USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 555 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 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 160:sc= -0.0315 (180deg=-0.614) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0415 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.716 K(o=-0.72,f=-3.5!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0429 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0.0965 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 157:sc= -1.85 (180deg=-2.94!) USER MOD Single : A 111 THR OG1 : rot 89:sc= 1.09 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 ASN :FLIP amide:sc= 0.529 F(o=-0.13,f=0.53) USER MOD Single : A 139 TYR OH : rot 80:sc=-0.000375 USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 GLN : amide:sc= -0.0346 X(o=-0.035,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 80 176.885 15.059 -10.093 1.00 0.00 N ATOM 2 CA LYS A 80 176.935 15.846 -8.828 1.00 0.00 C ATOM 3 C LYS A 80 175.785 15.441 -7.902 1.00 0.00 C ATOM 4 O LYS A 80 174.768 16.102 -7.819 1.00 0.00 O ATOM 5 CB LYS A 80 176.785 17.305 -9.263 1.00 0.00 C ATOM 6 CG LYS A 80 178.066 17.764 -9.963 1.00 0.00 C ATOM 7 CD LYS A 80 177.915 19.223 -10.397 1.00 0.00 C ATOM 8 CE LYS A 80 179.209 19.692 -11.068 1.00 0.00 C ATOM 9 NZ LYS A 80 179.048 21.165 -11.229 1.00 0.00 N ATOM 0 HA LYS A 80 177.859 15.677 -8.275 1.00 0.00 H new ATOM 0 HB2 LYS A 80 175.933 17.409 -9.935 1.00 0.00 H new ATOM 0 HB3 LYS A 80 176.586 17.935 -8.396 1.00 0.00 H new ATOM 0 HG2 LYS A 80 178.918 17.660 -9.291 1.00 0.00 H new ATOM 0 HG3 LYS A 80 178.265 17.134 -10.830 1.00 0.00 H new ATOM 0 HD2 LYS A 80 177.078 19.323 -11.087 1.00 0.00 H new ATOM 0 HD3 LYS A 80 177.693 19.850 -9.533 1.00 0.00 H new ATOM 0 HE2 LYS A 80 180.079 19.455 -10.456 1.00 0.00 H new ATOM 0 HE3 LYS A 80 179.354 19.203 -12.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 179.897 21.559 -11.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 178.216 21.361 -11.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 178.919 21.604 -10.295 1.00 0.00 H new ATOM 23 N ALA A 81 175.961 14.350 -7.206 1.00 0.00 N ATOM 24 CA ALA A 81 174.915 13.854 -6.265 1.00 0.00 C ATOM 25 C ALA A 81 175.395 14.009 -4.821 1.00 0.00 C ATOM 26 O ALA A 81 176.584 14.071 -4.563 1.00 0.00 O ATOM 27 CB ALA A 81 174.763 12.373 -6.610 1.00 0.00 C ATOM 0 H ALA A 81 176.800 13.772 -7.251 1.00 0.00 H new ATOM 0 HA ALA A 81 173.977 14.402 -6.355 1.00 0.00 H new ATOM 0 HB1 ALA A 81 174.009 11.924 -5.963 1.00 0.00 H new ATOM 0 HB2 ALA A 81 174.455 12.272 -7.651 1.00 0.00 H new ATOM 0 HB3 ALA A 81 175.716 11.865 -6.463 1.00 0.00 H new ATOM 33 N LYS A 82 174.488 14.089 -3.878 1.00 0.00 N ATOM 34 CA LYS A 82 174.904 14.259 -2.456 1.00 0.00 C ATOM 35 C LYS A 82 174.646 12.989 -1.646 1.00 0.00 C ATOM 36 O LYS A 82 173.883 12.125 -2.031 1.00 0.00 O ATOM 37 CB LYS A 82 174.051 15.414 -1.930 1.00 0.00 C ATOM 38 CG LYS A 82 174.517 16.723 -2.572 1.00 0.00 C ATOM 39 CD LYS A 82 173.695 17.887 -2.016 1.00 0.00 C ATOM 40 CE LYS A 82 174.271 19.210 -2.527 1.00 0.00 C ATOM 41 NZ LYS A 82 173.990 19.212 -3.991 1.00 0.00 N ATOM 0 H LYS A 82 173.481 14.044 -4.033 1.00 0.00 H new ATOM 0 HA LYS A 82 175.972 14.460 -2.372 1.00 0.00 H new ATOM 0 HB2 LYS A 82 173.000 15.238 -2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 82 174.135 15.478 -0.845 1.00 0.00 H new ATOM 0 HG2 LYS A 82 175.576 16.883 -2.369 1.00 0.00 H new ATOM 0 HG3 LYS A 82 174.404 16.669 -3.655 1.00 0.00 H new ATOM 0 HD2 LYS A 82 172.653 17.789 -2.322 1.00 0.00 H new ATOM 0 HD3 LYS A 82 173.710 17.869 -0.926 1.00 0.00 H new ATOM 0 HE2 LYS A 82 173.802 20.061 -2.034 1.00 0.00 H new ATOM 0 HE3 LYS A 82 175.341 19.277 -2.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 174.035 20.186 -4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 174.697 18.628 -4.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 173.041 18.823 -4.163 1.00 0.00 H new ATOM 55 N THR A 83 175.300 12.886 -0.514 1.00 0.00 N ATOM 56 CA THR A 83 175.133 11.682 0.363 1.00 0.00 C ATOM 57 C THR A 83 173.639 11.424 0.608 1.00 0.00 C ATOM 58 O THR A 83 173.206 10.303 0.783 1.00 0.00 O ATOM 59 CB THR A 83 175.850 12.036 1.670 1.00 0.00 C ATOM 60 OG1 THR A 83 177.143 12.544 1.374 1.00 0.00 O ATOM 61 CG2 THR A 83 175.980 10.789 2.550 1.00 0.00 C ATOM 0 H THR A 83 175.947 13.589 -0.157 1.00 0.00 H new ATOM 0 HA THR A 83 175.544 10.777 -0.084 1.00 0.00 H new ATOM 0 HB THR A 83 175.272 12.790 2.204 1.00 0.00 H new ATOM 0 HG1 THR A 83 177.603 12.773 2.208 1.00 0.00 H new ATOM 0 HG21 THR A 83 176.491 11.049 3.477 1.00 0.00 H new ATOM 0 HG22 THR A 83 174.988 10.400 2.779 1.00 0.00 H new ATOM 0 HG23 THR A 83 176.554 10.028 2.021 1.00 0.00 H new ATOM 69 N GLU A 84 172.855 12.473 0.610 1.00 0.00 N ATOM 70 CA GLU A 84 171.377 12.341 0.830 1.00 0.00 C ATOM 71 C GLU A 84 170.774 11.268 -0.088 1.00 0.00 C ATOM 72 O GLU A 84 169.889 10.531 0.303 1.00 0.00 O ATOM 73 CB GLU A 84 170.813 13.714 0.464 1.00 0.00 C ATOM 74 CG GLU A 84 171.234 14.740 1.521 1.00 0.00 C ATOM 75 CD GLU A 84 170.676 16.125 1.167 1.00 0.00 C ATOM 76 OE1 GLU A 84 170.342 16.339 0.011 1.00 0.00 O ATOM 77 OE2 GLU A 84 170.595 16.952 2.060 1.00 0.00 O ATOM 0 H GLU A 84 173.179 13.430 0.467 1.00 0.00 H new ATOM 0 HA GLU A 84 171.145 12.043 1.852 1.00 0.00 H new ATOM 0 HB2 GLU A 84 171.176 14.018 -0.518 1.00 0.00 H new ATOM 0 HB3 GLU A 84 169.726 13.667 0.401 1.00 0.00 H new ATOM 0 HG2 GLU