.00 C ATOM 332 CG ARG A 25 0.382 1.710 6.374 1.00 0.00 C ATOM 333 CD ARG A 25 0.741 2.133 7.789 1.00 0.00 C ATOM 334 NE ARG A 25 1.374 3.450 7.823 1.00 0.00 N ATOM 335 CZ ARG A 25 1.464 4.201 8.917 1.00 0.00 C ATOM 336 NH1 ARG A 25 0.964 3.772 10.070 1.00 0.00 N ATOM 337 NH2 ARG A 25 2.056 5.386 8.861 1.00 0.00 N ATOM 0 H ARG A 25 1.751 -0.252 4.059 1.00 0.00 H new ATOM 0 HA ARG A 25 2.304 -0.137 6.963 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.285 -0.056 5.367 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.223 -0.205 7.112 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.126 2.097 5.678 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.576 2.149 6.094 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.160 2.148 8.402 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.414 1.396 8.228 1.00 0.00 H new ATOM 0 HE ARG A 25 1.770 3.815 6.957 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.507 2.861 10.121 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.037 4.353 10.905 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.442 5.722 7.979 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.125 5.962 9.700 1.00 0.00 H new ATOM 351 N TYR A 26 1.429 -2.661 5.105 1.00 0.00 N ATOM 352 CA TYR A 26 1.276 -4.109 5.074 1.00 0.00 C ATOM 353 C TYR A 26 2.280 -4.742 4.117 1.00 0.00 C ATOM 354 O TYR A 26 2.643 -4.148 3.101 1.00 0.00 O ATOM 355 CB TYR A 26 -0.148 -4.484 4.656 1.00 0.00 C ATOM 356 CG TYR A 26 -0.689 -5.703 5.369 1.00 0.00 C ATOM 357 CD1 TYR A 26 -0.655 -5.795 6.754 1.00 0.00 C ATOM 358 CD2 TYR A 26 -1.234 -6.763 4.654 1.00 0.00 C ATOM 359 CE1 TYR A 26 -1.149 -6.907 7.408 1.00 0.00 C ATOM 360 CE2 TYR A 26 -1.730 -7.879 5.300 1.00 0.00 C ATOM 361 CZ TYR A 26 -1.685 -7.946 6.677 1.00 0.00 C ATOM 362 OH TYR A 26 -2.178 -9.056 7.324 1.00 0.00 O ATOM 0 H TYR A 26 1.464 -2.221 4.185 1.00 0.00 H new ATOM 0 HA TYR A 26 1.466 -4.490 6.077 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.808 -3.638 4.848 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.166 -4.665 3.581 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.235 -4.983 7.330 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.270 -6.713 3.576 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.116 -6.962 8.486 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.151 -8.694 4.730 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.520 -9.694 6.664 1.00 0.00 H new ATOM 372 N VAL A 27 2.727 -5.948 4.448 1.00 0.00 N ATOM 373 CA VAL A 27 3.690 -6.660 3.618 1.00 0.00 C ATOM 374 C VAL A 27 3.483 -8.168 3.708 1.00 0.00 C ATOM 375 O VAL A 27 3.840 -8.796 4.704 1.00 0.00 O ATOM 376 CB VAL A 27 5.138 -6.324 4.026 1.00 0.00 C ATOM 377 CG1 VAL A 27 6.129 -6.966 3.067 1.00 0.00 C ATOM 378 CG2 VAL A 27 5.341 -4.818 4.086 1.00 0.00 C ATOM 0 H VAL A 27 2.438 -6.453 5.286 1.00 0.00 H new ATOM 0 HA VAL A 27 3.526 -6.335 2.591 1.00 0.00 H new ATOM 0 HB VAL A 27 5.318 -6.731 5.021 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.145 -6.716 3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.001 -8.048 3.082 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.952 -6.594 2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.369 -4.601 4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.141 -4.385 3.106 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.659 -4.388 4.819 1.00 0.00 H new ATOM 388 N GLY A 28 2.904 -8.743 2.658 1.00 0.00 N ATOM 389 CA GLY A 28 2.658 -10.173 2.637 1.00 0.00 C ATOM 390 C GLY A 28 1.603 -10.566 1.623 1.00 0.00 C ATOM 391 O GLY A 28 1.424 -9.889 0.611 1.00 0.00 O ATOM 0 H GLY A 28 2.601 -8.244 1.822 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.588 -10.695 2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.343 -10.499 3.628 1.00 0.00 H new ATOM 395 N GLU A 29 0.903 -11.662 1.894 1.00 0.00 N ATOM 396 CA GLU A 29 -0.140 -12.144 0.996 1.00 0.00 C ATOM 397 C GLU A 29 -1.515 -11.664 1.452 1.00 0.00 C ATOM 398 O GLU A 29 -1.660 -11.114 2.543 1.00 0.00 O ATOM 399 CB GLU A 29 -0.118 -13.671 0.925 1.00 0.00 C ATOM 400 CG GLU A 29 1.276 -14.251 0.736 1.00 0.00 C ATOM 401 CD GLU A 29 1.702 -15.136 1.891 1.00 0.00 C ATOM 402 OE1 GLU A 29 1.120 -16.231 2.047 1.00 0.00 O ATOM 403 OE2 GLU A 29 2.618 -14.736 2.638 1.00 0.00 O ATOM 0 H GLU A 29 1.039 -12.233 2.728 1.00 0.00 H new ATOM 0 HA GLU A 29 0.056 -11.739 0.003 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.550 -14.075 1.840 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.753 -13.997 0.102 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.303 -14.828 -0.188 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.992 -13.437 0.624 1.00 0.00 H new ATOM 410 N THR A 30 -2.520 -11.878 0.609 1.00 0.00 N ATOM 411 CA THR A 30 -3.884 -11.467 0.924 1.00 0.00 C ATOM 412 C THR A 30 -4.837 -12.656 0.851 1.00 0.00 C ATOM 413 O THR A 30 -4.428 -13.775 0.545 1.00 0.00 O ATOM 414 CB THR A 30 -4.344 -10.370 -0.036 1.00 0.00 C ATOM 415 OG1 THR A 30 -3.840 -10.601 -1.340 1.00 0.00 O ATOM 416 CG2 THR A 30 -3.906 -8.984 0.386 1.00 0.00 C ATOM 0 H THR A 30 -2.416 -12.334 -0.298 1.00 0.00 H new ATOM 0 HA THR A 30 -3.895 -11.075 1.941 1.00 0.00 H new ATOM 0 HB THR A 30 -5.433 -10.410 -0.021 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.340 -11.332 -1.759 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.265 -8.253 -0.338 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.319 -8.755 1.368 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.818 -8.945 0.432 1.00 0.00 H new ATOM 424 N ASP A 31 -6.111 -12.404 1.134 1.00 0.00 N ATOM 425 CA ASP A 31 -7.123 -13.453 1.101 1.00 0.00 C ATOM 426 C ASP A 31 -8.014 -13.311 -0.130 1.00 0.00 C ATOM 427 O ASP A 31 -8.487 -14.303 -0.684 1.00 0.00 O ATOM 428 CB ASP A 31 -7.976 -13.409 2.370 1.00 0.00 C ATOM 429 CG ASP A 31 -7.408 -14.276 3.476 1.00 0.00 C ATOM 430 OD1 ASP A 31 -6.527 -13.792 4.218 1.00 0.00 O ATOM 431 OD2 ASP A 31 -7.844 -15.440 3.602 1.00 0.00 O ATOM 0 H ASP A 31 -6.467 -11.483 1.389 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.612 -14.414 1.049 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.049 -12.379 2.720 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.988 -13.739 2.136 1.00 0.00 H new ATOM 436 N PHE A 32 -8.236 -12.071 -0.553 1.00 0.00 N ATOM 437 CA PHE A 32 -9.070 -11.799 -1.718 1.00 0.00 C ATOM 438 C PHE A 32 -8.309 -12.085 -3.009 1.00 0.00 C ATOM 439 O PHE A 32 -8.864 -12.636 -3.960 1.00 0.00 O ATOM 440 CB PHE A 32 -9.544 -10.345 -1.705 1.00 0.00 C ATOM 441 CG PHE A 32 -8.436 -9.354 -1.485 1.00 0.00 C ATOM 442 CD1 PHE A 32 -7.618 -8.966 -2.533 1.00 0.00 C ATOM 443 CD2 PHE A 32 -8.213 -8.812 -0.229 1.00 0.00 C ATOM 444 CE1 