USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 871 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+ -139:sc= 0.0105 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.623 X(o=-0.62,f=-0.27) USER MOD Single : A 17 ASN : amide:sc= -0.669 X(o=-0.67,f=-0.42) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -28:sc= 0.645 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0674 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.816) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0803 USER MOD Single : A 52 GLN : amide:sc= -2.78 K(o=-2.8,f=-6.1!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 61 ASN : amide:sc= -0.448 X(o=-0.45,f=-0.71) USER MOD Single : A 65 GLN : amide:sc= -0.193 K(o=-0.19,f=-1.1) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= -0.27 (180deg=-0.27) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 77 TYR OH : rot -58:sc= 0.79 USER MOD Single : A 78 THR OG1 : rot -88:sc= 0.594 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 51:sc= 0.531 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 17:sc= 0.247 USER MOD Single : A 93 TYR OH : rot 180:sc= -0.0508 USER MOD Single : A 97 GLN : amide:sc=-0.00676 X(o=-0.0068,f=-0.18) USER MOD Single : A 104 GLN : amide:sc= -3.37! C(o=-3.4!,f=-3.9!) USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.318 USER MOD Single : A 112 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 116 SER OG : rot 35:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.093 52.455 3.999 1.00 0.00 N ATOM 2 CA GLY A 1 -3.746 51.341 4.662 1.00 0.00 C ATOM 3 C GLY A 1 -2.757 50.360 5.258 1.00 0.00 C ATOM 4 O GLY A 1 -1.714 50.757 5.776 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.602 53.335 4.217 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.111 52.531 4.333 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.098 52.298 2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.395 51.722 5.450 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.384 50.820 3.948 1.00 0.00 H new ATOM 8 N SER A 2 -3.085 49.074 5.186 1.00 0.00 N ATOM 9 CA SER A 2 -2.220 48.033 5.728 1.00 0.00 C ATOM 10 C SER A 2 -2.225 46.800 4.829 1.00 0.00 C ATOM 11 O SER A 2 -3.135 46.610 4.022 1.00 0.00 O ATOM 12 CB SER A 2 -2.668 47.651 7.139 1.00 0.00 C ATOM 13 OG SER A 2 -1.615 47.036 7.861 1.00 0.00 O ATOM 0 H SER A 2 -3.944 48.728 4.758 1.00 0.00 H new ATOM 0 HA SER A 2 -1.204 48.426 5.771 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.005 48.541 7.670 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.519 46.972 7.082 1.00 0.00 H new ATOM 0 HG SER A 2 -1.927 46.803 8.760 1.00 0.00 H new ATOM 19 N SER A 3 -1.202 45.964 4.975 1.00 0.00 N ATOM 20 CA SER A 3 -1.085 44.751 4.175 1.00 0.00 C ATOM 21 C SER A 3 -1.824 43.591 4.835 1.00 0.00 C ATOM 22 O SER A 3 -1.382 43.056 5.851 1.00 0.00 O ATOM 23 CB SER A 3 0.387 44.385 3.977 1.00 0.00 C ATOM 24 OG SER A 3 1.000 45.235 3.023 1.00 0.00 O ATOM 0 H SER A 3 -0.442 46.105 5.640 1.00 0.00 H new ATOM 0 HA SER A 3 -1.539 44.942 3.203 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.915 44.460 4.928 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.466 43.348 3.649 1.00 0.00 H new ATOM 0 HG SER A 3 1.941 44.982 2.916 1.00 0.00 H new ATOM 30 N GLY A 4 -2.955 43.208 4.249 1.00 0.00 N ATOM 31 CA GLY A 4 -3.738 42.114 4.793 1.00 0.00 C ATOM 32 C GLY A 4 -5.154 42.090 4.251 1.00 0.00 C ATOM 33 O GLY A 4 -5.966 42.955 4.577 1.00 0.00 O ATOM 0 H GLY A 4 -3.342 43.636 3.408 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.247 41.169 4.561 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.769 42.198 5.879 1.00 0.00 H new ATOM 37 N SER A 5 -5.450 41.095 3.420 1.00 0.00 N ATOM 38 CA SER A 5 -6.776 40.964 2.827 1.00 0.00 C ATOM 39 C SER A 5 -7.564 39.845 3.500 1.00 0.00 C ATOM 40 O SER A 5 -7.018 38.788 3.814 1.00 0.00 O ATOM 41 CB SER A 5 -6.661 40.691 1.326 1.00 0.00 C ATOM 42 OG SER A 5 -7.937 40.478 0.747 1.00 0.00 O ATOM 0 H SER A 5 -4.790 40.369 3.142 1.00 0.00 H new ATOM 0 HA SER A 5 -7.310 41.902 2.979 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.172 41.533 0.836 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.032 39.817 1.159 1.00 0.00 H new ATOM 0 HG SER A 5 -7.836 40.307 -0.213 1.00 0.00 H new ATOM 48 N SER A 6 -8.853 40.088 3.720 1.00 0.00 N ATOM 49 CA SER A 6 -9.717 39.103 4.360 1.00 0.00 C ATOM 50 C SER A 6 -10.420 38.238 3.318 1.00 0.00 C ATOM 51 O SER A 6 -11.218 38.732 2.522 1.00 0.00 O ATOM 52 CB SER A 6 -10.753 39.800 5.244 1.00 0.00 C ATOM 53 OG SER A 6 -11.413 38.871 6.086 1.00 0.00 O ATOM 0 H SER A 6 -9.321 40.958 3.465 1.00 0.00 H new ATOM 0 HA SER A 6 -9.094 38.459 4.981 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.264 40.562 5.851 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.484 40.312 4.618 1.00 0.00 H new ATOM 0 HG SER A 6 -12.069 39.342 6.642 1.00 0.00 H new ATOM 59 N GLY A 7 -10.117 36.944 3.331 1.00 0.00 N ATOM 60 CA GLY A 7 -10.728 36.030 2.383 1.00 0.00 C ATOM 61 C GLY A 7 -10.678 34.589 2.851 1.00 0.00 C ATOM 62 O GLY A 7 -9.863 34.217 3.696 1.00 0.00 O ATOM 0 H GLY A 7 -9.460 36.512 3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.766 36.320 2.221 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.220 36.115 1.422 1.00 0.00 H new ATOM 66 N PRO A 8 -11.566 33.751 2.297 1.00 0.00 N ATOM 67 CA PRO A 8 -11.641 32.330 2.650 1.00 0.00 C ATOM 68 C PRO A 8 -10.437 31.544 2.143 1.00 0.00 C ATOM 69 O PRO A 8 -9.720 31.973 1.239 1.00 0.00 O ATOM 70 CB PRO A 8 -12.919 31.859 1.952 1.00 0.00 C ATOM 71 CG PRO A 8 -13.100 32.802 0.813 1.00 0.00 C ATOM 72 CD PRO A 8 -12.567 34.127 1.284 1.00 0.00 C ATOM 0 HA PRO A 8 -11.647 32.177 3.729 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -12.823 30.831 1.603 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -13.773 31.888 2.629 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.562 32.456 -0.069 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -14.151 32.881 0.535 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.119 34.693 0.467 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -13.355 34.749 1.709 1.00 0.00 H new ATOM 80 N PRO A 9 -10.207 30.364 2.738 1.00 0.00 N ATOM 81 CA PRO A 9 -9.090 29.492 2.362 1.00 0.00 C ATOM 82 C PRO A 9 -9.278 28.871 0.982 1.00 0.00 C ATOM 83 O PRO A 9 -10.341 28.332 0.673 1.00 0.00 O ATOM 84 CB PRO A 9 -9.106 28.408 3.443 1.00 0.00 C ATOM 85 CG PRO A 9 -10.515 28.377 3.926 1.00 0.00 C ATOM 86 CD PRO A 9 -11.020 29.789 3.823 1.00 0.00 C ATOM 0 HA PRO A 9 -8.149 30.039 2.301 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.804 27.442 3.039 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.415 28.645 4.252 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.120 27.701 3.321 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.567 28.018 4.954 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.084 29.819 3.587 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.885 30.333 4.758 1.00 0.00 H new ATOM 94 N VAL A 10 -8.240 28.949 0.156 1.00 0.00 N ATOM 95 CA VAL A 10 -8.290 28.393 -1.191 1.00 0.00 C ATOM 96 C VAL A 10 -7.243 27.300 -1.374 1.00 0.00 C ATOM 97 O VAL A 10 -6.047 27.537 -1.199 1.00 0.00 O ATOM 98 CB VAL A 10 -8.071 29.483 -2.256 1.00 0.00 C ATOM 99 CG1 VAL A 10 -6.646 30.010 -2.196 1.00 0.00 C ATOM 100 CG2 VAL A 10 -8.390 28.944 -3.643 1.00 0.00 C ATOM 0 H VAL A 10 -7.353 29.392 0.396 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.284 27.964 -1.320 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.748 30.311 -2.047 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.510 30.779 -2.956 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.457 30.436 -1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.948 29.193 -2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.230 29.728 -4.384 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.739 28.098 -3.863 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.430 28.620 -3.677 1.00 0.00 H new ATOM 110 N ILE A 11 -7.700 26.104 -1.727 1.00 0.00 N ATOM 111 CA ILE A 11 -6.802 24.975 -1.936 1.00 0.00 C ATOM 112 C ILE A 11 -6.100 25.073 -3.286 1.00 0.00 C ATOM 113 O ILE A 11 -6.725 24.916 -4.335 1.00 0.00 O ATOM 114 CB ILE A 11 -7.556 23.634 -1.858 1.00 0.00 C ATOM 115 CG1 ILE A 11 -8.130 23.428 -0.455 1.00 0.00 C ATOM 116 CG2 ILE A 11 -6.632 22.485 -2.233 1.00 0.00 C ATOM 117 CD1 ILE A 11 -9.163 22.325 -0.381 1.00 0.00 C ATOM 0 H ILE A 11 -8.687 25.891 -1.874 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.059 25.012 -1.140 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.383 23.656 -2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.315 23.199 0.232 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.581 24.360 -0.115 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.179 21.544 -2.173 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.267 22.629 -3.250 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.787 22.458 -1.545 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.526 22.235 0.643 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.996 22.562 -1.042 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.711 21.382 -0.690 1.00 0.00 H new ATOM 129 N ARG A 12 -4.797 25.332 -3.252 1.00 0.00 N ATOM 130 CA ARG A 12 -4.009 25.450 -4.473 1.00 0.00 C ATOM 131 C ARG A 12 -3.822 24.087 -5.134 1.00 0.00 C ATOM 132 O ARG A 12 -4.105 23.918 -6.319 1.00 0.00 O ATOM 133 CB ARG A 12 -2.646 26.072 -4.168 1.00 0.00 C ATOM 134 CG ARG A 12 -2.733 27.446 -3.523 1.00 0.00 C ATOM 135 CD ARG A 12 -3.275 28.483 -4.494 1.00 0.00 C ATOM 136 NE ARG A 12 -2.218 29.069 -5.315 1.00 0.00 N ATOM 137 CZ ARG A 12 -1.822 28.560 -6.476 1.00 0.00 C ATOM 138 NH1 ARG A 12 -2.392 27.461 -6.951 1.00 0.00 N ATOM 139 NH2 ARG A 12 -0.853 29.150 -7.165 1.00 0.00 N ATOM 0 H ARG A 12 -4.265 25.464 -2.392 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.550 26.098 -5.163 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.091 25.405 -3.508 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.077 26.150 -5.094 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.377 27.397 -2.645 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.745 27.750 -3.178 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.021 28.020 -5.140 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.781 29.272 -3.937 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.759 29.915 -4.978 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.137 27.004 -6.424 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.086 27.072 -7.843 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.412 29.995 -6.803 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.550 28.758 -8.057 1.00 0.00 H new ATOM 153 N GLN A 13 -3.344 23.120 -4.358 1.00 0.00 N ATOM 154 CA GLN A 13 -3.118 21.773 -4.868 1.00 0.00 C ATOM 155 C GLN A 13 -3.685 20.727 -3.913 1.00 0.00 C ATOM 156 O GLN A 13 -3.065 20.392 -2.905 1.00 0.00 O ATOM 157 CB GLN A 13 -1.623 21.529 -5.081 1.00 0.00 C ATOM 158 CG GLN A 13 -1.137 21.908 -6.471 1.00 0.00 C ATOM 159 CD GLN A 13 -1.857 21.148 -7.568 1.00 0.00 C ATOM 160 OE1 GLN A 13 -2.250 21.724 -8.583 1.00 0.00 O ATOM 161 NE2 GLN A 13 -2.034 19.847 -7.369 1.00 0.00 N ATOM 0 H GLN A 13 -3.106 23.244 -3.374 1.00 0.00 H new ATOM 0 HA GLN A 13 -3.633 21.683 -5.824 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.061 22.099 -4.341 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.406 20.476 -4.904 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.279 22.978 -6.622 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.067 21.715 -6.543 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.692 19.411 -6.513 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.512 19.284 -8.072 1.00 0.00 H new ATOM 170 N GLY A 14 -4.868 20.214 -4.239 1.00 0.00 N ATOM 171 CA GLY A 14 -5.498 19.212 -3.401 1.00 0.00 C ATOM 172 C GLY A 14 -5.178 17.798 -3.845 1.00 0.00 C ATOM 173 O GLY A 14 -4.774 17.559 -4.984 1.00 0.00 O ATOM 0 H GLY A 14 -5.401 20.475 -5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.172 19.348 -2.370 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.578 19.358 -3.415 1.00 0.00 H new ATOM 177 N PRO A 15 -5.357 16.832 -2.933 1.00 0.00 N ATOM 178 CA PRO A 15 -5.089 15.418 -3.214 1.00 0.00 C ATOM 179 C PRO A 15 -6.097 14.820 -4.189 1.00 0.00 C ATOM 180 O PRO A 15 -7.296 15.081 -4.096 1.00 0.00 O ATOM 181 CB PRO A 15 -5.214 14.754 -1.841 1.00 0.00 C ATOM 182 CG PRO A 15 -6.117 15.651 -1.067 1.00 0.00 C ATOM 183 CD PRO A 15 -5.836 17.044 -1.557 1.00 0.00 C ATOM 0 HA PRO A 15 -4.117 15.273 -3.686 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.629 13.750 -1.923 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.242 14.658 -1.358 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.162 15.385 -1.226 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -5.926 15.568 0.003 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.731 17.666 -1.534 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.086 17.542 -0.943 1.00 0.00 H new ATOM 191 N VAL A 16 -5.602 14.015 -5.125 1.00 0.00 N ATOM 192 CA VAL A 16 -6.460 13.378 -6.117 1.00 0.00 C ATOM 193 C VAL A 16 -6.670 11.903 -5.795 1.00 0.00 C ATOM 194 O VAL A 16 -6.209 11.409 -4.767 1.00 0.00 O ATOM 195 CB VAL A 16 -5.869 13.505 -7.534 1.00 0.00 C ATOM 196 CG1 VAL A 16 -5.774 14.966 -7.944 1.00 0.00 C