A 84 170.870 14.433 2.502 1.00 0.00 H new ATOM 0 HG3 GLU A 84 172.321 14.783 1.584 1.00 0.00 H new ATOM 84 N ASP A 85 171.253 11.179 -1.302 1.00 0.00 N ATOM 85 CA ASP A 85 170.716 10.154 -2.254 1.00 0.00 C ATOM 86 C ASP A 85 170.907 8.750 -1.673 1.00 0.00 C ATOM 87 O ASP A 85 169.982 7.960 -1.622 1.00 0.00 O ATOM 88 CB ASP A 85 171.543 10.321 -3.533 1.00 0.00 C ATOM 89 CG ASP A 85 170.754 9.784 -4.731 1.00 0.00 C ATOM 90 OD1 ASP A 85 169.986 8.854 -4.544 1.00 0.00 O ATOM 91 OD2 ASP A 85 170.932 10.313 -5.815 1.00 0.00 O ATOM 0 H ASP A 85 171.993 11.771 -1.678 1.00 0.00 H new ATOM 0 HA ASP A 85 169.650 10.283 -2.442 1.00 0.00 H new ATOM 0 HB2 ASP A 85 171.785 11.373 -3.686 1.00 0.00 H new ATOM 0 HB3 ASP A 85 172.488 9.787 -3.439 1.00 0.00 H new ATOM 96 N PHE A 86 172.099 8.438 -1.237 1.00 0.00 N ATOM 97 CA PHE A 86 172.359 7.086 -0.657 1.00 0.00 C ATOM 98 C PHE A 86 171.791 6.981 0.763 1.00 0.00 C ATOM 99 O PHE A 86 171.287 5.946 1.158 1.00 0.00 O ATOM 100 CB PHE A 86 173.883 6.942 -0.635 1.00 0.00 C ATOM 101 CG PHE A 86 174.378 6.508 -1.998 1.00 0.00 C ATOM 102 CD1 PHE A 86 173.812 5.391 -2.631 1.00 0.00 C ATOM 103 CD2 PHE A 86 175.407 7.220 -2.627 1.00 0.00 C ATOM 104 CE1 PHE A 86 174.274 4.991 -3.890 1.00 0.00 C ATOM 105 CE2 PHE A 86 175.870 6.818 -3.885 1.00 0.00 C ATOM 106 CZ PHE A 86 175.304 5.704 -4.517 1.00 0.00 C ATOM 0 H PHE A 86 172.906 9.062 -1.257 1.00 0.00 H new ATOM 0 HA PHE A 86 171.882 6.300 -1.242 1.00 0.00 H new ATOM 0 HB2 PHE A 86 174.343 7.890 -0.356 1.00 0.00 H new ATOM 0 HB3 PHE A 86 174.177 6.211 0.118 1.00 0.00 H new ATOM 0 HD1 PHE A 86 173.020 4.840 -2.147 1.00 0.00 H new ATOM 0 HD2 PHE A 86 175.844 8.080 -2.141 1.00 0.00 H new ATOM 0 HE1 PHE A 86 173.836 4.133 -4.378 1.00 0.00 H new ATOM 0 HE2 PHE A 86 176.664 7.367 -4.369 1.00 0.00 H new ATOM 0 HZ PHE A 86 175.662 5.394 -5.488 1.00 0.00 H new ATOM 116 N VAL A 87 171.890 8.030 1.545 1.00 0.00 N ATOM 117 CA VAL A 87 171.379 7.972 2.955 1.00 0.00 C ATOM 118 C VAL A 87 169.888 7.599 2.972 1.00 0.00 C ATOM 119 O VAL A 87 169.485 6.651 3.618 1.00 0.00 O ATOM 120 CB VAL A 87 171.586 9.389 3.511 1.00 0.00 C ATOM 121 CG1 VAL A 87 171.090 9.462 4.961 1.00 0.00 C ATOM 122 CG2 VAL A 87 173.080 9.742 3.465 1.00 0.00 C ATOM 0 H VAL A 87 172.301 8.922 1.270 1.00 0.00 H new ATOM 0 HA VAL A 87 171.898 7.219 3.549 1.00 0.00 H new ATOM 0 HB VAL A 87 171.021 10.097 2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 87 171.241 10.470 5.347 1.00 0.00 H new ATOM 0 HG12 VAL A 87 170.029 9.215 4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 87 171.647 8.752 5.572 1.00 0.00 H new ATOM 0 HG21 VAL A 87 173.229 10.747 3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 87 173.641 9.029 4.069 1.00 0.00 H new ATOM 0 HG23 VAL A 87 173.432 9.701 2.434 1.00 0.00 H new ATOM 132 N LYS A 88 169.074 8.349 2.272 1.00 0.00 N ATOM 133 CA LYS A 88 167.605 8.060 2.249 1.00 0.00 C ATOM 134 C LYS A 88 167.342 6.657 1.697 1.00 0.00 C ATOM 135 O LYS A 88 166.404 5.989 2.089 1.00 0.00 O ATOM 136 CB LYS A 88 166.999 9.119 1.326 1.00 0.00 C ATOM 137 CG LYS A 88 165.474 8.999 1.342 1.00 0.00 C ATOM 138 CD LYS A 88 164.863 10.146 0.535 1.00 0.00 C ATOM 139 CE LYS A 88 164.940 11.440 1.347 1.00 0.00 C ATOM 140 NZ LYS A 88 163.611 11.559 2.009 1.00 0.00 N ATOM 0 H LYS A 88 169.364 9.152 1.713 1.00 0.00 H new ATOM 0 HA LYS A 88 167.170 8.093 3.248 1.00 0.00 H new ATOM 0 HB2 LYS A 88 167.299 10.115 1.652 1.00 0.00 H new ATOM 0 HB3 LYS A 88 167.374 8.989 0.311 1.00 0.00 H new ATOM 0 HG2 LYS A 88 165.170 8.041 0.920 1.00 0.00 H new ATOM 0 HG3 LYS A 88 165.107 9.026 2.368 1.00 0.00 H new ATOM 0 HD2 LYS A 88 165.395 10.264 -0.409 1.00 0.00 H new ATOM 0 HD3 LYS A 88 163.825 9.920 0.290 1.00 0.00 H new ATOM 0 HE2 LYS A 88 165.744 11.398 2.081 1.00 0.00 H new ATOM 0 HE3 LYS A 88 165.139 12.298 0.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 163.587 12.424 2.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 162.865 11.604 1.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 163.452 10.732 2.619 1.00 0.00 H new ATOM 154 N ALA A 89 168.159 6.219 0.777 1.00 0.00 N ATOM 155 CA ALA A 89 167.967 4.865 0.170 1.00 0.00 C ATOM 156 C ALA A 89 168.074 3.759 1.224 1.00 0.00 C ATOM 157 O ALA A 89 167.208 2.909 1.316 1.00 0.00 O ATOM 158 CB ALA A 89 169.090 4.727 -0.860 1.00 0.00 C ATOM 0 H ALA A 89 168.957 6.742 0.416 1.00 0.00 H new ATOM 0 HA ALA A 89 166.978 4.767 -0.277 1.00 0.00 H new ATOM 0 HB1 ALA A 89 169.017 3.756 -1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 89 168.999 5.517 -1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 89 170.055 4.809 -0.360 1.00 0.00 H new ATOM 164 N PHE A 90 169.127 3.744 2.000 1.00 0.00 N ATOM 165 CA PHE A 90 169.280 2.670 3.031 1.00 0.00 C ATOM 166 C PHE A 90 168.419 2.953 4.271 1.00 0.00 C ATOM 167 O PHE A 90 167.657 2.115 4.714 1.00 0.00 O ATOM 168 CB PHE A 90 170.764 2.681 3.396 1.00 0.00 C ATOM 169 CG PHE A 90 171.540 1.914 2.354 1.00 0.00 C ATOM 170 CD1 PHE A 90 171.826 2.503 1.116 1.00 0.00 C ATOM 171 CD2 PHE A 90 171.972 0.612 2.626 1.00 0.00 C ATOM 172 CE1 PHE A 90 172.544 1.789 0.151 1.00 0.00 C ATOM 173 CE2 PHE A 90 172.690 -0.102 1.662 1.00 0.00 C ATOM 174 CZ PHE A 90 172.976 0.486 0.423 1.00 0.00 C ATOM 0 H PHE A 90 169.885 4.425 1.966 1.00 0.00 H new ATOM 0 HA PHE A 90 168.952 1.703 2.651 1.00 0.00 H new ATOM 0 HB2 PHE A 90 171.128 3.707 3.455 1.00 0.00 H new ATOM 0 HB3 PHE A 90 170.912 2.233 4.379 1.00 0.00 H new ATOM 0 HD1 PHE