PHE A 32 -6.598 -8.055 -2.333 1.00 0.00 C ATOM 445 CE2 PHE A 32 -7.195 -7.902 -0.023 1.00 0.00 C ATOM 446 CZ PHE A 32 -6.386 -7.522 -1.077 1.00 0.00 C ATOM 0 H PHE A 32 -7.850 -11.239 -0.107 1.00 0.00 H new ATOM 0 HA PHE A 32 -9.938 -12.457 -1.674 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.036 -10.123 -2.652 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.291 -10.222 -0.921 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.779 -9.380 -3.517 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.843 -9.105 0.598 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.967 -7.760 -3.159 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.031 -7.488 0.961 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.590 -6.810 -0.919 1.00 0.00 H new ATOM 456 N ALA A 33 -7.034 -11.710 -3.035 1.00 0.00 N ATOM 457 CA ALA A 33 -6.196 -11.927 -4.208 1.00 0.00 C ATOM 458 C ALA A 33 -4.958 -12.744 -3.855 1.00 0.00 C ATOM 459 O ALA A 33 -4.404 -12.610 -2.764 1.00 0.00 O ATOM 460 CB ALA A 33 -5.793 -10.594 -4.821 1.00 0.00 C ATOM 0 H ALA A 33 -6.559 -11.254 -2.256 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.775 -12.491 -4.939 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.167 -10.770 -5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.687 -10.045 -5.118 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.236 -10.010 -4.088 1.00 0.00 H new ATOM 466 N LYS A 34 -4.529 -13.590 -4.786 1.00 0.00 N ATOM 467 CA LYS A 34 -3.356 -14.429 -4.573 1.00 0.00 C ATOM 468 C LYS A 34 -2.072 -13.630 -4.774 1.00 0.00 C ATOM 469 O LYS A 34 -2.109 -12.413 -4.957 1.00 0.00 O ATOM 470 CB LYS A 34 -3.383 -15.629 -5.523 1.00 0.00 C ATOM 471 CG LYS A 34 -3.226 -16.967 -4.818 1.00 0.00 C ATOM 472 CD LYS A 34 -4.502 -17.371 -4.095 1.00 0.00 C ATOM 473 CE LYS A 34 -4.235 -17.712 -2.637 1.00 0.00 C ATOM 474 NZ LYS A 34 -5.381 -18.433 -2.016 1.00 0.00 N ATOM 0 H LYS A 34 -4.976 -13.712 -5.695 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.378 -14.790 -3.545 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.324 -15.626 -6.073 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.585 -15.519 -6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.961 -17.734 -5.546 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.405 -16.909 -4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.226 -16.559 -4.153 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.947 -18.231 -4.595 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.338 -18.327 -2.567 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.038 -16.796 -2.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.159 -18.647 -1.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.232 -17.836 -2.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.553 -19.320 -2.531 1.00 0.00 H new ATOM 488 N GLY A 35 -0.938 -14.321 -4.740 1.00 0.00 N ATOM 489 CA GLY A 35 0.340 -13.660 -4.919 1.00 0.00 C ATOM 490 C GLY A 35 0.747 -12.847 -3.705 1.00 0.00 C ATOM 491 O GLY A 35 0.458 -13.227 -2.570 1.00 0.00 O ATOM 0 H GLY A 35 -0.882 -15.329 -4.591 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.106 -14.407 -5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.289 -13.006 -5.790 1.00 0.00 H new ATOM 495 N GLU A 36 1.419 -11.725 -3.944 1.00 0.00 N ATOM 496 CA GLU A 36 1.867 -10.858 -2.861 1.00 0.00 C ATOM 497 C GLU A 36 1.377 -9.429 -3.069 1.00 0.00 C ATOM 498 O GLU A 36 1.417 -8.905 -4.182 1.00 0.00 O ATOM 499 CB GLU A 36 3.394 -10.878 -2.761 1.00 0.00 C ATOM 500 CG GLU A 36 3.910 -10.908 -1.332 1.00 0.00 C ATOM 501 CD GLU A 36 4.195 -12.315 -0.844 1.00 0.00 C ATOM 502 OE1 GLU A 36 4.456 -13.195 -1.691 1.00 0.00 O ATOM 503 OE2 GLU A 36 4.156 -12.536 0.385 1.00 0.00 O ATOM 0 H GLU A 36 1.665 -11.396 -4.878 1.00 0.00 H new ATOM 0 HA GLU A 36 1.445 -11.235 -1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.773 -11.750 -3.294 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.794 -9.998 -3.265 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.821 -10.313 -1.266 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.176 -10.441 -0.675 1.00 0.00 H new ATOM 510 N TRP A 37 0.914 -8.804 -1.992 1.00 0.00 N ATOM 511 CA TRP A 37 0.416 -7.435 -2.056 1.00 0.00 C ATOM 512 C TRP A 37 0.940 -6.611 -0.884 1.00 0.00 C ATOM 513 O TRP A 37 1.173 -7.137 0.203 1.00 0.00 O ATOM 514 CB TRP A 37 -1.114 -7.427 -2.055 1.00 0.00 C ATOM 515 CG TRP A 37 -1.711 -8.135 -3.232 1.00 0.00 C ATOM 516 CD1 TRP A 37 -1.672 -9.475 -3.488 1.00 0.00 C ATOM 517 CD2 TRP A 37 -2.439 -7.540 -4.313 1.00 0.00 C ATOM 518 NE1 TRP A 37 -2.331 -9.750 -4.662 1.00 0.00 N ATOM 519 CE2 TRP A 37 -2.809 -8.579 -5.188 1.00 0.00 C ATOM 520 CE3 TRP A 37 -2.812 -6.230 -4.626 1.00 0.00 C ATOM 521 CZ2 TRP A 37 -3.535 -8.347 -6.353 1.00 0.00 C ATOM 522 CZ3 TRP A 37 -3.533 -6.001 -5.783 1.00 0.00 C ATOM 523 CH2 TRP A 37 -3.888 -7.056 -6.634 1.00 0.00 C ATOM 0 H TRP A 37 0.873 -9.224 -1.063 1.00 0.00 H new ATOM 0 HA TRP A 37 0.775 -6.987 -2.982 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.472 -7.895 -1.138 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.465 -6.395 -2.044 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.193 -10.212 -2.860 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.446 -10.676 -5.075 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.542 -5.411 -3.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.810 -9.158 -7.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.827 -4.993 -6.035 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.452 -6.845 -7.531 1.00 0.00 H new ATOM 534 N CYS A 38 1.124 -5.315 -1.115 1.00 0.00 N ATOM 535 CA CYS A 38 1.621 -4.418 -0.078 1.00 0.00 C ATOM 536 C CYS A 38 0.718 -3.197 0.063 1.00 0.00 C ATOM 537 O CYS A 38 0.514 -2.448 -0.894 1.00 0.00 O ATOM 538 CB CYS A 38 3.050 -3.975 -0.399 1.00 0.00 C ATOM 539 SG CYS A 38 4.328 -5.043 0.306 1.00 0.00 S ATOM 0 H CYS A 38 0.937 -4.863 -2.010 1.00 0.00 H new ATOM 0 HA CYS A 38 1.620 -4.960 0.868 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.175 -3.943 -1.481 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.196 -2.960 -0.031 1.00 0.00 H new ATOM 0 HG CYS A 38 5.455 -4.397 0.356 1.00 0.00 H new ATOM 545 N GLY A 39 0.179 -3.002 1.262 1.00 0.00 N ATOM 546 CA GLY A 39 -0.696 -1.871 1.506 1.00 0.00 C ATOM 547 C GLY A 39 0.070 -0.600 1.815 1.00 0.00 C ATOM 548 O GLY A 39 0.592 -0.434 2.917 1.00 0.00 O ATOM 0 H GLY A 39 0.333 -3.607 2.069 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.326 -1.708 0.632 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.360 -2.103 2.339 1.00 0.00 H new ATOM 552 N VAL A 40 0.140 0.299 0.838 1.00 0.00 N ATOM 553 CA VAL A 40 0.848 1.561 