ATOM 197 CG2 VAL A 16 -4.507 12.832 -7.604 1.00 0.00 C ATOM 0 H VAL A 16 -4.612 13.789 -5.217 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.420 13.894 -6.085 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.535 13.000 -8.234 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.354 15.036 -8.948 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.769 15.412 -7.935 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.131 15.499 -7.244 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.104 12.931 -8.612 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.830 13.307 -6.894 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.610 11.775 -7.357 1.00 0.00 H new ATOM 207 N ASN A 17 -7.369 11.203 -6.683 1.00 0.00 N ATOM 208 CA ASN A 17 -7.641 9.783 -6.494 1.00 0.00 C ATOM 209 C ASN A 17 -6.525 8.931 -7.093 1.00 0.00 C ATOM 210 O ASN A 17 -6.139 9.119 -8.246 1.00 0.00 O ATOM 211 CB ASN A 17 -8.981 9.409 -7.131 1.00 0.00 C ATOM 212 CG ASN A 17 -8.838 9.019 -8.590 1.00 0.00 C ATOM 213 OD1 ASN A 17 -8.977 7.849 -8.947 1.00 0.00 O ATOM 214 ND2 ASN A 17 -8.560 10.000 -9.440 1.00 0.00 N ATOM 0 H ASN A 17 -7.757 11.596 -7.540 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.689 9.587 -5.423 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.425 8.581 -6.578 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.667 10.252 -7.048 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.453 9.798 -10.434 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.453 10.955 -9.099 1.00 0.00 H new ATOM 221 N GLN A 18 -6.013 7.995 -6.300 1.00 0.00 N ATOM 222 CA GLN A 18 -4.942 7.115 -6.752 1.00 0.00 C ATOM 223 C GLN A 18 -5.217 5.670 -6.347 1.00 0.00 C ATOM 224 O GLN A 18 -5.962 5.410 -5.402 1.00 0.00 O ATOM 225 CB GLN A 18 -3.601 7.572 -6.177 1.00 0.00 C ATOM 226 CG GLN A 18 -3.264 9.020 -6.494 1.00 0.00 C ATOM 227 CD GLN A 18 -2.163 9.570 -5.609 1.00 0.00 C ATOM 228 OE1 GLN A 18 -1.018 9.713 -6.040 1.00 0.00 O ATOM 229 NE2 GLN A 18 -2.504 9.884 -4.365 1.00 0.00 N ATOM 0 H GLN A 18 -6.322 7.827 -5.343 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.899 7.166 -7.840 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.615 7.440 -5.095 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.811 6.930 -6.566 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.959 9.098 -7.538 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.159 9.631 -6.377 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.465 9.749 -4.050 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.805 10.260 -3.724 1.00 0.00 H new ATOM 238 N THR A 19 -4.611 4.733 -7.069 1.00 0.00 N ATOM 239 CA THR A 19 -4.791 3.314 -6.786 1.00 0.00 C ATOM 240 C THR A 19 -3.536 2.714 -6.163 1.00 0.00 C ATOM 241 O THR A 19 -2.431 2.891 -6.675 1.00 0.00 O ATOM 242 CB THR A 19 -5.144 2.527 -8.062 1.00 0.00 C ATOM 243 OG1 THR A 19 -6.163 3.216 -8.797 1.00 0.00 O ATOM 244 CG2 THR A 19 -5.621 1.124 -7.718 1.00 0.00 C ATOM 0 H THR A 19 -3.991 4.931 -7.854 1.00 0.00 H new ATOM 0 HA THR A 19 -5.617 3.235 -6.079 1.00 0.00 H new ATOM 0 HB THR A 19 -4.245 2.448 -8.674 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.380 2.710 -9.608 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.864 0.587 -8.635 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.833 0.592 -7.185 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.508 1.186 -7.087 1.00 0.00 H new ATOM 252 N VAL A 20 -3.714 2.001 -5.055 1.00 0.00 N ATOM 253 CA VAL A 20 -2.595 1.372 -4.363 1.00 0.00 C ATOM 254 C VAL A 20 -2.929 -0.062 -3.969 1.00 0.00 C ATOM 255 O VAL A 20 -4.041 -0.353 -3.529 1.00 0.00 O ATOM 256 CB VAL A 20 -2.201 2.161 -3.100 1.00 0.00 C ATOM 257 CG1 VAL A 20 -1.380 1.291 -2.161 1.00 0.00 C ATOM 258 CG2 VAL A 20 -1.438 3.422 -3.477 1.00 0.00 C ATOM 0 H VAL A 20 -4.622 1.845 -4.618 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.755 1.369 -5.057 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.111 2.457 -2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.111 1.866 -1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.966 0.421 -1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.473 0.962 -2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.167 3.967 -2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.534 3.151 -4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.066 4.052 -4.107 1.00 0.00 H new ATOM 268 N ALA A 21 -1.958 -0.955 -4.130 1.00 0.00 N ATOM 269 CA ALA A 21 -2.148 -2.360 -3.789 1.00 0.00 C ATOM 270 C ALA A 21 -2.313 -2.541 -2.284 1.00 0.00 C ATOM 271 O ALA A 21 -2.042 -1.628 -1.505 1.00 0.00 O ATOM 272 CB ALA A 21 -0.978 -3.189 -4.298 1.00 0.00 C ATOM 0 H ALA A 21 -1.032 -0.731 -4.494 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.061 -2.706 -4.272 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.133 -4.236 -4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.908 -3.092 -5.381 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.054 -2.834 -3.841 1.00 0.00 H new ATOM 278 N VAL A 22 -2.759 -3.727 -1.881 1.00 0.00 N ATOM 279 CA VAL A 22 -2.960 -4.029 -0.469 1.00 0.00 C ATOM 280 C VAL A 22 -1.672 -3.834 0.323 1.00 0.00 C ATOM 281 O VAL A 22 -0.574 -3.908 -0.229 1.00 0.00 O ATOM 282 CB VAL A 22 -3.459 -5.472 -0.269 1.00 0.00 C ATOM 283 CG1 VAL A 22 -3.278 -5.904 1.178 1.00 0.00 C ATOM 284 CG2 VAL A 22 -4.915 -5.595 -0.693 1.00 0.00 C ATOM 0 H VAL A 22 -2.988 -4.494 -2.513 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.718 -3.337 -0.102 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.864 -6.135 -0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.636 -6.926 1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.222 -5.856 1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.846 -5.240 1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.252 -6.621 -0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.527 -4.922 -0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.011 -5.330 -1.746 1.00 0.00 H new ATOM 294 N ASP A 23 -1.813 -3.586 1.620 1.00 0.00 N ATOM 295 CA ASP A 23 -0.661 -3.382 2.490 1.00 0.00 C ATOM 296 C ASP A 23 0.407 -2.548 1.791 1.00 0.00 C ATOM 297 O ASP A 23 1.590 -2.636 2.115 1.00 0.00 O ATOM 298 CB ASP A 23 -0.074 -4.728 2.919 1.00 0.00 C ATOM 299 CG ASP A 23 0.591 -4.663 4.280 1.00 0.00 C ATOM 300 OD1 ASP A 23 -0.136 -4.665 5.295 1.00 0.00 O ATOM 301 OD2 ASP A 23 1.838 -4.609 4.330 1.00 0.00 O ATOM 0 H ASP A 23 -2.715 -3.521 2.093 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.997 -2.842 3.375 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.866 -5.476 2.941 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.654 -5.056 2.177 1.00 0.00 H new ATOM 306 N GLY A 24 -0.020 -1.737 0.827 1.00 0.00 N ATOM 307 CA GLY A 24 0.912 -0.899 0.096 1.00 0.00 C ATOM 308 C GLY A 24 1.277 0.362 0.854 1.00 0.00 C ATOM 309 O GLY A 24 1.573 0.314 2.049 1.00 0.00 O ATOM 0 H GLY A 24 -0.994 -1.646 0.540 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.818 -1.467 -0.115 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.475 -0.628 -0.865 1.00 0.00 H new ATOM 313 N THR A 25 1.258 1.495 0.160 1.00 0.00 N ATOM 314 CA THR A 25 1.592 2.774 0.775 1.00 0.00 C ATOM 315 C THR A 25 1.065 3.938 -0.057 1.00 0.00 C ATOM 316 O THR A 25 1.553 4.199 -1.157 1.00 0.00 O ATOM 317 CB THR A 25 3.114 2.932 0.951 1.00 0.00 C ATOM 318 OG1 THR A 25 3.661 1.757 1.560 1.00 0.00 O ATOM 319 CG2 THR A 25 3.437 4.148 1.806 1.00 0.00 C ATOM 0 H THR A 25 1.015 1.553 -0.829 1.00 0.00 H new ATOM 0 HA THR A 25 1.117 2.787 1.756 1.00 0.00 H new ATOM 0 HB THR A 25 3.559 3.072 -0.034 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.978 1.329 2.118 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.518 4.239 1.916 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.045 5.045 1.326 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.981 4.033 2.789 1.00 0.00 H new ATOM 327 N PHE A 26 0.068 4.636 0.476 1.00 0.00 N ATOM 328 CA PHE A 26 -0.526 5.773 -0.218 1.00 0.00 C ATOM 329 C PHE A 26 -0.454 7.032 0.641 1.00 0.00 C ATOM 330 O PHE A 26 -0.744 6.998 1.837 1.00 0.00 O ATOM 331 CB PHE A 26 -1.981 5.472 -0.581 1.00 0.00 C ATOM 332 CG PHE A 26 -2.912 5.500 0.597 1.00 0.00 C ATOM 333 CD1 PHE A 26 -3.098 4.370 1.377 1.00 0.00 C ATOM 334 CD2 PHE A 26 -3.600 6.657 0.926 1.00 0.00 C ATOM 335 CE1 PHE A 26 -3.954 4.393 2.462 1.00 0.00 C ATOM 336 CE2 PHE A 26 -4.457 6.686 2.010 1.00 0.00 C ATOM 337 CZ PHE A 26 -4.633 5.553 2.780 1.00 0.00 C ATOM 0 H PHE A 26 -0.346 4.434 1.386 1.00 0.00 H new ATOM 0 HA PHE A 26 0.041 5.946 -1.133 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.320 6.199 -1.319 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.034 4.490 -1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.568 3.461 1.134 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.465 7.546 0.328 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.092 3.505 3.061 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.989 7.594 2.255 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.300 5.574 3.629 1.00 0.00 H new ATOM 347 N VAL A 27 -0.064 8.142 0.022 1.00 0.00 N ATOM 348 CA VAL A 27 0.046 9.413 0.729 1.00 0.00 C ATOM 349 C VAL A 27 -0.707 10.517 -0.006 1.00 0.00 C ATOM 350 O VAL A 27 -0.650 10.611 -1.233 1.00 0.00 O ATOM 351 CB VAL A 27 1.517 9.835 0.898 1.00 0.00 C ATOM 352 CG1 VAL A 27 2.244 9.788 -0.437 1.00 0.00 C ATOM 353 CG2 VAL A 27 1.605 11.222 1.515 1.00 0.00 C ATOM 0 H VAL A 27 0.181 8.187 -0.967 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.398 9.268 1.714 1.00 0.00 H new ATOM 0 HB VAL A 27 2.004 9.131 1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.282 10.090 -0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.211 8.773 -0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.760 10.468 -1.139 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.652 11.504 1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.103 11.941 0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.124 11.216 2.493 1.00 0.00 H new ATOM 363 N LEU A 28 -1.410 11.350 0.752 1.00 0.00 N ATOM 364 CA LEU A 28 -2.175 12.450 0.173 1.00 0.00 C ATOM 365 C LEU A 28 -1.739 13.786 0.765 1.00 0.00 C ATOM 366 O LEU A 28 -1.569 13.915 1.977 1.00 0.00 O ATOM 367 CB LEU A 28 -3.671 12.238 0.412 1.00 0.00 C ATOM 368 CG LEU A 28 -4.186 10.811 0.217 1.00 0.00 C ATOM 369 CD1 LEU A 28 -5.397 10.556 1.101 1.00 0.00 C ATOM 370 CD2 LEU A 28 -4.528 10.562 -1.245 1.00 0.00 C ATOM 0 H LEU A 28 -1.467 11.286 1.768 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.984 12.468 -0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.904 12.551 1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.223 12.897 -0.258 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.397 10.117 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.750 9.536 0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.120 10.692 2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.191 11.257 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.893 9.542 -1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.300 11.263 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.637 10.703 -1.856 1.00 0.00 H new ATOM 382 N SER A 29 -1.560 14.780 -0.100 1.00 0.00 N ATOM 383 CA SER A 29 -1.142 16.107 0.337 1.00 0.00 C ATOM 384 C SER A 29 -2.185 17.156 -0.038 1.00 0.00 C ATOM 385 O SER A 29 -2.776 17.103 -1.117 1.00 0.00 O ATOM 386 CB SER A 29 0.208 16.470 -0.284 1.00 0.00 C ATOM 387 OG SER A 29 0.130 16.489 -1.699 1.00 0.00 O ATOM 0 H SER A 29 -1.698 14.691 -1.107 1.00 0.00 H new ATOM 0 HA SER A 29 -1.042 16.090 1.422 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.528 17.447 0.079 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.963 15.750 0.032 1.00 0.00 H new ATOM 0 HG SER A 29 1.005 16.725 -2.072 1.00 0.00 H new ATOM 393 N CYS A 30 -2.405 18.110 0.860 1.00 0.00 N ATOM 394 CA CYS A 30 -3.377 19.171 0.627 1.00 0.00 C ATOM 395 C CYS A 30 -2.774 20.538 0.941 1.00 0.00 C ATOM 396 O CYS A 30 -2.256 20.764 2.035 1.00 0.00 O ATOM 397 CB CYS A 30 -4.627 18.945 1.479 1.00 0.00 C ATOM 398 SG CYS A 30 -6.000 20.081 1.102 1.00 0.00 S ATOM 0 H CYS A 30 -1.923 18.170 1.757 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.656 19.148 -0.426 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.969 17.920 1.338 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.361 19.051 2.531 1.00 0.00 H new ATOM 403 N VAL A 31 -2.847 21.447 -0.026 1.00 0.00 N ATOM 404 CA VAL A 31 -2.311 22.792 0.147 1.00 0.00 C ATOM 405 C VAL A 31 -3.413 23.841 0.041 1.00 0.00 C ATOM 406 O VAL A 31 -4.210 23.826 -0.896 1.00 0.00 O ATOM 407 CB VAL A 31 -1.222 23.101 -0.897 1.00 0.00 C ATOM 408 CG1 VAL A 31 -0.648 24.492 -0.675 1.00 0.00 C ATOM 409 CG2 VAL A 31 -0.125 22.048 -0.849 1.00 0.00 C ATOM 0 H VAL A 31 -3.272 21.276 -0.937 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.870 22.831 1.143 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.675 23.076 -1.888 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.120 24.692 -1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.443 25.232 -0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.209 24.550 0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.636 22.282 -1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.327 22.039 0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.552 21.068 -1.062 1.00 0.00 H new