A 90 171.492 3.508 0.906 1.00 0.00 H new ATOM 0 HD2 PHE A 90 171.751 0.158 3.581 1.00 0.00 H new ATOM 0 HE1 PHE A 90 172.765 2.243 -0.804 1.00 0.00 H new ATOM 0 HE2 PHE A 90 173.024 -1.107 1.873 1.00 0.00 H new ATOM 0 HZ PHE A 90 173.530 -0.066 -0.322 1.00 0.00 H new ATOM 184 N GLN A 91 168.587 4.108 4.863 1.00 0.00 N ATOM 185 CA GLN A 91 167.843 4.447 6.121 1.00 0.00 C ATOM 186 C GLN A 91 166.340 4.169 6.012 1.00 0.00 C ATOM 187 O GLN A 91 165.733 3.702 6.959 1.00 0.00 O ATOM 188 CB GLN A 91 168.081 5.943 6.334 1.00 0.00 C ATOM 189 CG GLN A 91 169.411 6.150 7.061 1.00 0.00 C ATOM 190 CD GLN A 91 169.407 7.517 7.751 1.00 0.00 C ATOM 191 OE1 GLN A 91 169.308 8.538 7.100 1.00 0.00 O ATOM 192 NE2 GLN A 91 169.511 7.578 9.050 1.00 0.00 N ATOM 0 H GLN A 91 169.213 4.840 4.528 1.00 0.00 H new ATOM 0 HA GLN A 91 168.197 3.833 6.949 1.00 0.00 H new ATOM 0 HB2 GLN A 91 168.095 6.460 5.375 1.00 0.00 H new ATOM 0 HB3 GLN A 91 167.266 6.372 6.916 1.00 0.00 H new ATOM 0 HG2 GLN A 91 169.563 5.360 7.796 1.00 0.00 H new ATOM 0 HG3 GLN A 91 170.238 6.090 6.353 1.00 0.00 H new ATOM 0 HE21 GLN A 91 169.594 6.720 9.596 1.00 0.00 H new ATOM 0 HE22 GLN A 91 169.509 8.483 9.520 1.00 0.00 H new ATOM 201 N VAL A 92 165.725 4.459 4.890 1.00 0.00 N ATOM 202 CA VAL A 92 164.252 4.211 4.772 1.00 0.00 C ATOM 203 C VAL A 92 163.945 2.725 5.024 1.00 0.00 C ATOM 204 O VAL A 92 162.971 2.385 5.668 1.00 0.00 O ATOM 205 CB VAL A 92 163.876 4.635 3.348 1.00 0.00 C ATOM 206 CG1 VAL A 92 164.647 3.791 2.332 1.00 0.00 C ATOM 207 CG2 VAL A 92 162.376 4.433 3.138 1.00 0.00 C ATOM 0 H VAL A 92 166.171 4.851 4.061 1.00 0.00 H new ATOM 0 HA VAL A 92 163.676 4.772 5.507 1.00 0.00 H new ATOM 0 HB VAL A 92 164.130 5.686 3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 92 164.374 4.098 1.322 1.00 0.00 H new ATOM 0 HG12 VAL A 92 165.718 3.934 2.478 1.00 0.00 H new ATOM 0 HG13 VAL A 92 164.399 2.739 2.470 1.00 0.00 H new ATOM 0 HG21 VAL A 92 162.107 4.734 2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 92 162.127 3.382 3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 92 161.823 5.039 3.856 1.00 0.00 H new ATOM 217 N PHE A 93 164.791 1.846 4.545 1.00 0.00 N ATOM 218 CA PHE A 93 164.573 0.385 4.784 1.00 0.00 C ATOM 219 C PHE A 93 164.799 0.098 6.271 1.00 0.00 C ATOM 220 O PHE A 93 164.033 -0.618 6.885 1.00 0.00 O ATOM 221 CB PHE A 93 165.621 -0.328 3.926 1.00 0.00 C ATOM 222 CG PHE A 93 165.167 -1.738 3.643 1.00 0.00 C ATOM 223 CD1 PHE A 93 165.017 -2.652 4.693 1.00 0.00 C ATOM 224 CD2 PHE A 93 164.896 -2.132 2.329 1.00 0.00 C ATOM 225 CE1 PHE A 93 164.596 -3.961 4.427 1.00 0.00 C ATOM 226 CE2 PHE A 93 164.474 -3.440 2.062 1.00 0.00 C ATOM 227 CZ PHE A 93 164.324 -4.354 3.112 1.00 0.00 C ATOM 0 H PHE A 93 165.622 2.076 4.000 1.00 0.00 H new ATOM 0 HA PHE A 93 163.567 0.053 4.526 1.00 0.00 H new ATOM 0 HB2 PHE A 93 165.769 0.212 2.991 1.00 0.00 H new ATOM 0 HB3 PHE A 93 166.581 -0.341 4.442 1.00 0.00 H new ATOM 0 HD1 PHE A 93 165.226 -2.348 5.708 1.00 0.00 H new ATOM 0 HD2 PHE A 93 165.012 -1.427 1.519 1.00 0.00 H new ATOM 0 HE1 PHE A 93 164.481 -4.667 5.236 1.00 0.00 H new ATOM 0 HE2 PHE A 93 164.264 -3.744 1.047 1.00 0.00 H new ATOM 0 HZ PHE A 93 163.998 -5.363 2.907 1.00 0.00 H new ATOM 237 N ASP A 94 165.845 0.634 6.847 1.00 0.00 N ATOM 238 CA ASP A 94 166.128 0.379 8.298 1.00 0.00 C ATOM 239 C ASP A 94 164.990 0.905 9.181 1.00 0.00 C ATOM 240 O ASP A 94 165.064 1.992 9.722 1.00 0.00 O ATOM 241 CB ASP A 94 167.424 1.139 8.596 1.00 0.00 C ATOM 242 CG ASP A 94 168.563 0.553 7.758 1.00 0.00 C ATOM 243 OD1 ASP A 94 168.693 -0.659 7.738 1.00 0.00 O ATOM 244 OD2 ASP A 94 169.284 1.327 7.152 1.00 0.00 O ATOM 0 H ASP A 94 166.518 1.239 6.377 1.00 0.00 H new ATOM 0 HA ASP A 94 166.217 -0.687 8.506 1.00 0.00 H new ATOM 0 HB2 ASP A 94 167.298 2.197 8.368 1.00 0.00 H new ATOM 0 HB3 ASP A 94 167.664 1.067 9.657 1.00 0.00 H new ATOM 249 N LYS A 95 163.942 0.134 9.331 1.00 0.00 N ATOM 250 CA LYS A 95 162.794 0.574 10.180 1.00 0.00 C ATOM 251 C LYS A 95 163.191 0.603 11.665 1.00 0.00 C ATOM 252 O LYS A 95 162.511 1.201 12.479 1.00 0.00 O ATOM 253 CB LYS A 95 161.681 -0.455 9.930 1.00 0.00 C ATOM 254 CG LYS A 95 162.139 -1.850 10.369 1.00 0.00 C ATOM 255 CD LYS A 95 160.946 -2.807 10.354 1.00 0.00 C ATOM 256 CE LYS A 95 161.192 -3.948 11.344 1.00 0.00 C ATOM 257 NZ LYS A 95 159.888 -4.661 11.440 1.00 0.00 N ATOM 0 H LYS A 95 163.832 -0.784 8.900 1.00 0.00 H new ATOM 0 HA LYS A 95 162.471 1.584 9.929 1.00 0.00 H new ATOM 0 HB2 LYS A 95 160.783 -0.170 10.478 1.00 0.00 H new ATOM 0 HB3 LYS A 95 161.418 -0.467 8.872 1.00 0.00 H new ATOM 0 HG2 LYS A 95 162.920 -2.215 9.702 1.00 0.00 H new ATOM 0 HG3 LYS A 95 162.570 -1.805 11.369 1.00 0.00 H new ATOM 0 HD2 LYS A 95 160.034 -2.272 10.619 1.00 0.00 H new ATOM 0 HD3 LYS A 95 160.800 -3.207 9.351 1.00 0.00 H new ATOM 0 HE2 LYS A 95 161.981 -4.613 10.992 1.00 0.00 H new ATOM 0 HE3 LYS A 95 161.506 -3.567 12.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 159.976 -5.458 12.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 159.158 -4.005 11.