1.010 1.00 0.00 C ATOM 554 C VAL A 40 -0.107 2.675 1.424 1.00 0.00 C ATOM 555 O VAL A 40 -1.191 2.820 0.858 1.00 0.00 O ATOM 556 CB VAL A 40 1.576 1.979 -0.280 1.00 0.00 C ATOM 557 CG1 VAL A 40 2.468 3.185 -0.025 1.00 0.00 C ATOM 558 CG2 VAL A 40 2.386 0.817 -0.836 1.00 0.00 C ATOM 0 H VAL A 40 -0.285 0.176 -0.081 1.00 0.00 H new ATOM 0 HA VAL A 40 1.584 1.404 1.798 1.00 0.00 H new ATOM 0 HB VAL A 40 0.828 2.260 -1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.974 3.465 -0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.860 4.020 0.323 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.210 2.935 0.733 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.894 1.131 -1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.125 0.503 -0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.720 -0.016 -1.060 1.00 0.00 H new ATOM 568 N GLU A 41 0.301 3.460 2.416 1.00 0.00 N ATOM 569 CA GLU A 41 -0.520 4.561 2.907 1.00 0.00 C ATOM 570 C GLU A 41 -0.014 5.897 2.373 1.00 0.00 C ATOM 571 O GLU A 41 0.953 6.457 2.890 1.00 0.00 O ATOM 572 CB GLU A 41 -0.524 4.578 4.437 1.00 0.00 C ATOM 573 CG GLU A 41 -1.460 5.618 5.031 1.00 0.00 C ATOM 574 CD GLU A 41 -0.803 6.439 6.124 1.00 0.00 C ATOM 575 OE1 GLU A 41 0.077 5.897 6.826 1.00 0.00 O ATOM 576 OE2 GLU A 41 -1.167 7.623 6.278 1.00 0.00 O ATOM 0 H GLU A 41 1.195 3.354 2.896 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.539 4.410 2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.811 3.592 4.802 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.489 4.767 4.793 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.806 6.284 4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.341 5.119 5.436 1.00 0.00 H new ATOM 583 N LEU A 42 -0.674 6.403 1.337 1.00 0.00 N ATOM 584 CA LEU A 42 -0.292 7.675 0.734 1.00 0.00 C ATOM 585 C LEU A 42 -0.408 8.813 1.744 1.00 0.00 C ATOM 586 O LEU A 42 -1.061 8.674 2.779 1.00 0.00 O ATOM 587 CB LEU A 42 -1.168 7.969 -0.485 1.00 0.00 C ATOM 588 CG LEU A 42 -1.138 6.900 -1.578 1.00 0.00 C ATOM 589 CD1 LEU A 42 -2.114 7.248 -2.691 1.00 0.00 C ATOM 590 CD2 LEU A 42 0.271 6.745 -2.132 1.00 0.00 C ATOM 0 H LEU A 42 -1.476 5.952 0.897 1.00 0.00 H new ATOM 0 HA LEU A 42 0.748 7.600 0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.198 8.096 -0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.854 8.919 -0.918 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.442 5.950 -1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.079 6.476 -3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.123 7.309 -2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.840 8.208 -3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.274 5.980 -2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.602 7.693 -2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.947 6.450 -1.329 1.00 0.00 H new ATOM 602 N ASP A 43 0.231 9.936 1.437 1.00 0.00 N ATOM 603 CA ASP A 43 0.200 11.098 2.318 1.00 0.00 C ATOM 604 C ASP A 43 -0.955 12.025 1.955 1.00 0.00 C ATOM 605 O ASP A 43 -1.551 12.661 2.824 1.00 0.00 O ATOM 606 CB ASP A 43 1.525 11.860 2.239 1.00 0.00 C ATOM 607 CG ASP A 43 2.620 11.201 3.055 1.00 0.00 C ATOM 608 OD1 ASP A 43 3.029 10.076 2.699 1.00 0.00 O ATOM 609 OD2 ASP A 43 3.067 11.810 4.050 1.00 0.00 O ATOM 0 H ASP A 43 0.777 10.067 0.585 1.00 0.00 H new ATOM 0 HA ASP A 43 0.052 10.745 3.339 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.841 11.926 1.198 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.376 12.880 2.593 1.00 0.00 H new ATOM 614 N GLU A 44 -1.266 12.096 0.664 1.00 0.00 N ATOM 615 CA GLU A 44 -2.351 12.945 0.186 1.00 0.00 C ATOM 616 C GLU A 44 -3.572 12.109 -0.187 1.00 0.00 C ATOM 617 O GLU A 44 -3.442 10.960 -0.610 1.00 0.00 O ATOM 618 CB GLU A 44 -1.890 13.763 -1.022 1.00 0.00 C ATOM 619 CG GLU A 44 -0.645 14.593 -0.756 1.00 0.00 C ATOM 620 CD GLU A 44 0.163 14.850 -2.013 1.00 0.00 C ATOM 621 OE1 GLU A 44 -0.449 15.021 -3.089 1.00 0.00 O ATOM 622 OE2 GLU A 44 1.409 14.879 -1.923 1.00 0.00 O ATOM 0 H GLU A 44 -0.782 11.576 -0.069 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.631 13.624 0.991 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.695 13.087 -1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.699 14.425 -1.332 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.936 15.546 -0.314 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.020 14.080 -0.025 1.00 0.00 H new ATOM 629 N PRO A 45 -4.780 12.677 -0.032 1.00 0.00 N ATOM 630 CA PRO A 45 -6.029 11.976 -0.354 1.00 0.00 C ATOM 631 C PRO A 45 -6.025 11.404 -1.768 1.00 0.00 C ATOM 632 O PRO A 45 -6.447 12.066 -2.715 1.00 0.00 O ATOM 633 CB PRO A 45 -7.095 13.067 -0.221 1.00 0.00 C ATOM 634 CG PRO A 45 -6.507 14.059 0.722 1.00 0.00 C ATOM 635 CD PRO A 45 -5.025 14.042 0.469 1.00 0.00 C ATOM 0 HA PRO A 45 -6.194 11.119 0.299 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.318 13.522 -1.186 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.031 12.661 0.164 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.921 15.053 0.551 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.730 13.794 1.756 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.733 14.797 -0.261 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.460 14.244 1.379 1.00 0.00 H new ATOM 643 N LEU A 46 -5.548 10.171 -1.900 1.00 0.00 N ATOM 644 CA LEU A 46 -5.491 9.510 -3.199 1.00 0.00 C ATOM 645 C LEU A 46 -5.660 8.001 -3.050 1.00 0.00 C ATOM 646 O LEU A 46 -5.138 7.225 -3.850 1.00 0.00 O ATOM 647 CB LEU A 46 -4.163 9.819 -3.895 1.00 0.00 C ATOM 648 CG LEU A 46 -3.974 11.280 -4.306 1.00 0.00 C ATOM 649 CD1 LEU A 46 -2.526 11.545 -4.685 1.00 0.00 C ATOM 650 CD2 LEU A 46 -4.902 11.631 -5.461 1.00 0.00 C ATOM 0 H LEU A 46 -5.196 9.610 -1.125 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.310 9.891 -3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.347 9.536 -3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.082 9.194 -4.784 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.227 11.913 -3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.411 12.590 -4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.882 11.332 -3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.245 10.904 -5.521 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.755 12.674 -5.742 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.679 10.991 -6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.937 11.480 -5.155 1.00 0.00 H new ATOM 662 N GLY A 47 -6.395 7.592 -2.021 1.00 0.00 N ATOM 663 CA GLY A 47 -6.622 6.178 -1.786 1.00 0.00 C ATOM 664 C GLY A 47 -8.044 5.757 -2.100 1.00 0.00 C ATOM 665 O GLY A 47 -8.897 6.597 -2.385 1.00 0.00 O ATOM 