ATOM 419 N ALA A 32 -3.451 24.750 1.009 1.00 0.00 N ATOM 420 CA ALA A 32 -4.453 25.809 1.024 1.00 0.00 C ATOM 421 C ALA A 32 -3.960 27.021 1.806 1.00 0.00 C ATOM 422 O ALA A 32 -3.240 26.884 2.796 1.00 0.00 O ATOM 423 CB ALA A 32 -5.758 25.292 1.614 1.00 0.00 C ATOM 0 H ALA A 32 -2.799 24.775 1.793 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.631 26.122 -0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.497 26.093 1.619 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.126 24.462 1.011 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.586 24.951 2.635 1.00 0.00 H new ATOM 429 N THR A 33 -4.352 28.209 1.356 1.00 0.00 N ATOM 430 CA THR A 33 -3.948 29.446 2.013 1.00 0.00 C ATOM 431 C THR A 33 -4.872 29.776 3.179 1.00 0.00 C ATOM 432 O THR A 33 -5.845 29.068 3.433 1.00 0.00 O ATOM 433 CB THR A 33 -3.942 30.630 1.027 1.00 0.00 C ATOM 434 OG1 THR A 33 -5.271 31.135 0.860 1.00 0.00 O ATOM 435 CG2 THR A 33 -3.381 30.207 -0.323 1.00 0.00 C ATOM 0 H THR A 33 -4.949 28.341 0.539 1.00 0.00 H new ATOM 0 HA THR A 33 -2.936 29.289 2.387 1.00 0.00 H new ATOM 0 HB THR A 33 -3.305 31.413 1.438 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.258 31.888 0.233 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.387 31.059 -1.003 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.359 29.850 -0.197 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.995 29.408 -0.738 1.00 0.00 H new ATOM 443 N GLY A 34 -4.561 30.858 3.887 1.00 0.00 N ATOM 444 CA GLY A 34 -5.374 31.263 5.019 1.00 0.00 C ATOM 445 C GLY A 34 -4.539 31.668 6.217 1.00 0.00 C ATOM 446 O GLY A 34 -3.685 30.907 6.672 1.00 0.00 O ATOM 0 H GLY A 34 -3.761 31.461 3.697 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.011 32.097 4.725 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.034 30.442 5.301 1.00 0.00 H new ATOM 450 N SER A 35 -4.785 32.869 6.730 1.00 0.00 N ATOM 451 CA SER A 35 -4.045 33.375 7.880 1.00 0.00 C ATOM 452 C SER A 35 -4.964 33.542 9.087 1.00 0.00 C ATOM 453 O SER A 35 -5.980 34.236 9.034 1.00 0.00 O ATOM 454 CB SER A 35 -3.384 34.713 7.540 1.00 0.00 C ATOM 455 OG SER A 35 -2.191 34.518 6.800 1.00 0.00 O ATOM 0 H SER A 35 -5.491 33.510 6.368 1.00 0.00 H new ATOM 0 HA SER A 35 -3.272 32.649 8.131 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.076 35.329 6.965 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.162 35.256 8.458 1.00 0.00 H new ATOM 0 HG SER A 35 -1.788 35.387 6.593 1.00 0.00 H new ATOM 461 N PRO A 36 -4.601 32.890 10.201 1.00 0.00 N ATOM 462 CA PRO A 36 -3.394 32.060 10.274 1.00 0.00 C ATOM 463 C PRO A 36 -3.518 30.784 9.450 1.00 0.00 C ATOM 464 O PRO A 36 -4.587 30.471 8.927 1.00 0.00 O ATOM 465 CB PRO A 36 -3.284 31.726 11.764 1.00 0.00 C ATOM 466 CG PRO A 36 -4.678 31.828 12.279 1.00 0.00 C ATOM 467 CD PRO A 36 -5.339 32.912 11.474 1.00 0.00 C ATOM 0 HA PRO A 36 -2.521 32.574 9.872 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -2.878 30.726 11.917 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.620 32.422 12.278 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.206 30.881 12.166 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.685 32.072 13.341 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.400 32.712 11.327 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.262 33.882 11.966 1.00 0.00 H new ATOM 475 N VAL A 37 -2.416 30.048 9.338 1.00 0.00 N ATOM 476 CA VAL A 37 -2.402 28.803 8.579 1.00 0.00 C ATOM 477 C VAL A 37 -3.622 27.948 8.902 1.00 0.00 C ATOM 478 O VAL A 37 -3.981 27.749 10.063 1.00 0.00 O ATOM 479 CB VAL A 37 -1.126 27.988 8.862 1.00 0.00 C ATOM 480 CG1 VAL A 37 -1.226 27.293 10.211 1.00 0.00 C ATOM 481 CG2 VAL A 37 -0.882 26.979 7.750 1.00 0.00 C ATOM 0 H VAL A 37 -1.522 30.293 9.763 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.423 29.075 7.524 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.278 28.672 8.894 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.316 26.722 10.394 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.351 28.039 10.996 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.083 26.620 10.211 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.023 26.412 7.966 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.730 26.298 7.684 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.764 27.504 6.802 1.00 0.00 H new ATOM 491 N PRO A 38 -4.275 27.428 7.852 1.00 0.00 N ATOM 492 CA PRO A 38 -5.464 26.584 7.999 1.00 0.00 C ATOM 493 C PRO A 38 -5.137 25.219 8.595 1.00 0.00 C ATOM 494 O PRO A 38 -4.016 24.725 8.464 1.00 0.00 O ATOM 495 CB PRO A 38 -5.971 26.432 6.563 1.00 0.00 C ATOM 496 CG PRO A 38 -4.764 26.630 5.712 1.00 0.00 C ATOM 497 CD PRO A 38 -3.902 27.624 6.441 1.00 0.00 C ATOM 0 HA PRO A 38 -6.193 27.024 8.679 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.413 25.449 6.401 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.741 27.169 6.335 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.234 25.690 5.562 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.039 27.002 4.725 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.842 27.434 6.275 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.098 28.644 6.111 1.00 0.00 H new ATOM 505 N THR A 39 -6.121 24.614 9.252 1.00 0.00 N ATOM 506 CA THR A 39 -5.937 23.306 9.869 1.00 0.00 C ATOM 507 C THR A 39 -6.261 22.185 8.889 1.00 0.00 C ATOM 508 O THR A 39 -7.423 21.962 8.549 1.00 0.00 O ATOM 509 CB THR A 39 -6.819 23.148 11.122 1.00 0.00 C ATOM 510 OG1 THR A 39 -6.820 24.364 11.877 1.00 0.00 O ATOM 511 CG2 THR A 39 -6.320 22.005 11.994 1.00 0.00 C ATOM 0 H THR A 39 -7.054 25.009 9.371 1.00 0.00 H new ATOM 0 HA THR A 39 -4.889 23.238 10.160 1.00 0.00 H new ATOM 0 HB THR A 39 -7.835 22.921 10.798 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.384 24.256 12.671 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.958 21.912 12.873 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.348 21.075 11.426 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.296 22.208 12.309 1.00 0.00 H new ATOM 519 N ILE A 40 -5.227 21.482 8.438 1.00 0.00 N ATOM 520 CA ILE A 40 -5.403 20.382 7.498 1.00 0.00 C ATOM 521 C ILE A 40 -5.871 19.118 8.212 1.00 0.00 C ATOM 522 O ILE A 40 -5.105 18.483 8.938 1.00 0.00 O ATOM 523 CB ILE A 40 -4.099 20.077 6.739 1.00 0.00 C ATOM 524 CG1 ILE A 40 -3.608 21.325 6.002 1.00 0.00 C ATOM 525 CG2 ILE A 40 -4.310 18.928 5.764 1.00 0.00 C ATOM 526 CD1 ILE A 40 -4.487 21.724 4.837 1.00 0.00 C ATOM 0 H ILE A 40 -4.259 21.655 8.709 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.164 20.696 6.784 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.337 19.781 7.460 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.553 22.155 6.706 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.596 21.148 5.639 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.379 18.724 5.235 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.618 18.038 6.312 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.084 19.198 5.046 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.079 22.616 4.362 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.522 20.911 4.112 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.495 21.933 5.196 1.00 0.00 H new ATOM 538 N LEU A 41 -7.132 18.758 7.999 1.00 0.00 N ATOM 539 CA LEU A 41 -7.702 17.568 8.621 1.00 0.00 C ATOM 540 C LEU A 41 -7.829 16.433 7.609 1.00 0.00 C ATOM 541 O LEU A 41 -7.506 16.598 6.433 1.00 0.00 O ATOM 542 CB LEU A 41 -9.073 17.888 9.220 1.00 0.00 C ATOM 543 CG LEU A 41 -9.064 18.639 10.551 1.00 0.00 C ATOM 544 CD1 LEU A 41 -7.991 18.081 11.473 1.00 0.00 C ATOM 545 CD2 LEU A 41 -8.851 20.129 10.322 1.00 0.00 C ATOM 0 H LEU A 41 -7.779 19.273 7.401 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.031 17.247 9.417 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.635 18.478 8.496 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.615 16.952 9.357 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.033 18.500 11.030 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.000 18.629 12.415 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.188 17.026 11.664 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.014 18.188 11.001 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.848 20.648 11.281 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.896 20.287 9.820 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.657 20.520 9.701 1.00 0.00 H new ATOM 557 N TRP A 42 -8.303 15.283 8.075 1.00 0.00 N ATOM 558 CA TRP A 42 -8.475 14.121 7.210 1.00 0.00 C ATOM 559 C TRP A 42 -9.720 13.333 7.599 1.00 0.00 C ATOM 560 O TRP A 42 -10.199 13.428 8.729 1.00 0.00 O ATOM 561 CB TRP A 42 -7.242 13.219 7.282 1.00 0.00 C ATOM 562 CG TRP A 42 -6.035 13.808 6.616 1.00 0.00 C ATOM 563 CD1 TRP A 42 -4.947 14.360 7.229 1.00 0.00 C ATOM 564 CD2 TRP A 42 -5.795 13.904 5.207 1.00 0.00 C ATOM 565 NE1 TRP A 42 -4.046 14.794 6.288 1.00 0.00 N ATOM 566 CE2 TRP A 42 -4.542 14.525 5.040 1.00 0.00 C ATOM 567 CE3 TRP A 42 -6.516 13.524 4.072 1.00 0.00 C ATOM 568 CZ2 TRP A 42 -3.998 14.774 3.783 1.00 0.00 C ATOM 569 CZ3 TRP A 42 -5.975 13.773 2.825 1.00 0.00 C ATOM 570 CH2 TRP A 42 -4.726 14.392 2.688 1.00 0.00 C ATOM 0 H TRP A 42 -8.575 15.130 9.046 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.597 14.476 6.187 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.009 13.017 8.327 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.474 12.261 6.816 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -4.814 14.443 8.298 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -3.152 15.244 6.486 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.479 13.044 4.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.035 15.252 3.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.525 13.485 1.941 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.329 14.571 1.700 1.00 0.00 H new ATOM 581 N ARG A 43 -10.241 12.555 6.655 1.00 0.00 N ATOM 582 CA ARG A 43 -11.432 11.751 6.900 1.00 0.00 C ATOM 583 C ARG A 43 -11.239 10.324 6.393 1.00 0.00 C ATOM 584 O ARG A 43 -10.492 10.087 5.443 1.00 0.00 O ATOM 585 CB ARG A 43 -12.649 12.384 6.223 1.00 0.00 C ATOM 586 CG ARG A 43 -13.087 13.694 6.857 1.00 0.00 C ATOM 587 CD ARG A 43 -14.448 14.134 6.343 1.00 0.00 C ATOM 588 NE ARG A 43 -14.380 14.635 4.973 1.00 0.00 N ATOM 589 CZ ARG A 43 -15.347 15.342 4.400 1.00 0.00 C ATOM 590 NH1 ARG A 43 -16.451 15.632 5.076 1.00 0.00 N ATOM 591 NH2 ARG A 43 -15.212 15.762 3.149 1.00 0.00 N ATOM 0 H ARG A 43 -9.857 12.465 5.714 1.00 0.00 H new ATOM 0 HA ARG A 43 -11.601 11.716 7.976 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -12.420 12.558 5.172 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -13.480 11.679 6.256 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -13.125 13.580 7.940 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.349 14.467 6.644 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -15.141 13.294 6.388 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -14.847 14.912 6.994 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.544 14.431 4.426 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -16.559 15.312 6.038 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -17.192 16.175 4.633 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.365 15.542 2.626 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -15.956 16.305 2.710 1.00 0.00 H new ATOM 605 N LYS A 44 -11.917 9.378 7.033 1.00 0.00 N ATOM 606 CA LYS A 44 -11.822 7.975 6.648 1.00 0.00 C ATOM 607 C LYS A 44 -13.202 7.328 6.602 1.00 0.00 C ATOM 608 O LYS A 44 -13.729 6.894 7.627 1.00 0.00 O ATOM 609 CB LYS A 44 -10.923 7.215 7.627 1.00 0.00 C ATOM 610 CG LYS A 44 -11.006 5.706 7.482 1.00 0.00 C ATOM 611 CD LYS A 44 -9.694 5.037 7.859 1.00 0.00 C ATOM 612 CE LYS A 44 -9.483 3.747 7.082 1.00 0.00 C ATOM 613 NZ LYS A 44 -10.074 2.574 7.783 1.00 0.00 N ATOM 0 H LYS A 44 -12.539 9.557 7.821 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.385 7.927 5.651 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.890 7.530 7.478 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.196 7.489 8.646 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.806 5.322 8.115 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.263 5.452 6.454 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.867 5.720 7.664 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.687 4.824 8.928 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.930 3.842 6.093 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.416 3.582 6.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.321 1.897 8.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.544 2.891 8.