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 159.618 -5.018 10.501 1.00 0.00 H new ATOM 271 N GLU A 96 164.291 -0.022 12.024 1.00 0.00 N ATOM 272 CA GLU A 96 164.730 -0.010 13.454 1.00 0.00 C ATOM 273 C GLU A 96 166.024 0.804 13.613 1.00 0.00 C ATOM 274 O GLU A 96 166.655 0.769 14.651 1.00 0.00 O ATOM 275 CB GLU A 96 164.970 -1.477 13.817 1.00 0.00 C ATOM 276 CG GLU A 96 163.629 -2.206 13.923 1.00 0.00 C ATOM 277 CD GLU A 96 163.740 -3.330 14.954 1.00 0.00 C ATOM 278 OE1 GLU A 96 163.665 -3.033 16.135 1.00 0.00 O ATOM 279 OE2 GLU A 96 163.898 -4.469 14.547 1.00 0.00 O ATOM 0 H GLU A 96 164.900 -0.537 11.388 1.00 0.00 H new ATOM 0 HA GLU A 96 163.986 0.451 14.103 1.00 0.00 H new ATOM 0 HB2 GLU A 96 165.595 -1.952 13.060 1.00 0.00 H new ATOM 0 HB3 GLU A 96 165.508 -1.545 14.763 1.00 0.00 H new ATOM 0 HG2 GLU A 96 162.845 -1.507 14.214 1.00 0.00 H new ATOM 0 HG3 GLU A 96 163.347 -2.615 12.953 1.00 0.00 H new ATOM 286 N SER A 97 166.401 1.558 12.602 1.00 0.00 N ATOM 287 CA SER A 97 167.631 2.419 12.657 1.00 0.00 C ATOM 288 C SER A 97 168.815 1.769 13.395 1.00 0.00 C ATOM 289 O SER A 97 169.274 2.276 14.404 1.00 0.00 O ATOM 290 CB SER A 97 167.184 3.694 13.372 1.00 0.00 C ATOM 291 OG SER A 97 165.988 4.173 12.771 1.00 0.00 O ATOM 0 H SER A 97 165.894 1.613 11.719 1.00 0.00 H new ATOM 0 HA SER A 97 168.009 2.597 11.650 1.00 0.00 H new ATOM 0 HB2 SER A 97 167.018 3.492 14.430 1.00 0.00 H new ATOM 0 HB3 SER A 97 167.965 4.452 13.311 1.00 0.00 H new ATOM 0 HG SER A 97 165.697 4.990 13.228 1.00 0.00 H new ATOM 297 N THR A 98 169.324 0.667 12.897 1.00 0.00 N ATOM 298 CA THR A 98 170.488 0.017 13.574 1.00 0.00 C ATOM 299 C THR A 98 171.789 0.556 12.975 1.00 0.00 C ATOM 300 O THR A 98 172.782 0.714 13.662 1.00 0.00 O ATOM 301 CB THR A 98 170.338 -1.478 13.285 1.00 0.00 C ATOM 302 OG1 THR A 98 170.091 -1.668 11.899 1.00 0.00 O ATOM 303 CG2 THR A 98 169.169 -2.042 14.097 1.00 0.00 C ATOM 0 H THR A 98 168.987 0.194 12.059 1.00 0.00 H new ATOM 0 HA THR A 98 170.515 0.214 14.646 1.00 0.00 H new ATOM 0 HB THR A 98 171.255 -1.997 13.565 1.00 0.00 H new ATOM 0 HG1 THR A 98 169.996 -2.625 11.712 1.00 0.00 H new ATOM 0 HG21 THR A 98 169.063 -3.107 13.890 1.00 0.00 H new ATOM 0 HG22 THR A 98 169.360 -1.896 15.160 1.00 0.00 H new ATOM 0 HG23 THR A 98 168.250 -1.525 13.819 1.00 0.00 H new ATOM 311 N GLY A 99 171.782 0.851 11.701 1.00 0.00 N ATOM 312 CA GLY A 99 173.006 1.394 11.042 1.00 0.00 C ATOM 313 C GLY A 99 173.808 0.271 10.367 1.00 0.00 C ATOM 314 O GLY A 99 174.938 0.477 9.963 1.00 0.00 O ATOM 0 H GLY A 99 170.976 0.738 11.086 1.00 0.00 H new ATOM 0 HA2 GLY A 99 172.724 2.141 10.300 1.00 0.00 H new ATOM 0 HA3 GLY A 99 173.629 1.898 11.781 1.00 0.00 H new ATOM 318 N LYS A 100 173.247 -0.911 10.239 1.00 0.00 N ATOM 319 CA LYS A 100 173.998 -2.029 9.587 1.00 0.00 C ATOM 320 C LYS A 100 173.118 -2.724 8.543 1.00 0.00 C ATOM 321 O LYS A 100 171.905 -2.707 8.640 1.00 0.00 O ATOM 322 CB LYS A 100 174.330 -2.992 10.726 1.00 0.00 C ATOM 323 CG LYS A 100 175.239 -2.294 11.738 1.00 0.00 C ATOM 324 CD LYS A 100 175.897 -3.341 12.637 1.00 0.00 C ATOM 325 CE LYS A 100 176.621 -2.643 13.790 1.00 0.00 C ATOM 326 NZ LYS A 100 177.133 -3.748 14.646 1.00 0.00 N ATOM 0 H LYS A 100 172.307 -1.147 10.557 1.00 0.00 H new ATOM 0 HA LYS A 100 174.890 -1.679 9.068 1.00 0.00 H new ATOM 0 HB2 LYS A 100 173.414 -3.324 11.214 1.00 0.00 H new ATOM 0 HB3 LYS A 100 174.822 -3.881 10.332 1.00 0.00 H new ATOM 0 HG2 LYS A 100 176.002 -1.714 11.219 1.00 0.00 H new ATOM 0 HG3 LYS A 100 174.661 -1.593 12.340 1.00 0.00 H new ATOM 0 HD2 LYS A 100 175.144 -4.025 13.028 1.00 0.00 H new ATOM 0 HD3 LYS A 100 176.602 -3.939 12.060 1.00 0.00 H new ATOM 0 HE2 LYS A 100 177.435 -2.017 13.424 1.00 0.00 H new ATOM 0 HE3 LYS A 100 175.945 -1.994 14.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 177.643 -3.349 15.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 176.335 -4.323 14.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 177.779 -4.345 14.092 1.00 0.00 H new ATOM 340 N VAL A 101 173.716 -3.347 7.556 1.00 0.00 N ATOM 341 CA VAL A 101 172.905 -4.058 6.516 1.00 0.00 C ATOM 342 C VAL A 101 173.696 -5.241 5.946 1.00 0.00 C ATOM 343 O VAL A 101 174.905 -5.303 6.056 1.00 0.00 O ATOM 344 CB VAL A 101 172.612 -3.020 5.426 1.00 0.00 C ATOM 345 CG1 VAL A 101 171.766 -1.887 6.010 1.00 0.00 C ATOM 346 CG2 VAL A 101 173.927 -2.448 4.889 1.00 0.00 C ATOM 0 H VAL A 101 174.726 -3.394 7.425 1.00 0.00 H new ATOM 0 HA VAL A 101 171.982 -4.463 6.930 1.00 0.00 H new ATOM 0 HB VAL A 101 172.067 -3.499 4.613 1.00 0.00 H new ATOM 0 HG11 VAL A 101 171.559 -1.150 5.234 1.00 0.00 H new ATOM 0 HG12 VAL A 101 170.826 -2.291 6.387 1.00 0.00 H new ATOM 0 HG13 VAL A 101 172.309 -1.411 6.826 1.00 0.00 H new ATOM 0 HG21 VAL A 101 173.714 -1.711 4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 101 174.476 -1.972 5.702 1.00 0.00 H new ATOM 0 HG23 VAL A 101 174.529 -3.253 4.468 1.00 0.00 H new ATOM 356 N SER A 102 173.013 -6.173 5.330 1.00 0.00 N ATOM 357 CA SER A 102 173.702 -7.358 4.734 1.00 0.00 C ATOM 358 C SER A 102 174.187 -7.029 3.321 1.00 0.00 C ATOM 359 O SER A 102 173.570 -6.257 2.613 1.00 0.00 O ATOM 360 CB SER A 102 172.625 -8.441 4.675 1.00 0.00 C ATOM 361 OG SER A 102 171.435 -7.891 4.125 1.00 0.00 O ATOM 0 H SER A 102 172.000 -6.163 5.214 1.00 0.00 H new ATOM 0 HA SER A 102 174.573 -7.665 5.313 1.00 0.00 H new ATOM 0 HB2 SER A 102 172.968 -9.278 4.066 1.00 0.00 H new ATOM 0 HB3 SER A 102 172.431 -8.832 5.674 1.00 0.00 H new ATOM 0 HG SER A 102 170.743 -8.584 4.084 1.00 0.00 H new ATOM 367 N VAL A 103 175.286 -7.607 2.903 1.00 0.00 N ATOM 368 CA VAL A 103 175.812 -7.325 1.526 1.00 0.00 C ATOM 369 C VAL A 103 174.753 -7.660 0.466 1.00 0.00 C ATOM 370 O VAL A 103 174.599 -6.944 -0.506 1.00 0.00 O ATOM 371 CB VAL A 103 177.038 -8.235 1.364 1.00 0.00 C ATOM 