0 H GLY A 47 -6.838 8.215 -1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.931 5.596 -2.397 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.400 5.946 -0.744 1.00 0.00 H new ATOM 669 N LYS A 48 -8.298 4.453 -2.048 1.00 0.00 N ATOM 670 CA LYS A 48 -9.628 3.924 -2.329 1.00 0.00 C ATOM 671 C LYS A 48 -10.261 3.343 -1.069 1.00 0.00 C ATOM 672 O LYS A 48 -11.475 3.426 -0.878 1.00 0.00 O ATOM 673 CB LYS A 48 -9.551 2.850 -3.417 1.00 0.00 C ATOM 674 CG LYS A 48 -8.416 1.858 -3.215 1.00 0.00 C ATOM 675 CD LYS A 48 -8.795 0.471 -3.706 1.00 0.00 C ATOM 676 CE LYS A 48 -8.558 0.325 -5.201 1.00 0.00 C ATOM 677 NZ LYS A 48 -9.783 0.629 -5.990 1.00 0.00 N ATOM 0 H LYS A 48 -7.602 3.745 -1.814 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.252 4.746 -2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.496 2.307 -3.447 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.431 3.334 -4.386 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.530 2.204 -3.747 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.155 1.812 -2.158 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.212 -0.278 -3.169 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.844 0.279 -3.482 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.753 0.993 -5.508 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.229 -0.691 -5.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.579 0.518 -7.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.544 -0.025 -5.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.083 1.607 -5.802 1.00 0.00 H new ATOM 691 N ASN A 49 -9.433 2.755 -0.212 1.00 0.00 N ATOM 692 CA ASN A 49 -9.915 2.161 1.030 1.00 0.00 C ATOM 693 C ASN A 49 -9.037 2.574 2.208 1.00 0.00 C ATOM 694 O ASN A 49 -7.973 3.164 2.025 1.00 0.00 O ATOM 695 CB ASN A 49 -9.946 0.637 0.911 1.00 0.00 C ATOM 696 CG ASN A 49 -11.197 0.136 0.216 1.00 0.00 C ATOM 697 OD1 ASN A 49 -12.274 0.086 0.812 1.00 0.00 O ATOM 698 ND2 ASN A 49 -11.062 -0.237 -1.050 1.00 0.00 N ATOM 0 H ASN A 49 -8.426 2.677 -0.354 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.926 2.525 1.210 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.068 0.301 0.360 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -9.886 0.196 1.906 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.870 -0.582 -1.569 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.151 -0.179 -1.504 1.00 0.00 H new ATOM 705 N ASP A 50 -9.490 2.257 3.416 1.00 0.00 N ATOM 706 CA ASP A 50 -8.746 2.594 4.624 1.00 0.00 C ATOM 707 C ASP A 50 -7.971 1.385 5.139 1.00 0.00 C ATOM 708 O ASP A 50 -7.841 1.188 6.348 1.00 0.00 O ATOM 709 CB ASP A 50 -9.698 3.103 5.710 1.00 0.00 C ATOM 710 CG ASP A 50 -10.725 2.065 6.113 1.00 0.00 C ATOM 711 OD1 ASP A 50 -10.996 1.152 5.305 1.00 0.00 O ATOM 712 OD2 ASP A 50 -11.261 2.164 7.237 1.00 0.00 O ATOM 0 H ASP A 50 -10.369 1.767 3.585 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.035 3.382 4.375 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.120 3.397 6.586 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.210 3.996 5.351 1.00 0.00 H new ATOM 717 N GLY A 51 -7.458 0.580 4.215 1.00 0.00 N ATOM 718 CA GLY A 51 -6.701 -0.598 4.596 1.00 0.00 C ATOM 719 C GLY A 51 -7.595 -1.754 5.000 1.00 0.00 C ATOM 720 O GLY A 51 -7.202 -2.598 5.805 1.00 0.00 O ATOM 0 H GLY A 51 -7.553 0.722 3.209 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.069 -0.905 3.763 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.038 -0.348 5.424 1.00 0.00 H new ATOM 724 N ALA A 52 -8.800 -1.792 4.440 1.00 0.00 N ATOM 725 CA ALA A 52 -9.751 -2.853 4.748 1.00 0.00 C ATOM 726 C ALA A 52 -10.525 -3.275 3.503 1.00 0.00 C ATOM 727 O ALA A 52 -11.092 -2.440 2.799 1.00 0.00 O ATOM 728 CB ALA A 52 -10.710 -2.399 5.839 1.00 0.00 C ATOM 0 H ALA A 52 -9.140 -1.101 3.771 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.192 -3.717 5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.415 -3.200 6.060 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.147 -2.153 6.739 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.256 -1.518 5.500 1.00 0.00 H new ATOM 734 N VAL A 53 -10.543 -4.577 3.237 1.00 0.00 N ATOM 735 CA VAL A 53 -11.245 -5.111 2.078 1.00 0.00 C ATOM 736 C VAL A 53 -12.126 -6.293 2.465 1.00 0.00 C ATOM 737 O VAL A 53 -11.760 -7.100 3.319 1.00 0.00 O ATOM 738 CB VAL A 53 -10.260 -5.557 0.980 1.00 0.00 C ATOM 739 CG1 VAL A 53 -11.008 -5.945 -0.286 1.00 0.00 C ATOM 740 CG2 VAL A 53 -9.246 -4.461 0.693 1.00 0.00 C ATOM 0 H VAL A 53 -10.079 -5.282 3.810 1.00 0.00 H new ATOM 0 HA VAL A 53 -11.870 -4.307 1.690 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.721 -6.434 1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.295 -6.257 -1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.689 -6.768 -0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.577 -5.089 -0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.559 -4.795 -0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.766 -3.563 0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.685 -4.238 1.600 1.00 0.00 H new ATOM 750 N ALA A 54 -13.291 -6.389 1.831 1.00 0.00 N ATOM 751 CA ALA A 54 -14.225 -7.473 2.109 1.00 0.00 C ATOM 752 C ALA A 54 -14.674 -7.451 3.566 1.00 0.00 C ATOM 753 O ALA A 54 -14.964 -8.492 4.154 1.00 0.00 O ATOM 754 CB ALA A 54 -13.594 -8.815 1.771 1.00 0.00 C ATOM 0 H ALA A 54 -13.610 -5.729 1.122 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.105 -7.329 1.482 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -14.304 -9.615 1.984 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -13.329 -8.837 0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -12.696 -8.957 2.373 1.00 0.00 H new ATOM 760 N GLY A 55 -14.729 -6.254 4.144 1.00 0.00 N ATOM 761 CA GLY A 55 -15.145 -6.118 5.528 1.00 0.00 C ATOM 762 C GLY A 55 -14.090 -6.606 6.500 1.00 0.00 C ATOM 763 O GLY A 55 -14.412 -7.076 7.592 1.00 0.00 O ATOM 0 H GLY A 55 -14.493 -5.377 3.679 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.370 -5.072 5.736 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -16.066 -6.679 5.684 1.00 0.00 H new ATOM 767 N THR A 56 -12.825 -6.495 6.106 1.00 0.00 N ATOM 768 CA THR A 56 -11.720 -6.928 6.953 1.00 0.00 C ATOM 769 C THR A 56 -10.554 -5.949 6.870 1.00 0.00 C ATOM 770 O THR A 56 -9.978 -5.742 5.802 1.00 0.00 O ATOM 771 CB THR A 56 -11.256 -8.327 6.543 1.00 0.00 C ATOM 772 OG1 THR A 56 -12.358 -9.211 6.443 1.00 0.00 O ATOM 773 CG2 THR A 56 -10.265 -8.936 7.512 1.00 0.00 C ATOM 0 H THR A 56 -12.540 -6.109 5.206 1.00 0.00 H new ATOM 0 HA THR A 56 -12.074 -6.956 7.984 1.00 0.00 H new ATOM 0 HB THR A 56 -10.765 -8.198 5.579 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.041 -10.100 6.178 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.977 -9.927 7.163 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.381 -8.302 7.575 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.723 -9.018 8.498 1.00 0.00 H new ATOM 781 N ARG A 57 -10.211 -5.347 8.005 1.00 0.00 N ATOM 782 CA ARG A 57 -9.114 -4.388 8.061 1.00 0.00 C ATOM 783 C ARG A 57 -7.870 -5.020 8.678 1.00 0.00 C ATOM 784 O ARG A 57 -7.950 -5.700 9.701 1.00 0.00 O ATOM 785 CB ARG A 57 -9.528 -3.154 8.865 1.00 0.00 C ATOM 786 CG ARG A 57 -8.441 -2.095 8.957 1.00 0.00 C ATOM 787 CD ARG A 57 -9.015 -0.729 9.300 1.00 0.00 C ATOM 788 NE ARG A 57 -10.004 -0.800 10.374 1.00 0.00 N ATOM 789 CZ ARG A 57 -11.319 -0.899 10.175 1.00 0.00 C ATOM 790 NH1 ARG A 57 -11.814 -0.949 8.944 1.00 0.00 N ATOM 791 NH2 ARG A 57 -12.141 -0.951 11.213 1.00 0.00 N ATOM 0 H ARG A 57 -10.677 -5.507 8.898 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.877 -4.085 7.041 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.415 -2.714 8.409 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.808 -3.464 9.872 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.714 -2.385 9.715 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.907 -2.038 8.008 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.206 -0.061 9.597 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.476 -0.297 8.412 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.667 -0.772 11.336 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.187 -0.912 8.140 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.821 -1.025 8.802 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.768 -0.915 12.162 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.147 -1.027 11.063 1.00 0.00 H new ATOM 805 N TYR A 58 -6.722 -4.790 8.049 1.00 0.00 N ATOM 806 CA TYR A 58 -5.461 -5.336 8.534 1.00 0.00 C ATOM 807 C TYR A 58 -4.708 -4.307 9.370 1.00 0.00 C ATOM 808 O TYR A 58 -4.194 -4.621 10.444 1.00 0.00 O ATOM 809 CB TYR A 58 -4.592 -5.792 7.360 1.00 0.00 C ATOM 810 CG TYR A 58 -5.353 -6.559 6.302 1.00 0.00 C ATOM 811 CD1 TYR A 58 -5.981 -5.897 5.254 1.00 0.00 C ATOM 812 CD2 TYR A 58 -5.447 -7.943 6.355 1.00 0.00 C ATOM 813 CE1 TYR A 58 -6.679 -6.594 4.287 1.00 0.00 C ATOM 814 CE2 TYR A 58 -6.144 -8.648 5.390 1.00 0.00 C ATOM 815 CZ TYR A 58 -6.757 -7.969 4.359 1.00 0.00 C ATOM 816 OH TYR A 58 -7.450 -8.667 3.398 1.00 0.00 O ATOM 0 H TYR A 58 -6.640 -4.229 7.201 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.686 -6.196 9.165 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.130 -4.918 6.901 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.784 -6.418 7.739 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.922 -4.820 5.195 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.969 -8.478 7.162 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.161 -6.065 3.479 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.207 -9.725 5.444 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.407 -9.626 3.595 1.00 0.00 H new ATOM 826 N PHE A 59 -4.648 -3.076 8.871 1.00 0.00 N ATOM 827 CA PHE A 59 -3.958 -2.000 9.574 1.00 0.00 C ATOM 828 C PHE A 59 -4.840 -0.760 9.669 1.00 0.00 C ATOM 829 O PHE A 59 -5.383 -0.293 8.668 1.00 0.00 O ATOM 830 CB PHE A 59 -2.649 -1.656 8.863 1.00 0.00 C ATOM 831 CG PHE A 59 -2.835 -1.225 7.435 1.00 0.00 C ATOM 832 CD1 PHE A 59 -3.007 -2.164 6.432 1.00 0.00 C ATOM 833 CD2 PHE A 59 -2.837 0.119 7.099 1.00 0.00 C ATOM 834 CE1 PHE A 59 -3.179 -1.771 5.118 1.00 0.00 C ATOM 835 CE2 PHE A 59 -3.007 0.518 5.786 1.00 0.00 C ATOM 836 CZ PHE A 59 -3.179 -0.428 4.795 1.00 0.00 C ATOM 0 H PHE A 59 -5.068 -2.799 7.984 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.735 -2.343 10.584 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.146 -0.860 9.411 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.992 -2.525 8.889 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.007 -3.215 6.679 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.704 0.863 7.871 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.313 -2.513 4.345 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.005 1.569 5.536 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.313 -0.118 3.769 1.00 0.00 H new ATOM 846 N GLN A 60 -4.979 -0.231 10.880 1.00 0.00 N ATOM 847 CA GLN A 60 -5.796 0.956 11.107 1.00 0.00 C ATOM 848 C GLN A 60 -5.260 2.145 10.317 1.00 0.00 C ATOM 849 O GLN A 60 -4.062 2.428 10.339 1.00 0.00 O ATOM 850 CB GLN A 60 -5.836 1.296 12.598 1.00 0.00 C ATOM 851 CG GLN A 60 -6.788 2.431 12.938 1.00 0.00 C ATOM 852 CD GLN A 60 -8.229 2.108 12.592 1.00 0.00 C ATOM 853 OE1 GLN A 60 -8.831 1.204 13.171 1.00 0.00 O ATOM 854 NE2 GLN A 60 -8.788 2.848 11.642 1.00 0.00 N ATOM 0 H GLN A 60 -4.537 -0.605 11.719 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.808 0.741 10.763 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.129 0.407 13.157 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.832 1.564 12.928 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.715 2.655 14.002 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.482 3.329 12.402 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.251 3.587 11.189 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.755 2.677 11.365 1.00 0.00 H new ATOM 863 N CYS A 61 -6.156 2.837 9.619 1.00 0.00 N ATOM 864 CA CYS A 61 -5.773 3.996 8.821 1.00 0.00 C ATOM 865 C CYS A 61 -6.999 4.821 8.437 1.00 0.00 C ATOM 866 O CYS A 61 -8.117 4.306 8.399 1.00 0.00 O ATOM 867 CB CYS A 61 -5.029 3.550 7.561 1.00 0.00 C ATOM 868 SG CYS A 61 -3.230 3.507 7.742 1.00 0.00 S ATOM 0 H CYS A 61 -7.151 2.615 9.590 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.112 4.619 9.424 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.379 2.557 7.278 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.285 4.224 6.743 1.00 0.00 H new ATOM 0 HG CYS A 61 -2.922 2.976 8.888 1.00 0.00 H new ATOM 874 N PRO A 62 -6.804 6.118 8.145 1.00 0.00 N ATOM 875 CA PRO A 62 -7.901 7.014 7.762 1.00 0.00 C ATOM 876 C PRO A 62 -8.483 6.663 6.395 1.00 0.00 C ATOM 877 O PRO A 62 -7.848 5.967 5.602 1.00 0.00 O ATOM 878 CB PRO A 62 -7.238 8.394 7.723 1.00 0.00 C ATOM 879 CG PRO A 62 -5.797 8.116 7.475 1.00 0.00 C ATOM 880 CD PRO A 62 -5.504 6.813 8.164 1.00 0.00 C ATOM 0 HA PRO A 62 -8.740 6.950 8.455 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.663 9.015 6.934 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.382 8.929 8.662 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.591 8.048 6.407 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.171 8.916 7.870 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.736 