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.770 2.113 7.162 1.00 0.00 H new ATOM 627 N ASP A 45 -13.782 7.266 5.409 1.00 0.00 N ATOM 628 CA ASP A 45 -15.101 6.669 5.229 1.00 0.00 C ATOM 629 C ASP A 45 -16.104 7.262 6.214 1.00 0.00 C ATOM 630 O ASP A 45 -16.802 6.535 6.918 1.00 0.00 O ATOM 631 CB ASP A 45 -15.027 5.152 5.409 1.00 0.00 C ATOM 632 CG ASP A 45 -14.709 4.431 4.114 1.00 0.00 C ATOM 633 OD1 ASP A 45 -15.200 4.872 3.054 1.00 0.00 O ATOM 634 OD2 ASP A 45 -13.971 3.424 4.161 1.00 0.00 O ATOM 0 H ASP A 45 -13.360 7.622 4.551 1.00 0.00 H new ATOM 0 HA ASP A 45 -15.438 6.891 4.216 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -14.265 4.914 6.151 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -15.977 4.789 5.800 1.00 0.00 H new ATOM 639 N GLY A 46 -16.168 8.590 6.258 1.00 0.00 N ATOM 640 CA GLY A 46 -17.088 9.258 7.161 1.00 0.00 C ATOM 641 C GLY A 46 -16.573 9.301 8.586 1.00 0.00 C ATOM 642 O GLY A 46 -17.234 9.834 9.477 1.00 0.00 O ATOM 0 H GLY A 46 -15.600 9.214 5.685 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -17.262 10.275 6.810 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.049 8.745 7.141 1.00 0.00 H new ATOM 646 N VAL A 47 -15.388 8.738 8.803 1.00 0.00 N ATOM 647 CA VAL A 47 -14.785 8.714 10.130 1.00 0.00 C ATOM 648 C VAL A 47 -13.462 9.472 10.146 1.00 0.00 C ATOM 649 O VAL A 47 -12.494 9.067 9.500 1.00 0.00 O ATOM 650 CB VAL A 47 -14.543 7.271 10.610 1.00 0.00 C ATOM 651 CG1 VAL A 47 -14.071 7.261 12.056 1.00 0.00 C ATOM 652 CG2 VAL A 47 -15.805 6.437 10.447 1.00 0.00 C ATOM 0 H VAL A 47 -14.827 8.293 8.077 1.00 0.00 H new ATOM 0 HA VAL A 47 -15.488 9.201 10.806 1.00 0.00 H new ATOM 0 HB VAL A 47 -13.760 6.828 9.994 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -13.905 6.233 12.378 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -13.140 7.822 12.139 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -14.829 7.721 12.689 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -15.616 5.420 10.791 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -16.610 6.876 11.037 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -16.094 6.417 9.396 1.00 0.00 H new ATOM 662 N LEU A 48 -13.426 10.573 10.888 1.00 0.00 N ATOM 663 CA LEU A 48 -12.220 11.388 10.989 1.00 0.00 C ATOM 664 C LEU A 48 -11.004 10.525 11.311 1.00 0.00 C ATOM 665 O LEU A 48 -11.118 9.498 11.980 1.00 0.00 O ATOM 666 CB LEU A 48 -12.396 12.462 12.064 1.00 0.00 C ATOM 667 CG LEU A 48 -13.436 13.543 11.769 1.00 0.00 C ATOM 668 CD1 LEU A 48 -13.032 14.862 12.411 1.00 0.00 C ATOM 669 CD2 LEU A 48 -13.618 13.712 10.268 1.00 0.00 C ATOM 0 H LEU A 48 -14.217 10.922 11.428 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.055 11.870 10.025 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.667 11.971 12.999 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.433 12.947 12.226 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.388 13.231 12.197 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.784 15.619 12.190 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -12.953 14.732 13.490 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -12.069 15.180 12.013 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.362 14.485 10.076 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -12.669 14.002 9.817 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.954 12.770 9.834 1.00 0.00 H new ATOM 681 N VAL A 49 -9.840 10.950 10.831 1.00 0.00 N ATOM 682 CA VAL A 49 -8.602 10.218 11.070 1.00 0.00 C ATOM 683 C VAL A 49 -8.024 10.548 12.442 1.00 0.00 C ATOM 684 O VAL A 49 -8.000 11.707 12.854 1.00 0.00 O ATOM 685 CB VAL A 49 -7.547 10.532 9.992 1.00 0.00 C ATOM 686 CG1 VAL A 49 -6.343 9.614 10.139 1.00 0.00 C ATOM 687 CG2 VAL A 49 -8.154 10.412 8.603 1.00 0.00 C ATOM 0 H VAL A 49 -9.728 11.797 10.274 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.849 9.157 11.028 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.208 11.559 10.128 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.609 9.851 9.369 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.896 9.755 11.123 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.661 8.577 10.031 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.395 10.637 7.854 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.522 9.397 8.453 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.981 11.116 8.505 1.00 0.00 H new ATOM 697 N SER A 50 -7.559 9.520 13.145 1.00 0.00 N ATOM 698 CA SER A 50 -6.984 9.700 14.473 1.00 0.00 C ATOM 699 C SER A 50 -5.496 10.020 14.382 1.00 0.00 C ATOM 700 O SER A 50 -4.827 10.220 15.397 1.00 0.00 O ATOM 701 CB SER A 50 -7.196 8.442 15.318 1.00 0.00 C ATOM 702 OG SER A 50 -8.464 8.459 15.950 1.00 0.00 O ATOM 0 H SER A 50 -7.569 8.554 12.817 1.00 0.00 H new ATOM 0 HA SER A 50 -7.490 10.540 14.950 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.113 7.558 14.686 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.412 8.370 16.072 1.00 0.00 H new ATOM 0 HG SER A 50 -8.575 7.644 16.482 1.00 0.00 H new ATOM 708 N THR A 51 -4.981 10.068 13.157 1.00 0.00 N ATOM 709 CA THR A 51 -3.572 10.363 12.931 1.00 0.00 C ATOM 710 C THR A 51 -2.710 9.838 14.073 1.00 0.00 C ATOM 711 O THR A 51 -1.723 10.464 14.456 1.00 0.00 O ATOM 712 CB THR A 51 -3.332 11.877 12.776 1.00 0.00 C ATOM 713 OG1 THR A 51 -4.279 12.605 13.566 1.00 0.00 O ATOM 714 CG2 THR A 51 -3.450 12.297 11.319 1.00 0.00 C ATOM 0 H THR A 51 -5.520 9.906 12.306 1.00 0.00 H new ATOM 0 HA THR A 51 -3.289 9.861 12.006 1.00 0.00 H new ATOM 0 HB THR A 51 -2.323 12.101 13.121 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.120 13.567 13.464 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.277 13.370 11.234 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.709 11.762 10.725 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.449 12.061 10.952 1.00 0.00 H new ATOM 722 N GLN A 52 -3.090 8.684 14.613 1.00 0.00 N ATOM 723 CA GLN A 52 -2.351 8.075 15.712 1.00 0.00 C ATOM 724 C GLN A 52 -1.856 6.683 15.331 1.00 0.00 C ATOM 725 O GLN A 52 -0.733 6.302 15.659 1.00 0.00 O ATOM 726 CB GLN A 52 -3.229 7.993 16.962 1.00 0.00 C ATOM 727 CG GLN A 52 -4.459 7.117 16.785 1.00 0.00 C ATOM 728 CD GLN A 52 -4.200 5.668 17.150 1.00 0.00 C ATOM 729 OE1 GLN A 52 -4.342 4.772 16.318 1.00 0.00 O ATOM 730 NE2 GLN A 52 -3.820 5.431 18.400 1.00 0.00 N ATOM 0 H GLN A 52 -3.905 8.153 14.307 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.485 8.702 15.925 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.634 7.606 17.789 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.546 8.998 17.240 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.269 7.505 17.403 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.794 7.173 15.749 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.715 6.205 19.056 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.633 4.475 18.704 1.00 0.00 H new ATOM 739 N ASP A 53 -2.703 5.930 14.638 1.00 0.00 N ATOM 740 CA ASP A 53 -2.352 4.580 14.212 1.00 0.00 C ATOM 741 C ASP A 53 -1.076 4.589 13.376 1.00 0.00 C ATOM 742 O ASP A 53 -0.978 5.309 12.382 1.00 0.00 O ATOM 743 CB ASP A 53 -3.498 3.961 13.410 1.00 0.00 C ATOM 744 CG ASP A 53 -3.209 2.532 12.995 1.00 0.00 C ATOM 745 OD1 ASP A 53 -2.034 2.116 13.078 1.00 0.00 O ATOM 746 OD2 ASP A 53 -4.158 1.830 12.588 1.00 0.00 O ATOM 0 H ASP A 53 -3.637 6.231 14.359 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.177 3.978 15.104 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.410 3.986 14.007 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.683 4.564 12.521 1.00 0.00 H new ATOM 751 N SER A 54 -0.101 3.784 13.785 1.00 0.00 N ATOM 752 CA SER A 54 1.171 3.703 13.077 1.00 0.00 C ATOM 753 C SER A 54 0.967 3.869 11.574 1.00 0.00 C ATOM 754 O SER A 54 1.740 4.554 10.903 1.00 0.00 O ATOM 755 CB SER A 54 1.855 2.366 13.365 1.00 0.00 C ATOM 756 OG SER A 54 2.650 2.441 14.536 1.00 0.00 O ATOM 0 H SER A 54 -0.168 3.178 14.603 1.00 0.00 H new ATOM 0 HA SER A 54 1.808 4.513 13.432 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.102 1.587 13.482 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.478 2.082 12.517 1.00 0.00 H new ATOM 0 HG SER A 54 3.075 1.573 14.699 1.00 0.00 H new ATOM 762 N ARG A 55 -0.079 3.238 11.052 1.00 0.00 N ATOM 763 CA ARG A 55 -0.385 3.313 9.628 1.00 0.00 C ATOM 764 C ARG A 55 -0.370 4.761 9.145 1.00 0.00 C ATOM 765 O ARG A 55 0.287 5.089 8.157 1.00 0.00 O ATOM 766 CB ARG A 55 -1.749 2.684 9.344 1.00 0.00 C ATOM 767 CG ARG A 55 -1.806 1.193 9.638 1.00 0.00 C ATOM 768 CD ARG A 55 -3.070 0.562 9.077 1.00 0.00 C ATOM 769 NE ARG A 55 -4.231 0.813 9.928 1.00 0.00 N ATOM 770 CZ ARG A 55 -4.969 1.914 9.858 1.00 0.00 C ATOM 771 NH1 ARG A 55 -4.671 2.862 8.980 1.00 0.00 N ATOM 772 NH2 ARG A 55 -6.010 2.069 10.666 1.00 0.00 N ATOM 0 H ARG A 55 -0.729 2.669 11.594 1.00 0.00 H new ATOM 0 HA ARG A 55 0.382 2.759 9.087 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.506 3.193 9.941 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.005 2.849 8.297 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.932 0.703 9.209 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.765 1.032 10.715 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.260 0.957 8.079 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.923 -0.513 8.972 1.00 0.00 H new ATOM 0 HE ARG A 55 -4.488 0.103 10.614 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.873 2.746 8.356 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.240 3.707 8.929 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -6.244 1.342 11.342 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.576 2.916 10.611 1.00 0.00 H new ATOM 786 N ILE A 56 -1.098 5.621 9.849 1.00 0.00 N ATOM 787 CA ILE A 56 -1.168 7.033 9.493 1.00 0.00 C ATOM 788 C ILE A 56 -0.072 7.831 10.190 1.00 0.00 C ATOM 789 O ILE A 56 0.110 7.728 11.403 1.00 0.00 O ATOM 790 CB ILE A 56 -2.537 7.638 9.855 1.00 0.00 C ATOM 791 CG1 ILE A 56 -3.662 6.854 9.174 1.00 0.00 C ATOM 792 CG2 ILE A 56 -2.591 9.105 9.455 1.00 0.00 C ATOM 793 CD1 ILE A 56 -4.191 5.709 10.010 1.00 0.00 C ATOM 0 H ILE A 56 -1.648 5.365 10.669 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.027 7.093 8.414 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.673 7.570 10.934 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.482 7.535 8.945 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.298 6.462 8.224 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.565 9.518 9.717 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.810 9.654 9.981 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.437 9.195 8.380 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.985 5.198 9.466 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.384 5.007 10.218 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.586 6.096 10.949 1.00 0.00 H new ATOM 805 N LYS A 57 0.656 8.629 9.415 1.00 0.00 N ATOM 806 CA LYS A 57 1.733 9.448 9.958 1.00 0.00 C ATOM 807 C LYS A 57 1.849 10.766 9.199 1.00 0.00 C ATOM 808 O LYS A 57 1.936 10.780 7.971 1.00 0.00 O ATOM 809 CB LYS A 57 3.061 8.691 9.891 1.00 0.00 C ATOM 810 CG LYS A 57 4.245 9.493 10.401 1.00 0.00 C ATOM 811 CD LYS A 57 5.418 8.594 10.755 1.00 0.00 C ATOM 812 CE LYS A 57 6.735 9.354 10.717 1.00 0.00 C ATOM 813 NZ LYS A 57 6.851 10.318 11.847 1.00 0.00 N ATOM 0 H LYS A 57 0.519 8.726 8.409 1.00 0.00 H new ATOM 0 HA LYS A 57 1.499 9.667 11.000 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.976 7.774 10.474 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.250 8.397 8.859 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.553 10.212 9.641 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.946 10.065 11.279 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.268 8.173 11.749 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.460 7.757 10.058 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.564 8.647 10.756 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.818 9.890 9.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.762 10.816 11.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.075 11.008 11.