372 CG1 VAL A 103 177.650 -8.047 -0.029 1.00 0.00 C ATOM 373 CG2 VAL A 103 178.081 -7.878 2.424 1.00 0.00 C ATOM 0 H VAL A 103 175.843 -8.261 3.453 1.00 0.00 H new ATOM 0 HA VAL A 103 176.067 -6.273 1.398 1.00 0.00 H new ATOM 0 HB VAL A 103 176.729 -9.273 1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 103 178.519 -8.696 -0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 103 176.911 -8.303 -0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 103 177.956 -7.008 -0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 103 178.952 -8.524 2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 103 178.382 -6.838 2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 103 177.653 -8.018 3.417 1.00 0.00 H new ATOM 383 N GLY A 104 174.032 -8.743 0.637 1.00 0.00 N ATOM 384 CA GLY A 104 172.994 -9.126 -0.368 1.00 0.00 C ATOM 385 C GLY A 104 171.968 -8.002 -0.527 1.00 0.00 C ATOM 386 O GLY A 104 171.555 -7.676 -1.625 1.00 0.00 O ATOM 0 H GLY A 104 174.119 -9.378 1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 104 173.467 -9.334 -1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 104 172.494 -10.042 -0.053 1.00 0.00 H new ATOM 390 N ASP A 105 171.558 -7.404 0.564 1.00 0.00 N ATOM 391 CA ASP A 105 170.562 -6.294 0.490 1.00 0.00 C ATOM 392 C ASP A 105 171.252 -4.983 0.109 1.00 0.00 C ATOM 393 O ASP A 105 170.765 -4.231 -0.714 1.00 0.00 O ATOM 394 CB ASP A 105 169.961 -6.200 1.893 1.00 0.00 C ATOM 395 CG ASP A 105 168.752 -5.262 1.870 1.00 0.00 C ATOM 396 OD1 ASP A 105 168.944 -4.087 1.608 1.00 0.00 O ATOM 397 OD2 ASP A 105 167.655 -5.737 2.114 1.00 0.00 O ATOM 0 H ASP A 105 171.872 -7.639 1.506 1.00 0.00 H new ATOM 0 HA ASP A 105 169.799 -6.478 -0.266 1.00 0.00 H new ATOM 0 HB2 ASP A 105 169.660 -7.189 2.238 1.00 0.00 H new ATOM 0 HB3 ASP A 105 170.708 -5.831 2.596 1.00 0.00 H new ATOM 402 N LEU A 106 172.380 -4.705 0.713 1.00 0.00 N ATOM 403 CA LEU A 106 173.109 -3.437 0.401 1.00 0.00 C ATOM 404 C LEU A 106 173.480 -3.398 -1.084 1.00 0.00 C ATOM 405 O LEU A 106 173.230 -2.420 -1.765 1.00 0.00 O ATOM 406 CB LEU A 106 174.370 -3.479 1.272 1.00 0.00 C ATOM 407 CG LEU A 106 175.210 -2.218 1.039 1.00 0.00 C ATOM 408 CD1 LEU A 106 175.867 -1.789 2.352 1.00 0.00 C ATOM 409 CD2 LEU A 106 176.297 -2.513 0.002 1.00 0.00 C ATOM 0 H LEU A 106 172.828 -5.301 1.409 1.00 0.00 H new ATOM 0 HA LEU A 106 172.507 -2.551 0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 106 174.093 -3.552 2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 106 174.957 -4.366 1.034 1.00 0.00 H new ATOM 0 HG LEU A 106 174.565 -1.417 0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 106 176.464 -0.892 2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 106 175.096 -1.578 3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 106 176.510 -2.590 2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 106 176.894 -1.617 -0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 106 176.939 -3.315 0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 106 175.832 -2.818 -0.936 1.00 0.00 H new ATOM 421 N ARG A 107 174.077 -4.447 -1.586 1.00 0.00 N ATOM 422 CA ARG A 107 174.469 -4.465 -3.027 1.00 0.00 C ATOM 423 C ARG A 107 173.226 -4.401 -3.916 1.00 0.00 C ATOM 424 O ARG A 107 173.263 -3.852 -5.002 1.00 0.00 O ATOM 425 CB ARG A 107 175.226 -5.780 -3.232 1.00 0.00 C ATOM 426 CG ARG A 107 176.079 -5.695 -4.502 1.00 0.00 C ATOM 427 CD ARG A 107 176.802 -7.025 -4.720 1.00 0.00 C ATOM 428 NE ARG A 107 175.724 -8.001 -5.040 1.00 0.00 N ATOM 429 CZ ARG A 107 175.482 -8.321 -6.282 1.00 0.00 C ATOM 430 NH1 ARG A 107 176.463 -8.670 -7.069 1.00 0.00 N ATOM 431 NH2 ARG A 107 174.260 -8.294 -6.737 1.00 0.00 N ATOM 0 H ARG A 107 174.310 -5.291 -1.062 1.00 0.00 H new ATOM 0 HA ARG A 107 175.087 -3.608 -3.293 1.00 0.00 H new ATOM 0 HB2 ARG A 107 175.861 -5.983 -2.369 1.00 0.00 H new ATOM 0 HB3 ARG A 107 174.521 -6.608 -3.311 1.00 0.00 H new ATOM 0 HG2 ARG A 107 175.449 -5.466 -5.362 1.00 0.00 H new ATOM 0 HG3 ARG A 107 176.803 -4.885 -4.413 1.00 0.00 H new ATOM 0 HD2 ARG A 107 177.524 -6.953 -5.534 1.00 0.00 H new ATOM 0 HD3 ARG A 107 177.354 -7.325 -3.829 1.00 0.00 H new ATOM 0 HE ARG A 107 175.175 -8.419 -4.289 1.00 0.00 H new ATOM 0 HH11 ARG A 107 177.419 -8.693 -6.713 1.00 0.00 H new ATOM 0 HH12 ARG A 107 176.274 -8.920 -8.040 1.00 0.00 H new ATOM 0 HH21 ARG A 107 173.493 -8.023 -6.122 1.00 0.00 H new ATOM 0 HH22 ARG A 107 174.072 -8.544 -7.708 1.00 0.00 H new ATOM 445 N TYR A 108 172.128 -4.967 -3.470 1.00 0.00 N ATOM 446 CA TYR A 108 170.891 -4.943 -4.305 1.00 0.00 C ATOM 447 C TYR A 108 170.347 -3.515 -4.418 1.00 0.00 C ATOM 448 O TYR A 108 170.018 -3.060 -5.498 1.00 0.00 O ATOM 449 CB TYR A 108 169.892 -5.859 -3.596 1.00 0.00 C ATOM 450 CG TYR A 108 168.663 -6.028 -4.455 1.00 0.00 C ATOM 451 CD1 TYR A 108 168.682 -6.917 -5.536 1.00 0.00 C ATOM 452 CD2 TYR A 108 167.504 -5.295 -4.171 1.00 0.00 C ATOM 453 CE1 TYR A 108 167.541 -7.073 -6.334 1.00 0.00 C ATOM 454 CE2 TYR A 108 166.364 -5.452 -4.968 1.00 0.00 C ATOM 455 CZ TYR A 108 166.383 -6.341 -6.050 1.00 0.00 C ATOM 456 OH TYR A 108 165.259 -6.495 -6.836 1.00 0.00 O ATOM 0 H TYR A 108 172.038 -5.440 -2.571 1.00 0.00 H new ATOM 0 HA TYR A 108 171.083 -5.283 -5.323 1.00 0.00 H new ATOM 0 HB2 TYR A 108 170.348 -6.830 -3.401 1.00 0.00 H new ATOM 0 HB3 TYR A 108 169.617 -5.436 -2.630 1.00 0.00 H new ATOM 0 HD1 TYR A 108 169.576 -7.482 -5.755 1.00 0.00 H new ATOM 0 HD2 TYR A 108 167.490 -4.609 -3.337 1.00 