6.244 7.639 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.146 6.968 9.182 1.00 0.00 H new ATOM 888 N PRO A 63 -9.703 7.141 6.101 1.00 0.00 N ATOM 889 CA PRO A 63 -10.369 6.874 4.823 1.00 0.00 C ATOM 890 C PRO A 63 -9.715 7.619 3.663 1.00 0.00 C ATOM 891 O PRO A 63 -9.306 8.770 3.804 1.00 0.00 O ATOM 892 CB PRO A 63 -11.793 7.381 5.050 1.00 0.00 C ATOM 893 CG PRO A 63 -11.660 8.426 6.102 1.00 0.00 C ATOM 894 CD PRO A 63 -10.530 7.979 6.990 1.00 0.00 C ATOM 0 HA PRO A 63 -10.318 5.820 4.549 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.217 7.793 4.134 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.453 6.576 5.373 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -11.447 9.400 5.660 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -12.585 8.529 6.669 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.967 8.827 7.380 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.894 7.415 7.849 1.00 0.00 H new ATOM 902 N LYS A 64 -9.621 6.952 2.516 1.00 0.00 N ATOM 903 CA LYS A 64 -9.018 7.551 1.331 1.00 0.00 C ATOM 904 C LYS A 64 -7.549 7.884 1.577 1.00 0.00 C ATOM 905 O LYS A 64 -7.093 8.990 1.287 1.00 0.00 O ATOM 906 CB LYS A 64 -9.781 8.815 0.928 1.00 0.00 C ATOM 907 CG LYS A 64 -11.274 8.594 0.751 1.00 0.00 C ATOM 908 CD LYS A 64 -11.574 7.797 -0.510 1.00 0.00 C ATOM 909 CE LYS A 64 -11.878 6.342 -0.191 1.00 0.00 C ATOM 910 NZ LYS A 64 -12.932 5.787 -1.082 1.00 0.00 N ATOM 0 H LYS A 64 -9.955 5.997 2.383 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.076 6.827 0.519 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.623 9.582 1.686 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.366 9.198 -0.004 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.670 8.067 1.619 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.782 9.557 0.704 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.423 8.242 -1.029 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.722 7.852 -1.187 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.968 5.750 -0.293 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.199 6.257 0.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.737 4.782 -1.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.860 5.880 -0.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.937 6.310 -1.981 1.00 0.00 H new ATOM 924 N PHE A 65 -6.810 6.917 2.112 1.00 0.00 N ATOM 925 CA PHE A 65 -5.392 7.106 2.396 1.00 0.00 C ATOM 926 C PHE A 65 -4.590 5.861 2.026 1.00 0.00 C ATOM 927 O PHE A 65 -3.546 5.953 1.380 1.00 0.00 O ATOM 928 CB PHE A 65 -5.186 7.441 3.875 1.00 0.00 C ATOM 929 CG PHE A 65 -5.126 8.915 4.154 1.00 0.00 C ATOM 930 CD1 PHE A 65 -3.926 9.602 4.063 1.00 0.00 C ATOM 931 CD2 PHE A 65 -6.269 9.613 4.508 1.00 0.00 C ATOM 932 CE1 PHE A 65 -3.867 10.959 4.319 1.00 0.00 C ATOM 933 CE2 PHE A 65 -6.216 10.970 4.767 1.00 0.00 C ATOM 934 CZ PHE A 65 -5.015 11.643 4.672 1.00 0.00 C ATOM 0 H PHE A 65 -7.170 5.995 2.358 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.034 7.938 1.790 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.998 7.003 4.455 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.262 6.977 4.219 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.026 9.071 3.789 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.212 9.091 4.582 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.926 11.484 4.243 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.114 11.503 5.043 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.972 12.703 4.873 1.00 0.00 H new ATOM 944 N GLY A 66 -5.084 4.700 2.441 1.00 0.00 N ATOM 945 CA GLY A 66 -4.401 3.455 2.144 1.00 0.00 C ATOM 946 C GLY A 66 -4.770 2.899 0.782 1.00 0.00 C ATOM 947 O GLY A 66 -5.922 2.995 0.357 1.00 0.00 O ATOM 0 H GLY A 66 -5.945 4.599 2.978 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.324 3.616 2.187 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.644 2.719 2.911 1.00 0.00 H new ATOM 951 N LEU A 67 -3.791 2.317 0.097 1.00 0.00 N ATOM 952 CA LEU A 67 -4.019 1.744 -1.224 1.00 0.00 C ATOM 953 C LEU A 67 -3.282 0.418 -1.377 1.00 0.00 C ATOM 954 O LEU A 67 -2.058 0.359 -1.251 1.00 0.00 O ATOM 955 CB LEU A 67 -3.567 2.721 -2.312 1.00 0.00 C ATOM 956 CG LEU A 67 -3.802 2.242 -3.749 1.00 0.00 C ATOM 957 CD1 LEU A 67 -4.744 3.186 -4.481 1.00 0.00 C ATOM 958 CD2 LEU A 67 -2.481 2.122 -4.496 1.00 0.00 C ATOM 0 H LEU A 67 -2.833 2.230 0.435 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.088 1.559 -1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.090 3.667 -2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.504 2.921 -2.181 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.266 1.256 -3.709 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.898 2.829 -5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.701 3.222 -3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.309 4.185 -4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.668 1.781 -5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.989 3.094 -4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.838 1.405 -3.986 1.00 0.00 H new ATOM 970 N PHE A 68 -4.033 -0.643 -1.649 1.00 0.00 N ATOM 971 CA PHE A 68 -3.450 -1.969 -1.821 1.00 0.00 C ATOM 972 C PHE A 68 -2.943 -2.160 -3.246 1.00 0.00 C ATOM 973 O PHE A 68 -3.632 -1.824 -4.210 1.00 0.00 O ATOM 974 CB PHE A 68 -4.479 -3.049 -1.484 1.00 0.00 C ATOM 975 CG PHE A 68 -4.883 -3.063 -0.037 1.00 0.00 C ATOM 976 CD1 PHE A 68 -4.082 -3.676 0.913 1.00 0.00 C ATOM 977 CD2 PHE A 68 -6.064 -2.465 0.371 1.00 0.00 C ATOM 978 CE1 PHE A 68 -4.450 -3.690 2.245 1.00 0.00 C ATOM 979 CE2 PHE A 68 -6.438 -2.477 1.702 1.00 0.00 C ATOM 980 CZ PHE A 68 -5.630 -3.091 2.641 1.00 0.00 C ATOM 0 H PHE A 68 -5.047 -0.611 -1.755 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.604 -2.058 -1.139 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.366 -2.898 -2.099 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.070 -4.024 -1.748 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.160 -4.148 0.609 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.699 -1.984 -0.358 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.815 -4.169 2.976 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.361 -2.007 2.008 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.921 -3.102 3.681 1.00 0.00 H new ATOM 990 N ALA A 69 -1.736 -2.701 -3.373 1.00 0.00 N ATOM 991 CA ALA A 69 -1.138 -2.937 -4.682 1.00 0.00 C ATOM 992 C ALA A 69 -0.099 -4.053 -4.618 1.00 0.00 C ATOM 993 O ALA A 69 0.559 -4.241 -3.596 1.00 0.00 O ATOM 994 CB ALA A 69 -0.508 -1.657 -5.211 1.00 0.00 C ATOM 0 H ALA A 69 -1.153 -2.984 -2.586 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.928 -3.250 -5.365 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.065 -1.847 -6.189 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.273 -0.886 -5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.266 -1.320 -4.521 1.00 0.00 H new ATOM 1000 N PRO A 70 0.064 -4.810 -5.717 1.00 0.00 N ATOM 1001 CA PRO A 70 1.031 -5.911 -5.779 1.00 0.00 C ATOM 1002 C PRO A 70 2.436 -5.465 -5.390 1.00 0.00 C ATOM 1003 O PRO A 70 2.818 -4.316 -5.616 1.00 0.00 O ATOM 1004 CB PRO A 70 0.993 -6.341 -7.247 1.00 0.00 C ATOM 1005 CG PRO A 70 -0.347 -5.911 -7.736 1.00 0.00 C ATOM 1006 CD PRO A 70 -0.679 -4.653 -6.982 1.00 0.00 C ATOM 0 HA PRO A 70 0.781 -6.712 -5.083 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.792 -5.869 -7.818 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.123 -7.419 -7.347 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.330 -5.729 -8.811 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.095 -6.683 -7.555 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.364 -3.763 -7.526 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.751 -4.558 -6.810 1.00 0.00 H new ATOM 1014 N ILE A 71 3.203 -6.378 -4.803 1.00 0.00 N ATOM 1015 CA ILE A 71 4.565 -6.076 -4.384 1.00 0.00 C ATOM 1016 C ILE A 71 5.426 -5.655 -5.572 1.00 0.00 C ATOM 1017 O ILE A 71 6.157 -4.667 -5.502 1.00 0.00 O ATOM 1018 CB ILE A 71 5.220 -7.282 -3.679 1.00 0.00 C ATOM 1019 CG1 ILE A 71 6.611 -6.910 -3.162 1.00 0.00 C ATOM 1020 CG2 ILE A 71 5.301 -8.472 -4.624 1.00 0.00 C ATOM 1021 CD1 ILE A 71 6.934 -7.509 -1.810 1.00 0.00 C ATOM 0 H ILE A 71 2.903 -7.333 -4.607 1.00 0.00 H new ATOM 0 HA ILE A 71 4.503 -5.248 -3.677 1.00 0.00 H new ATOM 0 HB ILE A 71 4.601 -7.562 -2.827 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.358 -7.239 -3.884 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.687 -5.825 -3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.766 -9.314 -4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.297 -8.751 -4.944 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.898 -8.204 -5.496 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.935 -7.203 -1.506 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.209 -7.160 -1.075 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.891 -8.596 -1.874 1.00 0.00 H new ATOM 1033 N HIS A 72 5.334 -6.410 -6.663 1.00 0.00 N ATOM 1034 CA HIS A 72 6.106 -6.109 -7.864 1.00 0.00 C ATOM 1035 C HIS A 72 5.693 -4.768 -8.465 1.00 0.00 C ATOM 1036 O HIS A 72 6.423 -4.189 -9.270 1.00 0.00 O ATOM 1037 CB HIS A 72 5.940 -7.223 -8.901 1.00 0.00 C ATOM 1038 CG HIS A 72 4.522 -7.663 -9.098 1.00 0.00 C ATOM 1039 ND1 HIS A 72 3.889 -8.591 -8.302 1.00 0.00 N ATOM 1040 CD2 HIS A 72 3.611 -7.284 -10.030 1.00 0.00 C ATOM 1041 CE1 HIS A 72 2.641 -8.746 -8.766 1.00 0.00 C ATOM 1042 NE2 HIS A 72 2.422 -7.975 -9.813 1.00 0.00 N ATOM 0 H HIS A 72 4.735 -7.232 -6.740 1.00 0.00 H new ATOM 0 HA HIS A 72 7.156 -6.045 -7.577 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.339 -6.880 -9.855 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.537 -8.082 -8.596 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.781 -6.562 -10.815 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.910 -9.416 -8.338 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.560 -7.900 -10.353 1.00 0.00 H new ATOM 1050 N LYS A 73 4.522 -4.273 -8.069 1.00 0.00 N ATOM 1051 CA LYS A 73 4.025 -2.997 -8.573 1.00 0.00 C ATOM 1052 C LYS A 73 4.348 -1.863 -7.603 1.00 0.00 C ATOM 1053 O LYS A 73 3.687 -0.824 -7.610 1.00 0.00 O ATOM 1054 CB LYS A 73 2.514 -3.068 -8.802 1.00 0.00 C ATOM 1055 CG LYS A 73 2.087 -4.210 -9.707 1.00 0.00 C ATOM 1056 CD LYS A 73 2.363 -3.898 -11.169 1.00 0.00 C ATOM 1057 CE LYS A 73 1.550 -4.791 -12.093 1.00 0.00 C ATOM 1058 NZ LYS A 73 1.816 -4.497 -13.529 1.00 0.00 N ATOM 0 H LYS A 73 3.903 -4.735 -7.403 1.00 0.00 H new ATOM 0 HA LYS A 73 4.522 -2.794 -9.522 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.014 -3.173 -7.839 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.177 -2.127 -9.236 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.617 -5.119 -9.422 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.023 -4.405 -9.570 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.126 -2.853 -11.370 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.425 -4.030 -11.376 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.785 -5.835 -11.887 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.488 -4.656 -11.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.242 -5.127 -14.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.568 -3.508 -13.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.824 -4.650 -13.734 1.00 0.00 H new ATOM 1072 N VAL A 74 5.364 -2.066 -6.770 1.00 0.00 N ATOM 1073 CA VAL A 74 5.767 -1.059 -5.797 1.00 0.00 C ATOM 1074 C VAL A 74 7.222 -0.648 -6.002 1.00 0.00 C ATOM 1075 O VAL A 74 8.105 -1.496 -6.127 1.00 0.00 O ATOM 1076 CB VAL A 74 5.588 -1.566 -4.355 1.00 0.00 C ATOM 1077 CG1 VAL A 74 5.819 -0.440 -3.359 1.00 0.00 C ATOM 1078 CG2 VAL A 74 4.206 -2.176 -4.172 1.00 0.00 C ATOM 0 H VAL A 74 5.923 -2.919 -6.750 1.00 0.00 H new ATOM 0 HA VAL A 74 5.122 -0.194 -5.952 1.00 0.00 H new ATOM 0 HB VAL A 74 6.330 -2.342 -4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.688 -0.818 -2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.832 -0.054 -3.474 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.103 0.361 -3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.097 -2.529 -3.147 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.446 -1.423 -4.379 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.084 -3.013 -4.859 1.00 0.00 H new ATOM 1088 N ILE A 75 7.463 0.659 -6.037 1.00 0.00 N ATOM 1089 CA ILE A 75 8.810 1.183 -6.226 1.00 0.00 C ATOM 1090 C ILE A 75 9.437 1.581 -4.896 1.00 0.00 C ATOM 1091 O ILE A 75 8.735 1.839 -3.918 1.00 0.00 O ATOM 1092 CB ILE A 75 8.811 2.405 -7.166 1.00 0.00 C ATOM 1093 CG1 ILE A 75 7.977 2.117 -8.417 1.00 0.00 C ATOM 1094 CG2 ILE A 75 10.235 2.780 -7.547 1.00 0.00 C ATOM 1095 CD1 ILE A 75 8.533 0.996 -9.268 1.00 0.00 C ATOM 0 H ILE A 75 6.743 1.374 -5.937 1.00 0.00 H new ATOM 0 HA ILE A 75 9.399 0.385 -6.678 1.00 0.00 H new ATOM 0 HB ILE A 75 8.362 3.248 -6.640 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.960 1.864 -8.116 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.915 3.023 -9.019 1.00 0.00 H new ATOM 0 HG21 ILE A 75 10.218 3.644 -8.211 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.800 3.024 -6.647 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.708 1.941 -8.056 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.892 0.847 -10.137 