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.798 9.803 12.749 1.00 0.00 H new ATOM 827 N GLN A 58 1.850 11.871 9.937 1.00 0.00 N ATOM 828 CA GLN A 58 1.955 13.194 9.333 1.00 0.00 C ATOM 829 C GLN A 58 3.415 13.567 9.093 1.00 0.00 C ATOM 830 O GLN A 58 4.123 13.969 10.018 1.00 0.00 O ATOM 831 CB GLN A 58 1.288 14.241 10.226 1.00 0.00 C ATOM 832 CG GLN A 58 -0.196 14.419 9.950 1.00 0.00 C ATOM 833 CD GLN A 58 -0.793 15.592 10.702 1.00 0.00 C ATOM 834 OE1 GLN A 58 -0.180 16.129 11.626 1.00 0.00 O ATOM 835 NE2 GLN A 58 -1.996 15.997 10.311 1.00 0.00 N ATOM 0 H GLN A 58 1.779 11.877 10.955 1.00 0.00 H new ATOM 0 HA GLN A 58 1.442 13.169 8.372 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.423 13.956 11.269 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.792 15.198 10.089 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.348 14.563 8.880 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.725 13.507 10.227 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.468 15.523 9.541 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.448 16.782 10.781 1.00 0.00 H new ATOM 844 N LEU A 59 3.858 13.433 7.849 1.00 0.00 N ATOM 845 CA LEU A 59 5.234 13.756 7.487 1.00 0.00 C ATOM 846 C LEU A 59 5.666 15.077 8.116 1.00 0.00 C ATOM 847 O LEU A 59 6.427 15.096 9.082 1.00 0.00 O ATOM 848 CB LEU A 59 5.379 13.830 5.966 1.00 0.00 C ATOM 849 CG LEU A 59 5.144 12.525 5.205 1.00 0.00 C ATOM 850 CD1 LEU A 59 5.740 11.350 5.965 1.00 0.00 C ATOM 851 CD2 LEU A 59 3.657 12.308 4.965 1.00 0.00 C ATOM 0 H LEU A 59 3.285 13.103 7.073 1.00 0.00 H new ATOM 0 HA LEU A 59 5.879 12.965 7.868 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.680 14.577 5.590 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.382 14.187 5.734 1.00 0.00 H new ATOM 0 HG LEU A 59 5.641 12.596 4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.563 10.430 5.409 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.813 11.501 6.085 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.272 11.276 6.946 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.508 11.375 4.422 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.138 12.258 5.922 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.258 13.136 4.379 1.00 0.00 H new ATOM 863 N GLU A 60 5.172 16.180 7.561 1.00 0.00 N ATOM 864 CA GLU A 60 5.506 17.505 8.069 1.00 0.00 C ATOM 865 C GLU A 60 4.243 18.307 8.370 1.00 0.00 C ATOM 866 O GLU A 60 4.011 18.716 9.507 1.00 0.00 O ATOM 867 CB GLU A 60 6.373 18.259 7.059 1.00 0.00 C ATOM 868 CG GLU A 60 6.094 17.879 5.614 1.00 0.00 C ATOM 869 CD GLU A 60 7.204 18.308 4.674 1.00 0.00 C ATOM 870 OE1 GLU A 60 8.381 18.269 5.089 1.00 0.00 O ATOM 871 OE2 GLU A 60 6.896 18.682 3.523 1.00 0.00 O ATOM 0 H GLU A 60 4.540 16.182 6.760 1.00 0.00 H new ATOM 0 HA GLU A 60 6.066 17.380 8.996 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.211 19.330 7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.423 18.068 7.280 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.962 16.799 5.545 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.157 18.336 5.296 1.00 0.00 H new ATOM 878 N ASN A 61 3.430 18.528 7.342 1.00 0.00 N ATOM 879 CA ASN A 61 2.191 19.282 7.495 1.00 0.00 C ATOM 880 C ASN A 61 1.305 19.129 6.263 1.00 0.00 C ATOM 881 O ASN A 61 1.728 19.408 5.142 1.00 0.00 O ATOM 882 CB ASN A 61 2.497 20.762 7.737 1.00 0.00 C ATOM 883 CG ASN A 61 3.579 21.287 6.813 1.00 0.00 C ATOM 884 OD1 ASN A 61 4.760 21.293 7.163 1.00 0.00 O ATOM 885 ND2 ASN A 61 3.181 21.731 5.627 1.00 0.00 N ATOM 0 H ASN A 61 3.607 18.196 6.394 1.00 0.00 H new ATOM 0 HA ASN A 61 1.656 18.883 8.357 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.588 21.346 7.596 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.808 20.901 8.772 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.864 22.096 4.964 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.192 21.707 5.379 1.00 0.00 H new ATOM 892 N GLY A 62 0.071 18.682 6.480 1.00 0.00 N ATOM 893 CA GLY A 62 -0.856 18.500 5.378 1.00 0.00 C ATOM 894 C GLY A 62 -0.583 17.231 4.595 1.00 0.00 C ATOM 895 O GLY A 62 -1.405 16.804 3.784 1.00 0.00 O ATOM 0 H GLY A 62 -0.303 18.443 7.399 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.875 18.473 5.765 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.792 19.358 4.708 1.00 0.00 H new ATOM 899 N VAL A 63 0.576 16.626 4.836 1.00 0.00 N ATOM 900 CA VAL A 63 0.956 15.399 4.147 1.00 0.00 C ATOM 901 C VAL A 63 0.694 14.176 5.018 1.00 0.00 C ATOM 902 O VAL A 63 1.367 13.963 6.028 1.00 0.00 O ATOM 903 CB VAL A 63 2.442 15.419 3.743 1.00 0.00 C ATOM 904 CG1 VAL A 63 2.739 14.310 2.745 1.00 0.00 C ATOM 905 CG2 VAL A 63 2.820 16.777 3.171 1.00 0.00 C ATOM 0 H VAL A 63 1.268 16.966 5.504 1.00 0.00 H new ATOM 0 HA VAL A 63 0.344 15.339 3.247 1.00 0.00 H new ATOM 0 HB VAL A 63 3.045 15.245 4.634 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.794 14.340 2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.508 13.344 3.195 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.128 14.450 1.853 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.873 16.773 2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.211 16.983 2.291 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.647 17.549 3.921 1.00 0.00 H new ATOM 915 N LEU A 64 -0.288 13.374 4.623 1.00 0.00 N ATOM 916 CA LEU A 64 -0.640 12.169 5.367 1.00 0.00 C ATOM 917 C LEU A 64 -0.302 10.916 4.567 1.00 0.00 C ATOM 918 O LEU A 64 -0.896 10.658 3.520 1.00 0.00 O ATOM 919 CB LEU A 64 -2.129 12.179 5.717 1.00 0.00 C ATOM 920 CG LEU A 64 -2.559 11.243 6.847 1.00 0.00 C ATOM 921 CD1 LEU A 64 -2.396 11.926 8.196 1.00 0.00 C ATOM 922 CD2 LEU A 64 -3.998 10.791 6.646 1.00 0.00 C ATOM 0 H LEU A 64 -0.855 13.536 3.791 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.057 12.157 6.288 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.411 13.196 5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.694 11.919 4.822 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.917 10.362 6.829 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.707 11.245 8.988 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.351 12.199 8.342 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.013 12.824 8.226 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.287 10.126 7.459 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.655 11.661 6.638 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.084 10.262 5.697 1.00 0.00 H new ATOM 934 N GLN A 65 0.654 10.140 5.068 1.00 0.00 N ATOM 935 CA GLN A 65 1.069 8.912 4.399 1.00 0.00 C ATOM 936 C GLN A 65 0.611 7.685 5.180 1.00 0.00 C ATOM 937 O GLN A 65 1.149 7.378 6.244 1.00 0.00 O ATOM 938 CB GLN A 65 2.589 8.887 4.232 1.00 0.00 C ATOM 939 CG GLN A 65 3.126 7.549 3.748 1.00 0.00 C ATOM 940 CD GLN A 65 4.456 7.679 3.033 1.00 0.00 C ATOM 941 OE1 GLN A 65 4.583 8.427 2.063 1.00 0.00 O ATOM 942 NE2 GLN A 65 5.458 6.948 3.508 1.00 0.00 N ATOM 0 H GLN A 65 1.155 10.339 5.934 1.00 0.00 H new ATOM 0 HA GLN A 65 0.602 8.888 3.415 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.881 9.664 3.525 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.055 9.133 5.186 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.239 6.878 4.599 1.00 0.00 H new ATOM 0 HG3 GLN A 65 2.400 7.092 3.076 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.309 6.341 4.314 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.376 6.993 3.067 1.00 0.00 H new ATOM 951 N ILE A 66 -0.386 6.988 4.645 1.00 0.00 N ATOM 952 CA ILE A 66 -0.916 5.794 5.292 1.00 0.00 C ATOM 953 C ILE A 66 -0.267 4.532 4.734 1.00 0.00 C ATOM 954 O ILE A 66 -0.355 4.254 3.538 1.00 0.00 O ATOM 955 CB ILE A 66 -2.443 5.692 5.121 1.00 0.00 C ATOM 956 CG1 ILE A 66 -3.128 6.927 5.709 1.00 0.00 C ATOM 957 CG2 ILE A 66 -2.966 4.425 5.781 1.00 0.00 C ATOM 958 CD1 ILE A 66 -3.278 8.062 4.720 1.00 0.00 C ATOM 0 H ILE A 66 -0.843 7.229 3.766 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.683 5.880 6.353 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.672 5.645 4.056 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.114 6.645 6.078 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.554 7.277 6.567 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.047 4.367 5.652 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.498 3.555 5.320 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.728 4.444 6.845 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.772 8.904 5.205 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.293 8.371 4.369 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.877 7.729 3.872 1.00 0.00 H new ATOM 970 N ARG A 67 0.383 3.771 5.608 1.00 0.00 N ATOM 971 CA ARG A 67 1.046 2.538 5.202 1.00 0.00 C ATOM 972 C ARG A 67 0.222 1.319 5.606 1.00 0.00 C ATOM 973 O ARG A 67 -0.627 1.397 6.494 1.00 0.00 O ATOM 974 CB ARG A 67 2.440 2.453 5.828 1.00 0.00 C ATOM 975 CG ARG A 67 3.350 3.610 5.446 1.00 0.00 C ATOM 976 CD ARG A 67 3.164 4.796 6.379 1.00 0.00 C ATOM 977 NE ARG A 67 4.390 5.578 6.520 1.00 0.00 N ATOM 978 CZ ARG A 67 5.378 5.252 7.345 1.00 0.00 C ATOM 979 NH1 ARG A 67 5.286 4.164 8.098 1.00 0.00 N ATOM 980 NH2 ARG A 67 6.462 6.014 7.418 1.00 0.00 N ATOM 0 H ARG A 67 0.465 3.987 6.602 1.00 0.00 H new ATOM 0 HA ARG A 67 1.142 2.548 4.116 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.341 2.423 6.913 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.909 1.517 5.524 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.389 3.282 5.475 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.141 3.916 4.421 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.368 5.436 5.998 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.846 4.440 7.359 1.00 0.00 H new ATOM 0 HE ARG A 67 4.493 6.420 5.954 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.455 3.575 8.044 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.047 3.916 8.731 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.537 6.851 6.840 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.220 5.763 8.052 1.00 0.00 H new ATOM 994 N TYR A 68 0.477 0.194 4.948 1.00 0.00 N ATOM 995 CA TYR A 68 -0.243 -1.041 5.235 1.00 0.00 C ATOM 996 C TYR A 68 -1.722 -0.902 4.888 1.00 0.00 C ATOM 997 O TYR A 68 -2.593 -1.298 5.662 1.00 0.00 O ATOM 998 CB TYR A 68 -0.087 -1.415 6.710 1.00 0.00 C ATOM 999 CG TYR A 68 1.349 -1.432 7.182 1.00 0.00 C ATOM 1000 CD1 TYR A 68 2.159 -2.540 6.967 1.00 0.00 C ATOM 1001 CD2 TYR A 68 1.897 -0.339 7.843 1.00 0.00 C ATOM 1002 CE1 TYR A 68 3.472 -2.560 7.397 1.00 0.00 C ATOM 1003 CE2 TYR A 68 3.209 -0.349 8.275 1.00 0.00 C ATOM 1004 CZ TYR A 68 3.992 -1.462 8.050 1.00 0.00 C ATOM 1005 OH TYR A 68 5.300 -1.478 8.479 1.00 0.00 O ATOM 0 H TYR A 68 1.178 0.112 4.211 1.00 0.00 H new ATOM 0 HA TYR A 68 0.183 -1.833 4.619 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -0.652 -0.708 7.317 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.527 -2.399 6.875 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.755 -3.401 6.455 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.286 0.534 8.022 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.087 -3.430 7.223 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.619 0.510 8.786 1.00 0.00 H new ATOM 0 HH TYR A 68 5.510 -0.628 8.919 1.00 0.00 H new ATOM 1015 N ALA A 69 -1.997 -0.338 3.716 1.00 0.00 N ATOM 1016 CA ALA A 69 -3.370 -0.149 3.263 1.00 0.00 C ATOM 1017 C ALA A 69 -4.075 -1.488 3.074 1.00 0.00 C ATOM 1018 O ALA A 69 -3.893 -2.159 2.058 1.00 0.00 O ATOM 1019 CB ALA A 69 -3.393 0.649 1.968 1.00 0.00 C ATOM 0 H ALA A 69 -1.288 -0.004 3.063 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.906 0.409 4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.424 0.783 1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.936 1.624 2.134 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.836 0.113 1.200 1.00 0.00 H new ATOM 1025 N LYS A 70 -4.879 -1.872 4.059 1.00 0.00 N ATOM 1026 CA LYS A 70 -5.613 -3.131 4.002 1.00 0.00 C ATOM 1027 C LYS A 70 -6.924 -2.963 3.241 1.00 0.00 C ATOM 1028 O LYS A 70 -7.373 -1.842 2.998 1.00 0.00 O ATOM 1029 CB LYS A 70 -5.894 -3.646 5.415 1.00 0.00 C ATOM 1030 CG LYS A 70 -4.649 -3.770 6.276 1.00 0.00 C ATOM 1031 CD LYS A 70 -4.964 -3.556 7.747 1.00 0.00 C ATOM 1032 CE LYS A 70 -3.766 -2.997 8.499 1.00 0.00 C ATOM 1033 NZ LYS A 70 -4.127 -2.569 9.878 1.00 0.00 N ATOM 0 H LYS A 70 -5.039 -1.329 4.907 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.997 -3.858 3.473 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.598 -2.973 5.904 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.378 -4.620 5.348 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.207 -4.757 6.138 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.907 -3.040 5.952 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.807 -2.872 7.844 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.268 -4.502 8.196 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.982 -3.753 8.547 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.357 -2.148 7.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.284 -2.194 10.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.857 -1.829 9.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.494 -3.384 10.410 1.00 0.00 H new ATOM 1047 N LEU A 71 -7.534 -4.082 2.868 1.00 0.00 N ATOM 1048 CA LEU A 71 -8.796 -4.059 2.136 1.00 0.00 C ATOM 1049 C LEU A 71 -9.874 -3.332 2.932 1.00 0.00 C ATOM 1050 O LEU A 71 -10.860 -2.855 2.371 1.00 0.00 O ATOM 1051 CB LEU A 71 -9.252 -5.484 1.821 1.00 0.00 C ATOM 1052 CG LEU A 71 -8.415 -6.245 0.792 1.00 0.00 C ATOM 1053 CD1 LEU A 71 -8.681 -7.739 0.887 1.00 0.00 C ATOM 1054 CD2 LEU A 71 -8.706 -5.738 -0.613 1.00 0.00 C ATOM 0 H LEU A 71 -7.175 -5.017 3.060 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.636 -3.521 1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.258 -6.056 2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.281 -5.444 1.465 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.361 -6.070 1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.077 -8.264 0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.421 -8.092 1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.737 -7.933 0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.101 -6.291 -1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.762 -5.882 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.463 -4.677 -0.675 1.00 0.00 H new ATOM 1066 N GLY A 72 -9.679 -3.248 4.245 1.00 0.00 N ATOM 1067 CA GLY A 72 -10.642 -2.576 5.097 1.00 0.00 C ATOM 1068 C GLY A 72 -10.336 -1.101 5.266 1.00 0.00 C ATOM 1069 O GLY A 72 -11.007 -0.404 6.028 1.00 0.00 O ATOM 0 H GLY A 72 -8.871 -3.634 4.733 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.640 -2.691 4.673 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.654 -3.056 6.076 1.00 0.00 H new ATOM 1073 N ASP A 73 -9.320 -0.624 4.555 1.00 0.00 N ATOM 1074 CA ASP A 73 -8.927 0.778 4.630 1.00 0.00 C ATOM 1075 C ASP A 73 -9.589 1.589 3.521 1.00 0.00 C ATOM 1076 O ASP A 73 -9.871 2.776 3.687 1.00 0.00 O ATOM 1077 CB ASP A 73 -7.406 0.909 4.535 1.00 0.00 C ATOM 1078 CG ASP A 73 -6.720 0.671 5.866 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -7.412 0.705 6.905 