0.00 H new ATOM 0 HE1 TYR A 108 167.555 -7.758 -7.168 1.00 0.00 H new ATOM 0 HE2 TYR A 108 165.470 -4.888 -4.749 1.00 0.00 H new ATOM 0 HH TYR A 108 164.544 -5.915 -6.501 1.00 0.00 H new ATOM 466 N MET A 109 170.237 -2.810 -3.315 1.00 0.00 N ATOM 467 CA MET A 109 169.698 -1.419 -3.379 1.00 0.00 C ATOM 468 C MET A 109 170.635 -0.531 -4.181 1.00 0.00 C ATOM 469 O MET A 109 170.190 0.283 -4.969 1.00 0.00 O ATOM 470 CB MET A 109 169.616 -0.944 -1.931 1.00 0.00 C ATOM 471 CG MET A 109 168.212 -1.223 -1.380 1.00 0.00 C ATOM 472 SD MET A 109 167.526 0.280 -0.629 1.00 0.00 S ATOM 473 CE MET A 109 167.682 1.355 -2.081 1.00 0.00 C ATOM 0 H MET A 109 170.495 -3.136 -2.384 1.00 0.00 H new ATOM 0 HA MET A 109 168.725 -1.381 -3.868 1.00 0.00 H new ATOM 0 HB2 MET A 109 170.364 -1.456 -1.326 1.00 0.00 H new ATOM 0 HB3 MET A 109 169.836 0.122 -1.874 1.00 0.00 H new ATOM 0 HG2 MET A 109 167.560 -1.568 -2.182 1.00 0.00 H new ATOM 0 HG3 MET A 109 168.256 -2.021 -0.639 1.00 0.00 H new ATOM 0 HE1 MET A 109 166.975 2.180 -2.000 1.00 0.00 H new ATOM 0 HE2 MET A 109 168.696 1.750 -2.134 1.00 0.00 H new ATOM 0 HE3 MET A 109 167.469 0.781 -2.983 1.00 0.00 H new ATOM 483 N LEU A 110 171.928 -0.680 -4.014 1.00 0.00 N ATOM 484 CA LEU A 110 172.877 0.166 -4.806 1.00 0.00 C ATOM 485 C LEU A 110 172.568 -0.030 -6.293 1.00 0.00 C ATOM 486 O LEU A 110 172.467 0.912 -7.054 1.00 0.00 O ATOM 487 CB LEU A 110 174.281 -0.358 -4.464 1.00 0.00 C ATOM 488 CG LEU A 110 175.097 0.747 -3.789 1.00 0.00 C ATOM 489 CD1 LEU A 110 174.647 0.903 -2.334 1.00 0.00 C ATOM 490 CD2 LEU A 110 176.583 0.378 -3.826 1.00 0.00 C ATOM 0 H LEU A 110 172.363 -1.342 -3.372 1.00 0.00 H new ATOM 0 HA LEU A 110 172.797 1.229 -4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 110 174.206 -1.222 -3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 110 174.785 -0.693 -5.371 1.00 0.00 H new ATOM 0 HG LEU A 110 174.941 1.687 -4.319 1.00 0.00 H new ATOM 0 HD11 LEU A 110 175.229 1.690 -1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 110 173.590 1.166 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 110 174.801 -0.036 -1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 110 177.165 1.164 -3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 110 176.738 -0.563 -3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 110 176.905 0.269 -4.862 1.00 0.00 H new ATOM 502 N THR A 111 172.377 -1.262 -6.685 1.00 0.00 N ATOM 503 CA THR A 111 172.038 -1.561 -8.111 1.00 0.00 C ATOM 504 C THR A 111 170.732 -0.855 -8.493 1.00 0.00 C ATOM 505 O THR A 111 170.534 -0.449 -9.622 1.00 0.00 O ATOM 506 CB THR A 111 171.859 -3.080 -8.170 1.00 0.00 C ATOM 507 OG1 THR A 111 173.039 -3.712 -7.692 1.00 0.00 O ATOM 508 CG2 THR A 111 171.598 -3.510 -9.614 1.00 0.00 C ATOM 0 H THR A 111 172.441 -2.079 -6.077 1.00 0.00 H new ATOM 0 HA THR A 111 172.808 -1.217 -8.801 1.00 0.00 H new ATOM 0 HB THR A 111 171.012 -3.371 -7.549 1.00 0.00 H new ATOM 0 HG1 THR A 111 172.977 -3.830 -6.721 1.00 0.00 H new ATOM 0 HG21 THR A 111 171.471 -4.592 -9.654 1.00 0.00 H new ATOM 0 HG22 THR A 111 170.694 -3.024 -9.980 1.00 0.00 H new ATOM 0 HG23 THR A 111 172.443 -3.221 -10.238 1.00 0.00 H new ATOM 516 N GLY A 112 169.861 -0.682 -7.536 1.00 0.00 N ATOM 517 CA GLY A 112 168.572 0.025 -7.783 1.00 0.00 C ATOM 518 C GLY A 112 168.750 1.541 -7.593 1.00 0.00 C ATOM 519 O GLY A 112 167.894 2.324 -7.957 1.00 0.00 O ATOM 0 H GLY A 112 169.991 -1.006 -6.578 1.00 0.00 H new ATOM 0 HA2 GLY A 112 168.223 -0.183 -8.794 1.00 0.00 H new ATOM 0 HA3 GLY A 112 167.809 -0.347 -7.100 1.00 0.00 H new ATOM 523 N LEU A 113 169.838 1.954 -6.983 1.00 0.00 N ATOM 524 CA LEU A 113 170.071 3.407 -6.708 1.00 0.00 C ATOM 525 C LEU A 113 170.927 4.084 -7.792 1.00 0.00 C ATOM 526 O LEU A 113 171.332 5.221 -7.629 1.00 0.00 O ATOM 527 CB LEU A 113 170.835 3.416 -5.376 1.00 0.00 C ATOM 528 CG LEU A 113 170.287 4.507 -4.444 1.00 0.00 C ATOM 529 CD1 LEU A 113 170.348 5.877 -5.130 1.00 0.00 C ATOM 530 CD2 LEU A 113 168.836 4.180 -4.071 1.00 0.00 C ATOM 0 H LEU A 113 170.583 1.336 -6.661 1.00 0.00 H new ATOM 0 HA LEU A 113 169.130 3.957 -6.686 1.00 0.00 H new ATOM 0 HB2 LEU A 113 170.748 2.442 -4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 113 171.896 3.587 -5.560 1.00 0.00 H new ATOM 0 HG LEU A 113 170.898 4.540 -3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 113 169.956 6.639 -4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 113 171.382 6.112 -5.382 1.00 0.00 H new ATOM 0 HD13 LEU A 113 169.749 5.855 -6.041 1.00 0.00 H new ATOM 0 HD21 LEU A 113 168.447 4.954 -3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 113 168.229 4.137 -4.975 1.00 0.00 H new ATOM 0 HD23 LEU A 113 168.799 3.216 -3.563 1.00 0.00 H new ATOM 542 N GLY A 114 171.232 3.412 -8.873 1.00 0.00 N ATOM 543 CA GLY A 114 172.091 4.041 -9.929 1.00 0.00 C ATOM 544 C GLY A 114 173.510 3.475 -9.813 1.00 0.00 C ATOM 545 O GLY A 114 174.486 4.134 -10.117 1.00 0.00 O ATOM 0 H GLY A 114 170.926 2.459 -9.072 1.00 0.00 H new ATOM 0 HA2 GLY A 114 171.683 3.836 -10.919 1.00 0.00 H new ATOM 0 HA3 GLY A 114 172.106 5.124 -9.808 1.00 0.00 H new ATOM 549 N GLU A 115 173.612 2.240 -9.407 1.00 0.00 N ATOM 550 CA GLU A 115 174.950 1.580 -9.297 1.00 0.00 C ATOM 551 C GLU A 115 175.057 0.443 -10.312 1.00 0.00 C ATOM 552 O GLU A 115 174.295 -0.504 -10.263 1.00 0.00 O ATOM 553 CB GLU A 115 175.028 1.029 -7.876 1.00 0.00 C ATOM 554 CG GLU A 115 176.494 0.825 -7.487 1.00 0.00 C ATOM 555 CD GLU