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.539 1.255 -9.599 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.569 0.078 -8.682 1.00 0.00 H new ATOM 1107 N ARG A 76 10.766 1.630 -4.865 1.00 0.00 N ATOM 1108 CA ARG A 76 11.489 1.997 -3.653 1.00 0.00 C ATOM 1109 C ARG A 76 12.107 3.385 -3.791 1.00 0.00 C ATOM 1110 O ARG A 76 12.997 3.601 -4.613 1.00 0.00 O ATOM 1111 CB ARG A 76 12.579 0.965 -3.352 1.00 0.00 C ATOM 1112 CG ARG A 76 12.555 0.457 -1.919 1.00 0.00 C ATOM 1113 CD ARG A 76 12.758 -1.047 -1.855 1.00 0.00 C ATOM 1114 NE ARG A 76 13.985 -1.464 -2.532 1.00 0.00 N ATOM 1115 CZ ARG A 76 15.198 -1.367 -1.994 1.00 0.00 C ATOM 1116 NH1 ARG A 76 15.353 -0.868 -0.773 1.00 0.00 N ATOM 1117 NH2 ARG A 76 16.261 -1.768 -2.679 1.00 0.00 N ATOM 0 H ARG A 76 11.363 1.420 -5.665 1.00 0.00 H new ATOM 0 HA ARG A 76 10.780 2.015 -2.825 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.465 0.120 -4.031 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.554 1.408 -3.556 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.335 0.955 -1.343 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.603 0.716 -1.456 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.794 -1.364 -0.813 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.904 -1.548 -2.311 1.00 0.00 H new ATOM 0 HE ARG A 76 13.906 -1.852 -3.472 1.00 0.00 H new ATOM 0 HH11 ARG A 76 14.540 -0.557 -0.242 1.00 0.00 H new ATOM 0 HH12 ARG A 76 16.286 -0.796 -0.366 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.148 -2.151 -3.618 1.00 0.00 H new ATOM 0 HH22 ARG A 76 17.191 -1.694 -2.267 1.00 0.00 H new ATOM 1131 N ILE A 77 11.628 4.323 -2.980 1.00 0.00 N ATOM 1132 CA ILE A 77 12.133 5.690 -3.012 1.00 0.00 C ATOM 1133 C ILE A 77 12.935 6.010 -1.754 1.00 0.00 C ATOM 1134 O ILE A 77 12.809 7.094 -1.182 1.00 0.00 O ATOM 1135 CB ILE A 77 10.985 6.709 -3.151 1.00 0.00 C ATOM 1136 CG1 ILE A 77 9.934 6.476 -2.065 1.00 0.00 C ATOM 1137 CG2 ILE A 77 10.358 6.612 -4.534 1.00 0.00 C ATOM 1138 CD1 ILE A 77 9.216 7.738 -1.638 1.00 0.00 C ATOM 0 H ILE A 77 10.891 4.161 -2.293 1.00 0.00 H new ATOM 0 HA ILE A 77 12.784 5.767 -3.883 1.00 0.00 H new ATOM 0 HB ILE A 77 11.391 7.713 -3.027 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.201 5.756 -2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.415 6.029 -1.195 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.549 7.337 -4.618 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.113 6.822 -5.291 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.962 5.608 -4.684 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.485 7.497 -0.866 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.939 8.452 -1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.706 8.175 -2.497 1.00 0.00 H new ATOM 1150 N GLY A 78 13.761 5.060 -1.329 1.00 0.00 N ATOM 1151 CA GLY A 78 14.573 5.261 -0.142 1.00 0.00 C ATOM 1152 C GLY A 78 15.007 3.953 0.491 1.00 0.00 C ATOM 1153 O GLY A 78 14.361 2.921 0.308 1.00 0.00 O ATOM 0 H GLY A 78 13.883 4.155 -1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 78 15.455 5.845 -0.404 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.009 5.844 0.586 1.00 0.00 H new ATOM 1157 N SER A 79 16.105 3.996 1.238 1.00 0.00 N ATOM 1158 CA SER A 79 16.627 2.807 1.900 1.00 0.00 C ATOM 1159 C SER A 79 17.189 3.153 3.276 1.00 0.00 C ATOM 1160 O SER A 79 18.134 3.933 3.393 1.00 0.00 O ATOM 1161 CB SER A 79 17.712 2.154 1.043 1.00 0.00 C ATOM 1162 OG SER A 79 18.404 3.121 0.272 1.00 0.00 O ATOM 0 H SER A 79 16.651 4.842 1.400 1.00 0.00 H new ATOM 0 HA SER A 79 15.804 2.104 2.029 1.00 0.00 H new ATOM 0 HB2 SER A 79 18.416 1.624 1.684 1.00 0.00 H new ATOM 0 HB3 SER A 79 17.261 1.413 0.383 1.00 0.00 H new ATOM 0 HG SER A 79 19.093 2.678 -0.266 1.00 0.00 H new ATOM 1168 N GLY A 80 16.602 2.565 4.314 1.00 0.00 N ATOM 1169 CA GLY A 80 17.057 2.824 5.668 1.00 0.00 C ATOM 1170 C GLY A 80 17.517 1.563 6.375 1.00 0.00 C ATOM 1171 O GLY A 80 16.995 1.219 7.435 1.00 0.00 O ATOM 0 H GLY A 80 15.820 1.914 4.242 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.877 3.542 5.642 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.249 3.283 6.238 1.00 0.00 H new ATOM 1175 N PRO A 81 18.503 0.845 5.808 1.00 0.00 N ATOM 1176 CA PRO A 81 19.025 -0.389 6.404 1.00 0.00 C ATOM 1177 C PRO A 81 19.824 -0.123 7.676 1.00 0.00 C ATOM 1178 O PRO A 81 19.977 1.024 8.095 1.00 0.00 O ATOM 1179 CB PRO A 81 19.932 -0.956 5.311 1.00 0.00 C ATOM 1180 CG PRO A 81 20.349 0.230 4.511 1.00 0.00 C ATOM 1181 CD PRO A 81 19.184 1.181 4.544 1.00 0.00 C ATOM 0 HA PRO A 81 18.226 -1.066 6.706 1.00 0.00 H new ATOM 0 HB2 PRO A 81 20.794 -1.468 5.738 1.00 0.00 H new ATOM 0 HB3 PRO A 81 19.403 -1.683 4.695 1.00 0.00 H new ATOM 0 HG2 PRO A 81 21.242 0.691 4.933 1.00 0.00 H new ATOM 0 HG3 PRO A 81 20.591 -0.055 3.487 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.513 2.220 4.529 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.528 1.042 3.685 1.00 0.00 H new ATOM 1189 N SER A 82 20.329 -1.191 8.285 1.00 0.00 N ATOM 1190 CA SER A 82 21.112 -1.072 9.509 1.00 0.00 C ATOM 1191 C SER A 82 20.284 -0.441 10.624 1.00 0.00 C ATOM 1192 O SER A 82 20.135 0.780 10.686 1.00 0.00 O ATOM 1193 CB SER A 82 22.369 -0.237 9.257 1.00 0.00 C ATOM 1194 OG SER A 82 23.208 -0.855 8.297 1.00 0.00 O ATOM 0 H SER A 82 20.210 -2.147 7.951 1.00 0.00 H new ATOM 0 HA SER A 82 21.407 -2.074 9.821 1.00 0.00 H new ATOM 0 HB2 SER A 82 22.086 0.757 8.911 1.00 0.00 H new ATOM 0 HB3 SER A 82 22.915 -0.105 10.191 1.00 0.00 H new ATOM 0 HG SER A 82 24.003 -0.301 8.153 1.00 0.00 H new ATOM 1200 N SER A 83 19.746 -1.281 11.503 1.00 0.00 N ATOM 1201 CA SER A 83 18.933 -0.806 12.616 1.00 0.00 C ATOM 1202 C SER A 83 19.595 -1.129 13.952 1.00 0.00 C ATOM 1203 O SER A 83 20.021 -0.231 14.679 1.00 0.00 O ATOM 1204 CB SER A 83 17.539 -1.434 12.560 1.00 0.00 C ATOM 1205 OG SER A 83 16.720 -0.953 13.611 1.00 0.00 O ATOM 0 H SER A 83 19.859 -2.294 11.466 1.00 0.00 H new ATOM 0 HA SER A 83 18.841 0.277 12.530 1.00 0.00 H new ATOM 0 HB2 SER A 83 17.074 -1.209 11.600 1.00 0.00 H new ATOM 0 HB3 SER A 83 17.623 -2.519 12.627 1.00 0.00 H new ATOM 0 HG SER A 83 15.834 -1.368 13.552 1.00 0.00 H new ATOM 1211 N GLY A 84 19.677 -2.417 14.269 1.00 0.00 N ATOM 1212 CA GLY A 84 20.288 -2.836 15.516 1.00 0.00 C ATOM 1213 C GLY A 84 21.759 -3.169 15.361 1.00 0.00 C ATOM 1214 O GLY A 84 22.316 -3.829 16.262 1.00 0.00 O ATOM 1215 OXT GLY A 84 22.352 -2.770 14.338 1.00 0.00 O ATOM 0 H GLY A 84 19.331 -3.178 13.684 1.00 0.00 H new ATOM 0 HA2 GLY A 84 20.175 -2.044 16.256 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.760 -3.709 15.900 1.00 0.00 H new TER 1219 GLY A 84