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -5.491 0.451 5.869 1.00 0.00 O ATOM 0 H ASP A 73 -8.754 -1.187 3.921 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.259 1.171 5.591 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -7.028 0.196 3.802 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.152 1.905 4.172 1.00 0.00 H new ATOM 1085 N THR A 74 -9.836 0.940 2.387 1.00 0.00 N ATOM 1086 CA THR A 74 -10.463 1.600 1.249 1.00 0.00 C ATOM 1087 C THR A 74 -11.572 2.544 1.704 1.00 0.00 C ATOM 1088 O THR A 74 -12.632 2.104 2.147 1.00 0.00 O ATOM 1089 CB THR A 74 -11.050 0.577 0.259 1.00 0.00 C ATOM 1090 OG1 THR A 74 -10.083 -0.440 -0.024 1.00 0.00 O ATOM 1091 CG2 THR A 74 -11.472 1.257 -1.035 1.00 0.00 C ATOM 0 H THR A 74 -9.611 -0.043 2.233 1.00 0.00 H new ATOM 0 HA THR A 74 -9.683 2.173 0.747 1.00 0.00 H new ATOM 0 HB THR A 74 -11.930 0.124 0.716 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.464 -1.088 -0.653 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.884 0.515 -1.719 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.229 2.011 -0.820 1.00 0.00 H new ATOM 0 HG23 THR A 74 -10.606 1.733 -1.495 1.00 0.00 H new ATOM 1099 N GLY A 75 -11.320 3.844 1.590 1.00 0.00 N ATOM 1100 CA GLY A 75 -12.306 4.829 1.993 1.00 0.00 C ATOM 1101 C GLY A 75 -12.122 6.157 1.286 1.00 0.00 C ATOM 1102 O GLY A 75 -11.338 6.262 0.342 1.00 0.00 O ATOM 0 H GLY A 75 -10.450 4.233 1.226 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.305 4.445 1.784 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.242 4.983 3.070 1.00 0.00 H new ATOM 1106 N ARG A 76 -12.847 7.174 1.741 1.00 0.00 N ATOM 1107 CA ARG A 76 -12.761 8.501 1.144 1.00 0.00 C ATOM 1108 C ARG A 76 -11.874 9.418 1.981 1.00 0.00 C ATOM 1109 O ARG A 76 -12.226 9.784 3.103 1.00 0.00 O ATOM 1110 CB ARG A 76 -14.157 9.112 1.005 1.00 0.00 C ATOM 1111 CG ARG A 76 -15.016 8.958 2.249 1.00 0.00 C ATOM 1112 CD ARG A 76 -16.114 10.009 2.301 1.00 0.00 C ATOM 1113 NE ARG A 76 -17.216 9.606 3.171 1.00 0.00 N ATOM 1114 CZ ARG A 76 -18.213 10.413 3.515 1.00 0.00 C ATOM 1115 NH1 ARG A 76 -18.247 11.660 3.065 1.00 0.00 N ATOM 1116 NH2 ARG A 76 -19.180 9.974 4.311 1.00 0.00 N ATOM 0 H ARG A 76 -13.500 7.104 2.521 1.00 0.00 H new ATOM 0 HA ARG A 76 -12.316 8.398 0.154 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.059 10.172 0.771 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -14.666 8.645 0.162 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -15.462 7.963 2.264 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -14.390 9.040 3.137 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -15.697 10.951 2.657 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -16.493 10.188 1.295 1.00 0.00 H new ATOM 0 HE ARG A 76 -17.220 8.653 3.534 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -17.506 12.002 2.453 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -19.014 12.277 3.331 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -19.158 9.016 4.659 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -19.945 10.595 4.574 1.00 0.00 H new ATOM 1130 N TYR A 77 -10.724 9.785 1.429 1.00 0.00 N ATOM 1131 CA TYR A 77 -9.785 10.657 2.126 1.00 0.00 C ATOM 1132 C TYR A 77 -9.872 12.085 1.596 1.00 0.00 C ATOM 1133 O TYR A 77 -9.371 12.391 0.514 1.00 0.00 O ATOM 1134 CB TYR A 77 -8.357 10.130 1.972 1.00 0.00 C ATOM 1135 CG TYR A 77 -8.207 8.672 2.341 1.00 0.00 C ATOM 1136 CD1 TYR A 77 -8.706 7.671 1.516 1.00 0.00 C ATOM 1137 CD2 TYR A 77 -7.567 8.294 3.515 1.00 0.00 C ATOM 1138 CE1 TYR A 77 -8.571 6.337 1.849 1.00 0.00 C ATOM 1139 CE2 TYR A 77 -7.427 6.962 3.855 1.00 0.00 C ATOM 1140 CZ TYR A 77 -7.931 5.988 3.019 1.00 0.00 C ATOM 1141 OH TYR A 77 -7.795 4.661 3.355 1.00 0.00 O ATOM 0 H TYR A 77 -10.419 9.493 0.501 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.051 10.664 3.183 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.036 10.270 0.940 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.690 10.725 2.596 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.208 7.941 0.599 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.172 9.054 4.173 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.965 5.572 1.196 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.926 6.685 4.771 1.00 0.00 H new ATOM 0 HH TYR A 77 -8.680 4.243 3.402 1.00 0.00 H new ATOM 1151 N THR A 78 -10.512 12.958 2.368 1.00 0.00 N ATOM 1152 CA THR A 78 -10.667 14.354 1.979 1.00 0.00 C ATOM 1153 C THR A 78 -9.968 15.281 2.967 1.00 0.00 C ATOM 1154 O THR A 78 -9.982 15.041 4.175 1.00 0.00 O ATOM 1155 CB THR A 78 -12.152 14.749 1.883 1.00 0.00 C ATOM 1156 OG1 THR A 78 -12.717 14.243 0.668 1.00 0.00 O ATOM 1157 CG2 THR A 78 -12.314 16.261 1.932 1.00 0.00 C ATOM 0 H THR A 78 -10.932 12.722 3.267 1.00 0.00 H new ATOM 0 HA THR A 78 -10.207 14.461 0.997 1.00 0.00 H new ATOM 0 HB THR A 78 -12.676 14.315 2.735 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.588 14.897 -0.050 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.371 16.516 1.863 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.910 16.640 2.871 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.777 16.712 1.098 1.00 0.00 H new ATOM 1165 N CYS A 79 -9.359 16.341 2.448 1.00 0.00 N ATOM 1166 CA CYS A 79 -8.655 17.305 3.285 1.00 0.00 C ATOM 1167 C CYS A 79 -9.551 18.496 3.614 1.00 0.00 C ATOM 1168 O CYS A 79 -10.350 18.932 2.786 1.00 0.00 O ATOM 1169 CB CYS A 79 -7.384 17.789 2.583 1.00 0.00 C ATOM 1170 SG CYS A 79 -7.689 18.917 1.186 1.00 0.00 S ATOM 0 H CYS A 79 -9.339 16.555 1.451 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.382 16.809 4.216 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -6.749 18.294 3.311 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.829 16.923 2.222 1.00 0.00 H new ATOM 1175 N ILE A 80 -9.412 19.015 4.829 1.00 0.00 N ATOM 1176 CA ILE A 80 -10.207 20.155 5.268 1.00 0.00 C ATOM 1177 C ILE A 80 -9.321 21.255 5.843 1.00 0.00 C ATOM 1178 O ILE A 80 -8.371 20.981 6.576 1.00 0.00 O ATOM 1179 CB ILE A 80 -11.247 19.743 6.327 1.00 0.00 C ATOM 1180 CG1 ILE A 80 -11.928 18.434 5.921 1.00 0.00 C ATOM 1181 CG2 ILE A 80 -12.277 20.846 6.516 1.00 0.00 C ATOM 1182 CD1 ILE A 80 -11.176 17.199 6.364 1.00 0.00 C ATOM 0 H ILE A 80 -8.756 18.664 5.527 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.727 20.533 4.388 1.00 0.00 H new ATOM 0 HB ILE A 80 -10.735 19.586 7.276 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -12.932 18.410 6.345 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -12.039 18.413 4.837 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -13.005 20.539 7.267 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.778 21.757 6.845 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.788 21.033 5.571 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.717 16.309 6.042 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.181 17.200 5.919 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.088 17.197 7.450 1.00 0.00 H new ATOM 1194 N ALA A 81 -9.640 22.501 5.507 1.00 0.00 N ATOM 1195 CA ALA A 81 -8.875 23.642 5.994 1.00 0.00 C ATOM 1196 C ALA A 81 -9.767 24.614 6.760 1.00 0.00 C ATOM 1197 O ALA A 81 -10.491 25.410 6.162 1.00 0.00 O ATOM 1198 CB ALA A 81 -8.192 24.352 4.835 1.00 0.00 C ATOM 0 H ALA A 81 -10.422 22.745 4.900 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.113 23.272 6.679 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.624 25.202 5.213 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.517 23.660 4.331 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.945 24.703 4.129 1.00 0.00 H new ATOM 1204 N SER A 82 -9.710 24.542 8.086 1.00 0.00 N ATOM 1205 CA SER A 82 -10.516 25.413 8.934 1.00 0.00 C ATOM 1206 C SER A 82 -9.793 26.729 9.204 1.00 0.00 C ATOM 1207 O SER A 82 -8.610 26.743 9.546 1.00 0.00 O ATOM 1208 CB SER A 82 -10.840 24.715 10.256 1.00 0.00 C ATOM 1209 OG SER A 82 -11.306 25.641 11.221 1.00 0.00 O ATOM 0 H SER A 82 -9.114 23.890 8.596 1.00 0.00 H new ATOM 0 HA SER A 82 -11.446 25.631 8.409 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.596 23.947 10.090 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.950 24.210 10.632 1.00 0.00 H new ATOM 0 HG SER A 82 -11.507 25.170 12.056 1.00 0.00 H new ATOM 1215 N THR A 83 -10.513 27.835 9.049 1.00 0.00 N ATOM 1216 CA THR A 83 -9.942 29.157 9.275 1.00 0.00 C ATOM 1217 C THR A 83 -10.978 30.111 9.858 1.00 0.00 C ATOM 1218 O THR A 83 -12.185 29.890 9.761 1.00 0.00 O ATOM 1219 CB THR A 83 -9.384 29.758 7.971 1.00 0.00 C ATOM 1220 OG1 THR A 83 -10.133 29.278 6.849 1.00 0.00 O ATOM 1221 CG2 THR A 83 -7.915 29.402 7.796 1.00 0.00 C ATOM 0 H THR A 83 -11.493 27.842 8.768 1.00 0.00 H new ATOM 0 HA THR A 83 -9.126 29.032 9.987 1.00 0.00 H new ATOM 0 HB THR A 83 -9.475 30.843 8.030 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.090 29.403 7.017 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.543 29.837 6.868 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.343 29.795 8.636 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.805 28.318 7.758 1.00 0.00 H new ATOM 1229 N PRO A 84 -10.498 31.199 10.479 1.00 0.00 N ATOM 1230 CA PRO A 84 -11.366 32.210 11.089 1.00 0.00 C ATOM 1231 C PRO A 84 -12.132 33.021 10.049 1.00 0.00 C ATOM 1232 O PRO A 84 -12.968 33.857 10.392 1.00 0.00 O ATOM 1233 CB PRO A 84 -10.387 33.106 11.851 1.00 0.00 C ATOM 1234 CG PRO A 84 -9.090 32.943 11.136 1.00 0.00 C ATOM 1235 CD PRO A 84 -9.070 31.527 10.632 1.00 0.00 C ATOM 0 HA PRO A 84 -12.133 31.761 11.720 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.715 34.146 11.845 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.304 32.804 12.895 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.007 33.652 10.312 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.250 33.131 11.804 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.535 31.445 9.686 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.577 30.857 11.336 1.00 0.00 H new ATOM 1243 N SER A 85 -11.841 32.769 8.777 1.00 0.00 N ATOM 1244 CA SER A 85 -12.500 33.478 7.687 1.00 0.00 C ATOM 1245 C SER A 85 -13.468 32.559 6.948 1.00 0.00 C ATOM 1246 O SER A 85 -14.428 33.018 6.330 1.00 0.00 O ATOM 1247 CB SER A 85 -11.461 34.034 6.710 1.00 0.00 C ATOM 1248 OG SER A 85 -10.812 35.172 7.250 1.00 0.00 O ATOM 0 H SER A 85 -11.153 32.079 8.476 1.00 0.00 H new ATOM 0 HA SER A 85 -13.066 34.305 8.115 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.723 33.265 6.482 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.946 34.299 5.771 1.00 0.00 H new ATOM 0 HG SER A 85 -10.152 35.508 6.608 1.00 0.00 H new ATOM 1254 N GLY A 86 -13.209 31.257 7.017 1.00 0.00 N ATOM 1255 CA GLY A 86 -14.065 30.293 6.351 1.00 0.00 C ATOM 1256 C GLY A 86 -13.516 28.882 6.423 1.00 0.00 C ATOM 1257 O GLY A 86 -12.661 28.585 7.256 1.00 0.00 O ATOM 0 H GLY A 86 -12.421 30.852 7.523 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -15.056 30.317 6.805 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.185 30.580 5.306 1.00 0.00 H new ATOM 1261 N GLU A 87 -14.010 28.011 5.549 1.00 0.00 N ATOM 1262 CA GLU A 87 -13.565 26.623 5.519 1.00 0.00 C ATOM 1263 C GLU A 87 -13.810 26.002 4.147 1.00 0.00 C ATOM 1264 O GLU A 87 -14.814 26.287 3.495 1.00 0.00 O ATOM 1265 CB GLU A 87 -14.286 25.810 6.596 1.00 0.00 C ATOM 1266 CG GLU A 87 -13.680 24.436 6.829 1.00 0.00 C ATOM 1267 CD GLU A 87 -14.691 23.433 7.351 1.00 0.00 C ATOM 1268 OE1 GLU A 87 -15.376 22.797 6.523 1.00 0.00 O ATOM 1269 OE2 GLU A 87 -14.797 23.286 8.587 1.00 0.00 O ATOM 0 H GLU A 87 -14.718 28.242 4.852 1.00 0.00 H new ATOM 0 HA GLU A 87 -12.494 26.607 5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -14.270 26.368 7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.332 25.693 6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.256 24.067 5.895 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.858 24.521 7.540 1.00 0.00 H new ATOM 1276 N ALA A 88 -12.884 25.152 3.715 1.00 0.00 N ATOM 1277 CA ALA A 88 -12.999 24.489 2.422 1.00 0.00 C ATOM 1278 C ALA A 88 -12.563 23.031 2.512 1.00 0.00 C ATOM 1279 O ALA A 88 -11.938 22.617 3.489 1.00 0.00 O ATOM 1280 CB ALA A 88 -12.175 25.225 1.377 1.00 0.00 C ATOM 0 H ALA A 88 -12.046 24.906 4.242 1.00 0.00 H new ATOM 0 HA ALA A 88 -14.047 24.509 2.123 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.270 24.719 0.416 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -12.536 26.250 1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.128 25.235 1.680 1.00 0.00 H new ATOM 1286 N THR A 89 -12.897 22.253 1.486 1.00 0.00 N ATOM 1287 CA THR A 89 -12.542 20.841 1.451 1.00 0.00 C ATOM 1288 C THR A 89 -12.176 20.401 0.037 1.00 0.00 C ATOM 1289 O THR A 89 -12.549 21.049 -0.940 1.00 0.00 O ATOM 1290 CB THR A 89 -13.693 19.958 1.968 1.00 0.00 C ATOM 1291 OG1 THR A 89 -14.842 20.108 1.125 1.00 0.00 O ATOM 1292 CG2 THR A 89 -14.056 20.326 3.399 1.00 0.00 C ATOM 0 H THR A 89 -13.413 22.578 0.669 1.00 0.00 H new ATOM 0 HA THR A 89 -11.678 20.717 2.104 1.00 0.00 H new ATOM 0 HB THR A 89 -13.362 18.920 1.949 1.00 0.00 H new ATOM 0 HG1 THR A 89 -15.569 19.542 1.459 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.871 19.689 3.743 1.00 0.00 H new ATOM 0 HG22 THR A 89 -13.188 20.183 4.043 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.369 21.369 3.438 1.00 0.00 H new ATOM 1300 N TRP A 90 -11.444 19.298 -0.063 1.00 0.00 N ATOM 1301 CA TRP A 90 -11.028 18.772 -1.358 1.00 0.00 C ATOM 1302 C TRP A 90 -11.590 17.372 -1.583 1.00 0.00 C ATOM 1303 O TRP A 90 -11.930 16.670 -0.632 1.00 0.00 O ATOM 1304 CB TRP A 90 -9.502 18.743 -1.454 1.00 0.00 C ATOM 1305 CG TRP A 90 -8.999 18.428 -2.830 1.00 0.00 C ATOM 1306 CD1 TRP A 90 -8.525 17.226 -3.274 1.00 0.00 C ATOM 1307 CD2 TRP A 90 -8.918 19.328 -3.940 1.00 0.00 C ATOM 1308 NE1 TRP A 90 -8.154 17.326 -4.593 1.00 0.00 N ATOM 1309 CE2 TRP A 90 -8.386 18.605 -5.026 1.00 0.00 C ATOM 1310 CE3 TRP A 90 -9.245 20.675 -4.124 1.00 0.00 C ATOM 1311 CZ2 TRP A 90 -8.174 19.184 -6.274 1.00 0.00 C ATOM 1312 CZ3 TRP A 90 -9.033 21.248 -5.363 1.00 0.00 C ATOM 1313 CH2 TRP A 90 -8.503 20.504 -6.425 1.00 0.00 C ATOM 0 H TRP A 90 -11.126 18.750 0.737 1.00 0.00 H new ATOM 0 HA TRP A 90 -11.421 19.430 -2.133 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.107 19.710 -1.143 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -9.115 18.001 -0.755 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -8.453 16.329 -2.676 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -7.768 16.570 -5.159 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -9.656 21.257 -3.