A 115 177.174 2.186 -7.322 1.00 0.00 C ATOM 556 OE1 GLU A 115 176.509 3.108 -6.878 1.00 0.00 O ATOM 557 OE2 GLU A 115 178.348 2.282 -7.640 1.00 0.00 O ATOM 0 H GLU A 115 172.821 1.652 -9.144 1.00 0.00 H new ATOM 0 HA GLU A 115 175.762 2.278 -9.500 1.00 0.00 H new ATOM 0 HB2 GLU A 115 174.549 1.718 -7.181 1.00 0.00 H new ATOM 0 HB3 GLU A 115 174.489 0.084 -7.811 1.00 0.00 H new ATOM 0 HG2 GLU A 115 176.559 0.259 -6.558 1.00 0.00 H new ATOM 0 HG3 GLU A 115 177.006 0.241 -8.252 1.00 0.00 H new ATOM 564 N LYS A 116 176.007 0.506 -11.211 1.00 0.00 N ATOM 565 CA LYS A 116 176.163 -0.601 -12.197 1.00 0.00 C ATOM 566 C LYS A 116 177.569 -1.187 -12.088 1.00 0.00 C ATOM 567 O LYS A 116 178.324 -1.236 -13.038 1.00 0.00 O ATOM 568 CB LYS A 116 175.880 -0.010 -13.579 1.00 0.00 C ATOM 569 CG LYS A 116 174.408 0.396 -13.668 1.00 0.00 C ATOM 570 CD LYS A 116 174.123 0.988 -15.049 1.00 0.00 C ATOM 571 CE LYS A 116 172.649 1.395 -15.136 1.00 0.00 C ATOM 572 NZ LYS A 116 172.528 2.126 -16.427 1.00 0.00 N ATOM 0 H LYS A 116 176.676 1.271 -11.303 1.00 0.00 H new ATOM 0 HA LYS A 116 175.469 -1.420 -12.009 1.00 0.00 H new ATOM 0 HB2 LYS A 116 176.518 0.856 -13.754 1.00 0.00 H new ATOM 0 HB3 LYS A 116 176.114 -0.740 -14.354 1.00 0.00 H new ATOM 0 HG2 LYS A 116 173.770 -0.470 -13.494 1.00 0.00 H new ATOM 0 HG3 LYS A 116 174.174 1.126 -12.893 1.00 0.00 H new ATOM 0 HD2 LYS A 116 174.761 1.854 -15.224 1.00 0.00 H new ATOM 0 HD3 LYS A 116 174.356 0.258 -15.824 1.00 0.00 H new ATOM 0 HE2 LYS A 116 171.996 0.522 -15.114 1.00 0.00 H new ATOM 0 HE3 LYS A 116 172.364 2.028 -14.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 171.545 2.438 -16.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 173.155 2.955 -16.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 172.799 1.497 -17.209 1.00 0.00 H new ATOM 586 N LEU A 117 177.889 -1.672 -10.920 1.00 0.00 N ATOM 587 CA LEU A 117 179.204 -2.319 -10.676 1.00 0.00 C ATOM 588 C LEU A 117 179.048 -3.819 -10.925 1.00 0.00 C ATOM 589 O LEU A 117 177.989 -4.377 -10.702 1.00 0.00 O ATOM 590 CB LEU A 117 179.528 -2.035 -9.209 1.00 0.00 C ATOM 591 CG LEU A 117 179.744 -0.533 -9.017 1.00 0.00 C ATOM 592 CD1 LEU A 117 179.844 -0.219 -7.524 1.00 0.00 C ATOM 593 CD2 LEU A 117 181.042 -0.115 -9.712 1.00 0.00 C ATOM 0 H LEU A 117 177.276 -1.645 -10.105 1.00 0.00 H new ATOM 0 HA LEU A 117 179.999 -1.950 -11.324 1.00 0.00 H new ATOM 0 HB2 LEU A 117 178.714 -2.381 -8.572 1.00 0.00 H new ATOM 0 HB3 LEU A 117 180.421 -2.583 -8.910 1.00 0.00 H new ATOM 0 HG LEU A 117 178.905 0.014 -9.448 1.00 0.00 H new ATOM 0 HD11 LEU A 117 179.998 0.851 -7.387 1.00 0.00 H new ATOM 0 HD12 LEU A 117 178.922 -0.520 -7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 117 180.683 -0.764 -7.093 1.00 0.00 H new ATOM 0 HD21 LEU A 117 181.199 0.955 -9.577 1.00 0.00 H new ATOM 0 HD22 LEU A 117 181.879 -0.662 -9.278 1.00 0.00 H new ATOM 0 HD23 LEU A 117 180.974 -0.340 -10.776 1.00 0.00 H new ATOM 605 N THR A 118 180.083 -4.482 -11.365 1.00 0.00 N ATOM 606 CA THR A 118 179.981 -5.952 -11.604 1.00 0.00 C ATOM 607 C THR A 118 180.824 -6.701 -10.571 1.00 0.00 C ATOM 608 O THR A 118 181.855 -6.209 -10.159 1.00 0.00 O ATOM 609 CB THR A 118 180.535 -6.169 -13.010 1.00 0.00 C ATOM 610 OG1 THR A 118 180.066 -5.139 -13.870 1.00 0.00 O ATOM 611 CG2 THR A 118 180.072 -7.528 -13.538 1.00 0.00 C ATOM 0 H THR A 118 180.994 -4.071 -11.569 1.00 0.00 H new ATOM 0 HA THR A 118 178.959 -6.319 -11.515 1.00 0.00 H new ATOM 0 HB THR A 118 181.624 -6.145 -12.978 1.00 0.00 H new ATOM 0 HG1 THR A 118 180.423 -5.278 -14.772 1.00 0.00 H new ATOM 0 HG21 THR A 118 180.468 -7.682 -14.542 1.00 0.00 H new ATOM 0 HG22 THR A 118 180.435 -8.317 -12.879 1.00 0.00 H new ATOM 0 HG23 THR A 118 178.983 -7.554 -13.569 1.00 0.00 H new ATOM 619 N ASP A 119 180.387 -7.860 -10.113 1.00 0.00 N ATOM 620 CA ASP A 119 181.156 -8.630 -9.063 1.00 0.00 C ATOM 621 C ASP A 119 182.678 -8.590 -9.289 1.00 0.00 C ATOM 622 O ASP A 119 183.448 -8.656 -8.349 1.00 0.00 O ATOM 623 CB ASP A 119 180.647 -10.067 -9.191 1.00 0.00 C ATOM 624 CG ASP A 119 181.103 -10.885 -7.980 1.00 0.00 C ATOM 625 OD1 ASP A 119 182.182 -10.615 -7.478 1.00 0.00 O ATOM 626 OD2 ASP A 119 180.365 -11.767 -7.574 1.00 0.00 O ATOM 0 H ASP A 119 179.525 -8.310 -10.423 1.00 0.00 H new ATOM 0 HA ASP A 119 180.998 -8.198 -8.075 1.00 0.00 H new ATOM 0 HB2 ASP A 119 179.559 -10.073 -9.258 1.00 0.00 H new ATOM 0 HB3 ASP A 119 181.025 -10.517 -10.109 1.00 0.00 H new ATOM 631 N ALA A 120 183.113 -8.435 -10.515 1.00 0.00 N ATOM 632 CA ALA A 120 184.581 -8.336 -10.782 1.00 0.00 C ATOM 633 C ALA A 120 185.135 -7.095 -10.074 1.00 0.00 C ATOM 634 O ALA A 120 186.082 -7.175 -9.313 1.00 0.00 O ATOM 635 CB ALA A 120 184.703 -8.177 -12.301 1.00 0.00 C ATOM 0 H ALA A 120 182.517 -8.373 -11.340 1.00 0.00 H new ATOM 0 HA ALA A 120 185.134 -9.204 -10.423 1.00 0.00 H new ATOM 0 HB1 ALA A 120 185.755 -8.098 -12.575 1.00 0.00 H new ATOM 0 HB2 ALA A 120 184.264 -9.044 -12.794 1.00 0.00 H new ATOM 0 HB3 ALA A 120 184.177 -7.276 -12.616 1.00 0.00 H new ATOM 641 N GLU A 121 184.537 -5.952 -10.304 1.00 0.00 N ATOM 642 CA GLU A 121 185.006 -4.702 -9.634 1.00 0.00 C ATOM 643 C GLU A 121 184.538 -4.671 -8.172 1.00 0.00 C ATOM 644 O GLU A 121 185.281 -4.313 -7.279 1.00 0.00 O ATOM 645 CB GLU A 121 184.364 -3.560 -10.424 1.00 0.00 C ATOM 646 CG GLU A 121 185.107 -3.373 -11.748 1.00 0.00 C ATOM 647 CD GLU A 121 184.477 -2.217 -12.528 1.00 0.00 C ATOM 648 OE1 GLU A 121 