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -7.765 18.612 -7.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -9.280 22.288 -5.516 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -8.351 20.981 -7.382 1.00 0.00 H new ATOM 1324 N SER A 91 -11.684 16.973 -2.848 1.00 0.00 N ATOM 1325 CA SER A 91 -12.208 15.658 -3.198 1.00 0.00 C ATOM 1326 C SER A 91 -11.075 14.692 -3.528 1.00 0.00 C ATOM 1327 O SER A 91 -10.194 15.002 -4.329 1.00 0.00 O ATOM 1328 CB SER A 91 -13.164 15.767 -4.387 1.00 0.00 C ATOM 1329 OG SER A 91 -12.469 16.128 -5.568 1.00 0.00 O ATOM 0 H SER A 91 -11.404 17.542 -3.647 1.00 0.00 H new ATOM 0 HA SER A 91 -12.753 15.270 -2.337 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.673 14.815 -4.537 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.933 16.509 -4.173 1.00 0.00 H new ATOM 0 HG SER A 91 -11.509 15.978 -5.441 1.00 0.00 H new ATOM 1335 N ALA A 92 -11.105 13.519 -2.903 1.00 0.00 N ATOM 1336 CA ALA A 92 -10.082 12.506 -3.131 1.00 0.00 C ATOM 1337 C ALA A 92 -10.507 11.159 -2.556 1.00 0.00 C ATOM 1338 O ALA A 92 -11.155 11.095 -1.512 1.00 0.00 O ATOM 1339 CB ALA A 92 -8.758 12.947 -2.526 1.00 0.00 C ATOM 0 H ALA A 92 -11.826 13.247 -2.235 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.955 12.389 -4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.003 12.181 -2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.441 13.882 -2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.879 13.094 -1.453 1.00 0.00 H new ATOM 1345 N TYR A 93 -10.137 10.084 -3.244 1.00 0.00 N ATOM 1346 CA TYR A 93 -10.482 8.738 -2.803 1.00 0.00 C ATOM 1347 C TYR A 93 -9.360 7.755 -3.124 1.00 0.00 C ATOM 1348 O TYR A 93 -8.660 7.902 -4.126 1.00 0.00 O ATOM 1349 CB TYR A 93 -11.782 8.280 -3.466 1.00 0.00 C ATOM 1350 CG TYR A 93 -12.391 7.054 -2.822 1.00 0.00 C ATOM 1351 CD1 TYR A 93 -11.767 5.816 -2.912 1.00 0.00 C ATOM 1352 CD2 TYR A 93 -13.589 7.135 -2.124 1.00 0.00 C ATOM 1353 CE1 TYR A 93 -12.319 4.694 -2.326 1.00 0.00 C ATOM 1354 CE2 TYR A 93 -14.149 6.018 -1.534 1.00 0.00 C ATOM 1355 CZ TYR A 93 -13.510 4.800 -1.638 1.00 0.00 C ATOM 1356 OH TYR A 93 -14.063 3.685 -1.051 1.00 0.00 O ATOM 0 H TYR A 93 -9.598 10.119 -4.109 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.621 8.761 -1.722 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.505 9.095 -3.431 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.589 8.070 -4.518 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.834 5.730 -3.449 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -14.092 8.087 -2.041 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.821 3.739 -2.406 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -15.081 6.098 -0.995 1.00 0.00 H new ATOM 0 HH TYR A 93 -14.900 3.931 -0.605 1.00 0.00 H new ATOM 1366 N ILE A 94 -9.197 6.754 -2.267 1.00 0.00 N ATOM 1367 CA ILE A 94 -8.163 5.745 -2.459 1.00 0.00 C ATOM 1368 C ILE A 94 -8.765 4.346 -2.534 1.00 0.00 C ATOM 1369 O ILE A 94 -9.663 4.005 -1.765 1.00 0.00 O ATOM 1370 CB ILE A 94 -7.122 5.783 -1.324 1.00 0.00 C ATOM 1371 CG1 ILE A 94 -6.410 7.137 -1.300 1.00 0.00 C ATOM 1372 CG2 ILE A 94 -6.117 4.653 -1.489 1.00 0.00 C ATOM 1373 CD1 ILE A 94 -5.809 7.527 -2.632 1.00 0.00 C ATOM 0 H ILE A 94 -9.768 6.620 -1.432 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.669 5.976 -3.403 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.638 5.648 -0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -7.119 7.906 -0.991 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.621 7.110 -0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.388 4.693 -0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.638 3.696 -1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.604 4.759 -2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.321 8.497 -2.541 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.076 6.779 -2.933 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.597 7.586 -3.383 1.00 0.00 H new ATOM 1385 N GLU A 95 -8.264 3.541 -3.466 1.00 0.00 N ATOM 1386 CA GLU A 95 -8.754 2.179 -3.641 1.00 0.00 C ATOM 1387 C GLU A 95 -7.644 1.165 -3.378 1.00 0.00 C ATOM 1388 O GLU A 95 -6.539 1.286 -3.906 1.00 0.00 O ATOM 1389 CB GLU A 95 -9.308 1.990 -5.054 1.00 0.00 C ATOM 1390 CG GLU A 95 -9.922 0.620 -5.289 1.00 0.00 C ATOM 1391 CD GLU A 95 -11.325 0.504 -4.726 1.00 0.00 C ATOM 1392 OE1 GLU A 95 -12.131 1.432 -4.945 1.00 0.00 O ATOM 1393 OE2 GLU A 95 -11.616 -0.515 -4.065 1.00 0.00 O ATOM 0 H GLU A 95 -7.520 3.808 -4.111 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.554 2.012 -2.920 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.062 2.754 -5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.505 2.147 -5.774 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.946 0.416 -6.359 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.288 -0.141 -4.834 1.00 0.00 H new ATOM 1400 N VAL A 96 -7.947 0.164 -2.558 1.00 0.00 N ATOM 1401 CA VAL A 96 -6.977 -0.872 -2.224 1.00 0.00 C ATOM 1402 C VAL A 96 -7.285 -2.171 -2.961 1.00 0.00 C ATOM 1403 O VAL A 96 -8.336 -2.778 -2.755 1.00 0.00 O ATOM 1404 CB VAL A 96 -6.949 -1.149 -0.709 1.00 0.00 C ATOM 1405 CG1 VAL A 96 -5.923 -2.222 -0.381 1.00 0.00 C ATOM 1406 CG2 VAL A 96 -6.659 0.131 0.060 1.00 0.00 C ATOM 0 H VAL A 96 -8.857 0.048 -2.112 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.000 -0.503 -2.536 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.930 -1.514 -0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.918 -2.404 0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.180 -3.143 -0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.935 -1.889 -0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.643 -0.082 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.691 0.528 -0.246 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.435 0.866 -0.151 1.00 0.00 H new ATOM 1416 N GLN A 97 -6.362 -2.591 -3.819 1.00 0.00 N ATOM 1417 CA GLN A 97 -6.535 -3.819 -4.587 1.00 0.00 C ATOM 1418 C GLN A 97 -5.465 -4.843 -4.225 1.00 0.00 C ATOM 1419 O GLN A 97 -4.296 -4.499 -4.055 1.00 0.00 O ATOM 1420 CB GLN A 97 -6.486 -3.519 -6.086 1.00 0.00 C ATOM 1421 CG GLN A 97 -7.813 -3.047 -6.656 1.00 0.00 C ATOM 1422 CD GLN A 97 -7.675 -2.461 -8.048 1.00 0.00 C ATOM 1423 OE1 GLN A 97 -6.864 -2.923 -8.851 1.00 0.00 O ATOM 1424 NE2 GLN A 97 -8.470 -1.438 -8.341 1.00 0.00 N ATOM 0 H GLN A 97 -5.487 -2.100 -4.000 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.510 -4.238 -4.340 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -5.729 -2.757 -6.271 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.171 -4.417 -6.618 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -8.510 -3.885 -6.686 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.244 -2.298 -5.992 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -9.128 -1.087 -7.645 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.423 -1.003 -9.262 1.00 0.00 H new ATOM 1433 N GLU A 98 -5.873 -6.103 -4.110 1.00 0.00 N ATOM 1434 CA GLU A 98 -4.948 -7.177 -3.767 1.00 0.00 C ATOM 1435 C GLU A 98 -3.867 -7.325 -4.834 1.00 0.00 C ATOM 1436 O GLU A 98 -4.005 -6.819 -5.948 1.00 0.00 O ATOM 1437 CB GLU A 98 -5.702 -8.498 -3.603 1.00 0.00 C ATOM 1438 CG GLU A 98 -6.147 -8.772 -2.177 1.00 0.00 C ATOM 1439 CD GLU A 98 -7.196 -9.863 -2.092 1.00 0.00 C ATOM 1440 OE1 GLU A 98 -7.365 -10.602 -3.085 1.00 0.00 O ATOM 1441 OE2 GLU A 98 -7.849 -9.979 -1.034 1.00 0.00 O ATOM 0 H GLU A 98 -6.837 -6.405 -4.249 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.469 -6.921 -2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.577 -8.490 -4.253 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.063 -9.315 -3.939 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.282 -9.058 -1.579 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -6.546 -7.855 -1.742 1.00 0.00 H new ATOM 1448 N PHE A 99 -2.790 -8.021 -4.485 1.00 0.00 N ATOM 1449 CA PHE A 99 -1.684 -8.235 -5.411 1.00 0.00 C ATOM 1450 C PHE A 99 -1.792 -9.602 -6.080 1.00 0.00 C ATOM 1451 O PHE A 99 -0.833 -10.091 -6.676 1.00 0.00 O ATOM 1452 CB PHE A 99 -0.347 -8.118 -4.677 1.00 0.00 C ATOM 1453 CG PHE A 99 0.771 -7.616 -5.545 1.00 0.00 C ATOM 1454 CD1 PHE A 99 1.549 -8.501 -6.275 1.00 0.00 C ATOM 1455 CD2 PHE A 99 1.044 -6.261 -5.632 1.00 0.00 C ATOM 1456 CE1 PHE A 99 2.579 -8.042 -7.074 1.00 0.00 C ATOM 1457 CE2 PHE A 99 2.073 -5.796 -6.430 1.00 0.00 C ATOM 1458 CZ PHE A 99 2.841 -6.688 -7.153 1.00 0.00 C ATOM 0 H PHE A 99 -2.660 -8.447 -3.567 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.735 -7.467 -6.183 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.466 -7.446 -3.827 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.075 -9.094 -4.276 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.348 -9.561 -6.219 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.446 -5.559 -5.070 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.179 -8.742 -7.637 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.276 -4.737 -6.488 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.644 -6.328 -7.778 1.00 0.00 H new ATOM 1468 N GLY A 100 -2.968 -10.215 -5.976 1.00 0.00 N ATOM 1469 CA GLY A 100 -3.180 -11.519 -6.574 1.00 0.00 C ATOM 1470 C GLY A 100 -2.672 -12.648 -5.700 1.00 0.00 C ATOM 1471 O GLY A 100 -3.287 -13.712 -5.628 1.00 0.00 O ATOM 0 H GLY A 100 -3.777 -9.831 -5.488 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.244 -11.660 -6.762 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.678 -11.558 -7.541 1.00 0.00 H new ATOM 1475 N VAL A 101 -1.545 -12.418 -5.033 1.00 0.00 N ATOM 1476 CA VAL A 101 -0.954 -13.424 -4.160 1.00 0.00 C ATOM 1477 C VAL A 101 -2.006 -14.046 -3.248 1.00 0.00 C ATOM 1478 O VAL A 101 -2.674 -13.363 -2.473 1.00 0.00 O ATOM 1479 CB VAL A 101 0.170 -12.825 -3.293 1.00 0.00 C ATOM 1480 CG1 VAL A 101 -0.370 -11.703 -2.419 1.00 0.00 C ATOM 1481 CG2 VAL A 101 0.823 -13.906 -2.446 1.00 0.00 C ATOM 0 H VAL A 101 -1.023 -11.543 -5.081 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.534 -14.195 -4.805 1.00 0.00 H new ATOM 0 HB VAL A 101 0.930 -12.405 -3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.438 -11.292 -1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.786 -10.918 -3.050 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.150 -12.094 -1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.615 -13.465 -1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.076 -14.358 -1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.247 -14.671 -3.096 1.00 0.00 H new ATOM 1491 N PRO A 102 -2.157 -15.376 -3.342 1.00 0.00 N ATOM 1492 CA PRO A 102 -3.126 -16.121 -2.532 1.00 0.00 C ATOM 1493 C PRO A 102 -2.734 -16.171 -1.059 1.00 0.00 C ATOM 1494 O PRO A 102 -1.551 -16.229 -0.723 1.00 0.00 O ATOM 1495 CB PRO A 102 -3.093 -17.525 -3.142 1.00 0.00 C ATOM 1496 CG PRO A 102 -1.744 -17.635 -3.764 1.00 0.00 C ATOM 1497 CD PRO A 102 -1.394 -16.254 -4.244 1.00 0.00 C ATOM 0 HA PRO A 102 -4.112 -15.657 -2.548 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -3.242 -18.291 -2.381 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -3.882 -17.654 -3.883 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -1.010 -17.995 -3.043 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -1.753 -18.345 -4.591 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.323 -16.065 -4.177 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.680 -16.106 -5.285 1.00 0.00 H new ATOM 1505 N VAL A 103 -3.734 -16.147 -0.184 1.00 0.00 N ATOM 1506 CA VAL A 103 -3.494 -16.191 1.253 1.00 0.00 C ATOM 1507 C VAL A 103 -3.066 -17.586 1.696 1.00 0.00 C ATOM 1508 O VAL A 103 -3.901 -18.419 2.049 1.00 0.00 O ATOM 1509 CB VAL A 103 -4.747 -15.775 2.045 1.00 0.00 C ATOM 1510 CG1 VAL A 103 -4.474 -15.819 3.541 1.00 0.00 C ATOM 1511 CG2 VAL A 103 -5.210 -14.389 1.620 1.00 0.00 C ATOM 0 H VAL A 103 -4.719 -16.097 -0.446 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.691 -15.484 1.461 1.00 0.00 H new ATOM 0 HB VAL A 103 -5.545 -16.484 1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -5.371 -15.522 4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -4.194 -16.832 3.830 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.661 -15.135 3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.097 -14.111 2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -4.416 -13.666 1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.449 -14.396 0.557 1.00 0.00 H new ATOM 1521 N GLN A 104 -1.760 -17.833 1.676 1.00 0.00 N ATOM 1522 CA GLN A 104 -1.222 -19.128 2.076 1.00 0.00 C ATOM 1523 C GLN A 104 -0.237 -18.975 3.231 1.00 0.00 C ATOM 1524 O GLN A 104 0.524 -18.010 3.306 1.00 0.00 O ATOM 1525 CB GLN A 104 -0.534 -19.806 0.890 1.00 0.00 C ATOM 1526 CG GLN A 104 0.640 -19.017 0.335 1.00 0.00 C ATOM 1527 CD GLN A 104 1.888 -19.151 1.186 1.00 0.00 C ATOM 1528 OE1 GLN A 104 2.277 -20.255 1.567 1.00 0.00 O ATOM 1529 NE2 GLN A 104 2.522 -18.025 1.489 1.00 0.00 N ATOM 0 H GLN A 104 -1.056 -17.154 1.387 1.00 0.00 H new ATOM 0 HA GLN A 104 -2.052 -19.751 2.410 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -0.185 -20.792 1.198 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -1.265 -19.960 0.096 1.00 0.00 H new ATOM 0 HG2 GLN A 104 0.857 -19.359 -0.677 1.00 0.00 H new ATOM 0 HG3 GLN A 104 0.365 -17.965 0.264 1.00 0.00 H new ATOM 0 HE21 GLN A 104 2.164 -17.131 1.152 1.00 0.00 H new ATOM 0 HE22 GLN A 104 3.367 -18.053 2.059 1.00 0.00 H new ATOM 1538 N PRO A 105 -0.250 -19.948 4.153 1.00 0.00 N ATOM 1539 CA PRO A 105 0.637 -19.944 5.321 1.00 0.00 C ATOM 1540 C PRO A 105 2.094 -20.187 4.943 1.00 0.00 C ATOM 1541 O PRO A 105 2.406 -20.978 4.052 1.00 0.00 O ATOM 1542 CB PRO A 105 0.105 -21.099 6.173 1.00 0.00 C ATOM 1543 CG PRO A 105 -0.561 -22.012 5.202 1.00 0.00 C ATOM 1544 CD PRO A 105 -1.131 -21.128 4.127 1.00 0.00 C ATOM 0 HA PRO A 105 0.634 -18.982 5.833 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.913 -21.605 6.702 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -0.597 -20.744 6.927 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.151 -22.724 4.785 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.346 -22.592 5.687 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.117 -21.619 3.154 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -2.167 -20.861 4.334 1.00 0.00 H new ATOM 1552 N PRO A 106 3.009 -19.492 5.635 1.00 0.00 N ATOM 1553 CA PRO A 106 4.449 -19.617 5.390 1.00 0.00 C ATOM 1554 C PRO A 106 4.997 -20.969 5.833 1.00 0.00 C ATOM 1555 O PRO A 106 4.322 -21.724 6.532 1.00 0.00 O ATOM 1556 CB PRO A 106 5.051 -18.492 6.236 1.00 0.00 C ATOM 1557 CG PRO A 106 4.056 -18.258 7.319 1.00 0.00 C ATOM 1558 CD PRO A 106 2.709 -18.532 6.710 1.00 0.00 C ATOM 0 HA PRO A 106 4.690 -19.547 4.329 1.00 0.00 H new ATOM 0 HB2 PRO A 106 6.020 -18.779 6.644 1.00 0.00 H new ATOM 0 HB3 PRO A 106 5.209 -17.592 5.642 1.00 0.00 H new ATOM 0 HG2 PRO A 106 4.241 -18.916 8.168 1.00 0.00 H new ATOM 0 HG3 PRO A 106 4.116 -17.235 7.690 1.00 0.00 H new ATOM 0 HD2 PRO A 106 2.016 -18.950 7.440 1.00 0.00 H new ATOM 0 HD3 PRO A 106 2.252 -17.622 6.320 1.00 0.00 H new ATOM 1566 N ARG A 107 6.226 -21.267 5.422 1.00 0.00 N ATOM 1567 CA ARG A 107 6.864 -22.529 5.776 1.00 0.00 C ATOM 1568 C ARG A 107 6.749 -22.795 7.274 1.00 0.00 C ATOM 1569 O ARG A 107 6.788 -21.880 8.097 1.00 0.00 O ATOM 1570 CB ARG A 107 8.337 -22.514 5.362 1.00 0.00 C ATOM 1571 CG ARG A 107 9.243 -21.811 6.360 1.00 0.00 C ATOM 1572 CD ARG A 107 10.711 -22.074 6.061 1.00 0.00 C ATOM 1573 NE ARG A 107 11.237 -21.156 5.055 1.00 0.00 N ATOM 1574 CZ ARG A 107 11.441 -19.862 5.276 1.00 0.00 C ATOM 1575 NH1 ARG A 107 11.164 -19.336 6.462 1.00 0.00 N ATOM 1576 NH2 ARG A 107 11.923 -19.090 4.310 1.00 0.00 N ATOM 0 H ARG A 107 6.799 -20.652 4.844 1.00 0.00 H new ATOM 0 HA ARG A 107 6.351 -23.329 5.242 1.00 0.00 H new ATOM 0 HB2 ARG A 107 8.680 -23.541 5.233 1.00 0.00 H new ATOM 0 HB3 ARG A 107 8.428 -22.023 4.393 1.00 0.00 H new ATOM 0 HG2 ARG A 107 9.052 -20.738 6.334 1.00 0.00 H new ATOM 0 HG3 ARG A 107 9.009 -22.152 7.369 1.00 0.00 H new ATOM 0 HD2 ARG A 107 11.291 -21.977 6.979 1.00 0.00 H new ATOM 0 HD3 ARG A 107 10.832 -23.100 5.714 1.00 0.00 H new ATOM 0 HE ARG A 107 11.460 -21.529 4.132 1.00 0.00 H new ATOM 0 HH11 ARG A 107 10.793 -19.925 7.207 1.00 0.00 H new ATOM 0 HH12 ARG A 107 11.322 -18.342 6.629 1.00 0.00 H new ATOM 0 HH21 ARG A 107 12.137 -19.490 3.397 1.00 0.00 H new ATOM 0 HH22 ARG A 107 12.079 -18.097 4.481 1.00 0.00 H new ATOM 1590 N PRO A 108 6.602 -24.078 7.638 1.00 0.00 N ATOM 1591 CA PRO A 108 6.478 -24.494 9.038 1.00 0.00 C ATOM 1592 C PRO A 108 7.780 -24.321 9.812 1.00 0.00 C ATOM 1593 O PRO A 108 8.814 -23.974 9.240 1.00 0.00 O ATOM 1594 CB PRO A 108 6.110 -25.976 8.936 1.00 0.00 C ATOM 1595 CG PRO A 108 6.656 -26.413 7.621 1.00 0.00 C ATOM 1596 CD PRO A 108 6.548 -25.220 6.711 1.00 0.00 C ATOM 0 HA PRO A 108 5.745 -23.894 9.578 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.545 -26.549 9.755 1.00 0.00 H new ATOM 0 HB3 PRO A 108 5.031 -26.120 8.984 1.00 0.00 H new ATOM 0 HG2 PRO A 108 7.692 -26.738 7.717 1.00 0.00 H new ATOM 0 HG3 PRO A 108 6.092 -27.258 7.226 1.00 0.00 H new ATOM 0 HD2 PRO A 108 7.364 -25.190 5.989 1.00 0.00 H new ATOM 0 HD3 PRO A 108 5.619 -25.232 6.142 1.00 0.00 H new ATOM 1604 N THR A 109 7.724 -24.565 11.118 1.00 0.00 N ATOM 1605 CA THR A 109 8.899 -24.435 11.971 1.00 0.00 C ATOM 1606 C THR A 109 9.212 -25.748 12.679 1.00 0.00 C ATOM 1607 O THR A 109 8.326 -26.380 13.256 1.00 0.00 O ATOM 1608 CB THR A 109 8.708 -23.329 13.025 1.00 0.00 C ATOM 1609 OG1 THR A 109 9.945 -23.078 13.702 1.00 0.00 O ATOM 1610 CG2 THR A 109 7.642 -23.723 14.036 1.00 0.00 C ATOM 0 H THR A 109 6.877 -24.854 11.608 1.00 0.00 H new ATOM 0 HA THR A 109 9.733 -24.168 11.322 1.00 0.00 H new ATOM 0 HB THR A 109 8.384 -22.423 12.513 1.00 0.00 H new ATOM 0 HG1 THR A 109 9.815 -22.372 14.369 1.00 0.00 H new ATOM 0 HG21 THR A 109 7.525 -22.926 14.770 1.00 0.00 H new ATOM 0 HG22 THR A 109 6.695 -23.885 13.522 1.00 0.00 H new ATOM 0 HG23 THR A 109 7.942 -24.641 14.541 1.00 0.00 H new ATOM 1618 N ASP A 110 10.476 -26.154 12.633 1.00 0.00 N ATOM 1619 CA ASP A 110 10.906 -27.392 13.273 1.00 0.00 C ATOM 1620 C ASP A 110 11.993 -27.120 14.307 1.00 0.00 C ATOM 1621 O ASP A 110 13.147 -27.519 14.151 1.00 0.00 O ATOM 1622 CB ASP A 110 11.418 -28.381 12.225 1.00 0.00 C ATOM 1623 CG ASP A 110 12.105 -27.690 11.063 1.00 0.00 C ATOM 1624 OD1 ASP A 110 12.976 -26.832 11.316 1.00 0.00 O ATOM 1625 OD2 ASP A 110 11.772 -28.007 9.902 1.00 0.00 O ATOM 0 H ASP A 110 11.221 -25.644 12.159 1.00 0.00 H new ATOM 0 HA ASP A 110 10.046 -27.827 13.782 1.00 0.00 H new ATOM 0 HB2 ASP A 110 12.115 -29.075 12.695 1.00 0.00 H new ATOM 0 HB3 ASP A 110 10.583 -28.973 11.850 1.00 0.00 H new ATOM 1630 N PRO A 111 11.619 -26.422 15.390 1.00 0.00 N ATOM 1631 CA PRO A 111 12.547 -26.081 16.472 1.00 0.00 C ATOM 1632 C PRO A 111 12.968 -27.302 17.283 1.00 0.00 C ATOM 1633 O PRO A 111 13.929 -27.249 18.048 1.00 0.00 O ATOM 1634 CB PRO A 111 11.739 -25.114 17.341 1.00 0.00 C ATOM 1635 CG PRO A 111 10.316 -25.467 17.077 1.00 0.00 C ATOM 1636 CD PRO A 111 10.260 -25.915 15.643 1.00 0.00 C ATOM 0 HA PRO A 111 13.477 -25.659 16.092 1.00 0.00 H new ATOM 0 HB2 PRO A 111 11.986 -25.229 18.396 1.00 0.00 H new ATOM 0 HB3 PRO A 111 11.945 -24.077 17.076 1.00 0.00 H new ATOM 0 HG2 PRO A 111 9.980 -26.259 17.747 1.00 0.00 H new ATOM 0 HG3 PRO A 111 9.664 -24.610 17.244 1.00 0.00 H new ATOM 0 HD2 PRO A 111 9.508 -26.690 15.493 1.00 0.00 H new ATOM 0 HD3 PRO A 111 10.007 -25.092 14.975 1.00 0.00 H new ATOM 1644 N ASN A 112 12.240 -28.401 17.109 1.00 0.00 N ATOM 1645 CA ASN A 112 12.538 -29.636 17.825 1.00 0.00 C ATOM 1646 C ASN A 112 12.993 -30.727 16.861 1.00 0.00 C ATOM 1647 O ASN A 112 12.695 -31.906 17.056 1.00 0.00 O ATOM 1648 CB ASN A 112 11.309 -30.108 18.604 1.00 0.00 C ATOM 1649 CG ASN A 112 11.035 -29.251 19.825 1.00 0.00 C ATOM 1650 OD1 ASN A 112 10.796 -28.049 19.713 1.00 0.00 O ATOM 1651 ND2 ASN A 112 11.068 -29.869 21.000 1.00 0.00 N ATOM 0 H ASN A 112 11.440 -28.461 16.479 1.00 0.00 H new ATOM 0 HA ASN A 112 13.348 -29.434 18.526 1.00 0.00 H new ATOM 0 HB2 ASN A 112 10.438 -30.091 17.949 1.00 0.00 H new ATOM 0 HB3 ASN A 112 11.454 -31.143 18.915 1.00 0.00 H new ATOM 0 HD21 ASN A 112 10.891 -29.345 21.857 1.00 0.00 H new ATOM 0 HD22 ASN A 112 11.270 -30.868 21.045 1.00 0.00 H new ATOM 1658 N LEU A 113 13.717 -30.327 15.822 1.00 0.00 N ATOM 1659 CA LEU A 113 14.215 -31.270 14.827 1.00 0.00 C ATOM 1660 C LEU A 113 15.732 -31.406 14.916 1.00 0.00 C ATOM 1661 O LEU A 113 16.450 -30.409 14.998 1.00 0.00 O ATOM 1662 CB LEU A 113 13.813 -30.819 13.422 1.00 0.00 C ATOM 1663 CG LEU A 113 14.654 -31.376 12.272 1.00 0.00 C ATOM 1664 CD1 LEU A 113 14.253 -32.810 11.963 1.00 0.00 C ATOM 1665 CD2 LEU A 113 14.511 -30.501 11.035 1.00 0.00 C ATOM 0 H LEU A 113 13.973 -29.355 15.646 1.00 0.00 H new ATOM 0 HA LEU A 113 13.769 -32.244 15.031 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.773 -31.101 13.255 1.00 0.00 H new ATOM 0 HB3 LEU A 113 13.858 -29.731 13.385 1.00 0.00 H new ATOM 0 HG LEU A 113 15.701 -31.371 12.577 1.00 0.00 H new ATOM 0 HD11 LEU A 113 14.862 -33.189 11.142 1.00 0.00 H new ATOM 0 HD12 LEU A 113 14.408 -33.430 12.846 1.00 0.00 H new ATOM 0 HD13 LEU A 113 13.201 -32.840 11.678 1.00 0.00 H new ATOM 0 HD21 LEU A 113 15.116 -30.912 10.227 1.00 0.00 H new ATOM 0 HD22 LEU A 113 13.466 -30.473 10.728 1.00 0.00 H new ATOM 0 HD23 LEU A 113 14.849 -29.490 11.263 1.00 0.00 H new ATOM 1677 N ILE A 114 16.212 -32.645 14.897 1.00 0.00 N ATOM 1678 CA ILE A 114 17.643 -32.910 14.972 1.00 0.00 C ATOM 1679 C ILE A 114 18.389 -32.228 13.830 1.00 0.00 C ATOM 1680 O ILE A 114 17.953 -32.234 12.679 1.00 0.00 O ATOM 1681 CB ILE A 114 17.939 -34.421 14.933 1.00 0.00 C ATOM 1682 CG1 ILE A 114 17.166 -35.085 13.791 1.00 0.00 C ATOM 1683 CG2 ILE A 114 17.583 -35.065 16.265 1.00 0.00 C ATOM 1684 CD1 ILE A 114 17.502 -36.547 13.604 1.00 0.00 C ATOM 0 H ILE A 114 15.631 -33.481 14.830 1.00 0.00 H new ATOM 0 HA ILE A 114 17.989 -32.505 15.923 1.00 0.00 H new ATOM 0 HB ILE A 114 19.005 -34.563 14.756 1.00 0.00 H new ATOM 0 HG12 ILE A 114 16.097 -34.988 13.982 1.00 0.00 H new ATOM 0 HG13 ILE A 114 17.374 -34.551 12.864 1.00 0.00 H new ATOM 0 HG21 ILE A 114 17.798 -36.133 16.222 1.00 0.00 H new ATOM 0 HG22 ILE A 114 18.173 -34.608 17.059 1.00 0.00 H new ATOM 0 HG23 ILE A 114 16.523 -34.916 16.469 1.00 0.00 H new ATOM 0 HD11 ILE A 114 16.917 -36.952 12.778 1.00 0.00 H new ATOM 0 HD12 ILE A 114 18.564 -36.651 13.382 1.00 0.00 H new ATOM 0 HD13 ILE A 114 17.267 -37.094 14.517 1.00 0.00 H new ATOM 1696 N PRO A 115 19.543 -31.626 14.154 1.00 0.00 N ATOM 1697 CA PRO A 115 20.376 -30.930 13.169 1.00 0.00 C ATOM 1698 C PRO A 115 21.039 -31.891 12.188 1.00 0.00 C ATOM 1699 O PRO A 115 21.710 -31.467 11.246 1.00 0.00 O ATOM 1700 CB PRO A 115 21.432 -30.230 14.028 1.00 0.00 C ATOM 1701 CG PRO A 115 21.511 -31.048 15.271 1.00 0.00 C ATOM 1702 CD PRO A 115 20.124 -31.579 15.506 1.00 0.00 C ATOM 0 HA PRO A 115 19.792 -30.250 12.549 1.00 0.00 H new ATOM 0 HB2 PRO A 115 22.395 -30.190 13.518 1.00 0.00 H new ATOM 0 HB3 PRO A 115 21.145 -29.202 14.248 1.00 0.00 H new ATOM 0 HG2 PRO A 115 22.227 -31.862 15.157 1.00 0.00 H new ATOM 0 HG3 PRO A 115 21.846 -30.445 16.115 1.00 0.00 H new ATOM 0 HD2 PRO A 115 20.145 -32.566 15.969 1.00 0.00 H new ATOM 0 HD3 PRO A 115 19.551 -30.928 16.167 1.00 0.00 H new ATOM 1710 N SER A 116 20.847 -33.187 12.414 1.00 0.00 N ATOM 1711 CA SER A 116 21.429 -34.208 11.552 1.00 0.00 C ATOM 1712 C SER A 116 20.961 -35.600 11.965 1.00 0.00 C ATOM 1713 O SER A 116 20.189 -35.751 12.912 1.00 0.00 O ATOM 1714 CB SER A 116 22.957 -34.136 11.600 1.00 0.00 C ATOM 1715 OG SER A 116 23.453 -33.195 10.664 1.00 0.00 O ATOM 0 H SER A 116 20.293 -33.554 13.187 1.00 0.00 H new ATOM 0 HA SER A 116 21.095 -34.020 10.532 1.00 0.00 H new ATOM 0 HB2 SER A 116 23.280 -33.860 12.604 1.00 0.00 H new ATOM 0 HB3 SER A 116 23.377 -35.119 11.389 1.00 0.00 H new ATOM 0 HG SER A 116 22.828 -32.444 10.593 1.00 0.00 H new ATOM 1721 N ALA A 117 21.434 -36.614 11.248 1.00 0.00 N ATOM 1722 CA ALA A 117 21.065 -37.994 11.540 1.00 0.00 C ATOM 1723 C ALA A 117 22.301 -38.880 11.649 1.00 0.00 C ATOM 1724 O ALA A 117 23.240 -38.778 10.859 1.00 0.00 O ATOM 1725 CB ALA A 117 20.124 -38.527 10.471 1.00 0.00 C ATOM 0 H ALA A 117 22.073 -36.506 10.461 1.00 0.00 H new ATOM 0 HA ALA A 117 20.551 -38.011 12.501 1.00 0.00 H new ATOM 0 HB1 ALA A 117 19.857 -39.558 10.702 1.00 0.00 H new ATOM 0 HB2 ALA A 117 19.222 -37.916 10.443 1.00 0.00 H new ATOM 0 HB3 ALA A 117 20.618 -38.489 9.500 1.00 0.00 H new ATOM 1731 N PRO A 118 22.305 -39.771 12.651 1.00 0.00 N ATOM 1732 CA PRO A 118 23.420 -40.693 12.887 1.00 0.00 C ATOM 1733 C PRO A 118 23.527 -41.762 11.805 1.00 0.00 C ATOM 1734 O PRO A 118 23.284 -41.495 10.629 1.00 0.00 O ATOM 1735 CB PRO A 118 23.075 -41.330 14.236 1.00 0.00 C ATOM 1736 CG PRO A 118 21.593 -41.223 14.337 1.00 0.00 C ATOM 1737 CD PRO A 118 21.220 -39.948 13.631 1.00 0.00 C ATOM 0 HA PRO A 118 24.382 -40.180 12.876 1.00 0.00 H new ATOM 0 HB2 PRO A 118 23.401 -42.369 14.278 1.00 0.00 H new ATOM 0 HB3 PRO A 118 23.567 -40.809 15.057 1.00 0.00 H new ATOM 0 HG2 PRO A 118 21.107 -42.082 13.874 1.00 0.00 H new ATOM 0 HG3 PRO A 118 21.274 -41.200 15.379 1.00 0.00 H new ATOM 0 HD2 PRO A 118 20.248 -40.028 13.144 1.00 0.00 H new ATOM 0 HD3 PRO A 118 21.162 -39.108 14.323 1.00 0.00 H new TER 1745 PRO A 118