183.503 -2.457 -13.222 1.00 0.00 O ATOM 649 OE2 GLU A 121 184.979 -1.110 -12.416 1.00 0.00 O ATOM 0 H GLU A 121 183.741 -5.832 -10.930 1.00 0.00 H new ATOM 0 HA GLU A 121 186.093 -4.629 -9.621 1.00 0.00 H new ATOM 0 HB2 GLU A 121 183.313 -3.780 -10.613 1.00 0.00 H new ATOM 0 HB3 GLU A 121 184.397 -2.638 -9.843 1.00 0.00 H new ATOM 0 HG2 GLU A 121 186.161 -3.167 -11.560 1.00 0.00 H new ATOM 0 HG3 GLU A 121 185.061 -4.290 -12.336 1.00 0.00 H new ATOM 656 N VAL A 122 183.307 -5.048 -7.929 1.00 0.00 N ATOM 657 CA VAL A 122 182.773 -5.053 -6.529 1.00 0.00 C ATOM 658 C VAL A 122 183.603 -5.987 -5.644 1.00 0.00 C ATOM 659 O VAL A 122 183.817 -5.708 -4.479 1.00 0.00 O ATOM 660 CB VAL A 122 181.326 -5.558 -6.637 1.00 0.00 C ATOM 661 CG1 VAL A 122 180.678 -5.573 -5.248 1.00 0.00 C ATOM 662 CG2 VAL A 122 180.523 -4.630 -7.550 1.00 0.00 C ATOM 0 H VAL A 122 182.645 -5.354 -8.642 1.00 0.00 H new ATOM 0 HA VAL A 122 182.819 -4.062 -6.077 1.00 0.00 H new ATOM 0 HB VAL A 122 181.332 -6.566 -7.051 1.00 0.00 H new ATOM 0 HG11 VAL A 122 179.652 -5.932 -5.329 1.00 0.00 H new ATOM 0 HG12 VAL A 122 181.243 -6.234 -4.590 1.00 0.00 H new ATOM 0 HG13 VAL A 122 180.678 -4.564 -4.836 1.00 0.00 H new ATOM 0 HG21 VAL A 122 179.497 -4.991 -7.624 1.00 0.00 H new ATOM 0 HG22 VAL A 122 180.524 -3.622 -7.135 1.00 0.00 H new ATOM 0 HG23 VAL A 122 180.975 -4.615 -8.542 1.00 0.00 H new ATOM 672 N ASP A 123 184.078 -7.085 -6.179 1.00 0.00 N ATOM 673 CA ASP A 123 184.898 -8.016 -5.345 1.00 0.00 C ATOM 674 C ASP A 123 186.193 -7.312 -4.924 1.00 0.00 C ATOM 675 O ASP A 123 186.659 -7.469 -3.812 1.00 0.00 O ATOM 676 CB ASP A 123 185.183 -9.233 -6.230 1.00 0.00 C ATOM 677 CG ASP A 123 186.019 -10.251 -5.451 1.00 0.00 C ATOM 678 OD1 ASP A 123 185.692 -10.501 -4.303 1.00 0.00 O ATOM 679 OD2 ASP A 123 186.972 -10.762 -6.017 1.00 0.00 O ATOM 0 H ASP A 123 183.935 -7.374 -7.147 1.00 0.00 H new ATOM 0 HA ASP A 123 184.387 -8.321 -4.432 1.00 0.00 H new ATOM 0 HB2 ASP A 123 184.246 -9.688 -6.553 1.00 0.00 H new ATOM 0 HB3 ASP A 123 185.714 -8.924 -7.130 1.00 0.00 H new ATOM 684 N GLU A 124 186.763 -6.521 -5.802 1.00 0.00 N ATOM 685 CA GLU A 124 188.017 -5.783 -5.450 1.00 0.00 C ATOM 686 C GLU A 124 187.757 -4.864 -4.250 1.00 0.00 C ATOM 687 O GLU A 124 188.515 -4.837 -3.299 1.00 0.00 O ATOM 688 CB GLU A 124 188.359 -4.952 -6.690 1.00 0.00 C ATOM 689 CG GLU A 124 188.815 -5.879 -7.818 1.00 0.00 C ATOM 690 CD GLU A 124 190.161 -6.507 -7.451 1.00 0.00 C ATOM 691 OE1 GLU A 124 191.085 -5.759 -7.172 1.00 0.00 O ATOM 692 OE2 GLU A 124 190.246 -7.723 -7.456 1.00 0.00 O ATOM 0 H GLU A 124 186.414 -6.355 -6.746 1.00 0.00 H new ATOM 0 HA GLU A 124 188.830 -6.456 -5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 124 187.488 -4.378 -7.007 1.00 0.00 H new ATOM 0 HB3 GLU A 124 189.145 -4.235 -6.454 1.00 0.00 H new ATOM 0 HG2 GLU A 124 188.072 -6.659 -7.985 1.00 0.00 H new ATOM 0 HG3 GLU A 124 188.905 -5.319 -8.749 1.00 0.00 H new ATOM 699 N LEU A 125 186.681 -4.120 -4.293 1.00 0.00 N ATOM 700 CA LEU A 125 186.346 -3.202 -3.159 1.00 0.00 C ATOM 701 C LEU A 125 186.141 -4.011 -1.875 1.00 0.00 C ATOM 702 O LEU A 125 186.704 -3.716 -0.839 1.00 0.00 O ATOM 703 CB LEU A 125 185.030 -2.523 -3.571 1.00 0.00 C ATOM 704 CG LEU A 125 185.300 -1.107 -4.104 1.00 0.00 C ATOM 705 CD1 LEU A 125 185.951 -0.254 -3.012 1.00 0.00 C ATOM 706 CD2 LEU A 125 186.229 -1.175 -5.322 1.00 0.00 C ATOM 0 H LEU A 125 186.017 -4.108 -5.067 1.00 0.00 H new ATOM 0 HA LEU A 125 187.138 -2.479 -2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 125 184.531 -3.117 -4.337 1.00 0.00 H new ATOM 0 HB3 LEU A 125 184.356 -2.474 -2.716 1.00 0.00 H new ATOM 0 HG LEU A 125 184.353 -0.655 -4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 125 186.139 0.748 -3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 125 185.284 -0.193 -2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 125 186.894 -0.709 -2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 125 186.416 -0.168 -5.694 1.00 0.00 H new ATOM 0 HD22 LEU A 125 187.174 -1.636 -5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 125 185.759 -1.770 -6.105 1.00 0.00 H new ATOM 718 N LEU A 126 185.331 -5.035 -1.954 1.00 0.00 N ATOM 719 CA LEU A 126 185.062 -5.894 -0.758 1.00 0.00 C ATOM 720 C LEU A 126 186.352 -6.542 -0.242 1.00 0.00 C ATOM 721 O LEU A 126 186.416 -7.006 0.880 1.00 0.00 O ATOM 722 CB LEU A 126 184.105 -6.979 -1.260 1.00 0.00 C ATOM 723 CG LEU A 126 182.703 -6.389 -1.425 1.00 0.00 C ATOM 724 CD1 LEU A 126 181.851 -7.332 -2.276 1.00 0.00 C ATOM 725 CD2 LEU A 126 182.054 -6.219 -0.047 1.00 0.00 C ATOM 0 H LEU A 126 184.840 -5.316 -2.802 1.00 0.00 H new ATOM 0 HA LEU A 126 184.649 -5.313 0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 126 184.457 -7.377 -2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 126 184.080 -7.811 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 126 182.773 -5.418 -1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 126 180.852 -6.913 -2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 126 182.312 -7.454 -3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 126 181.781 -8.303 -1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 126 181.055 -5.799 -0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 126 181.984 -7.189 0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 126 182.661 -5.548 0.561 1.00 0.00 H new ATOM 737 N LYS A 127 187.368 -6.608 -1.070 1.00 0.00 N ATOM 738 CA LYS A 127 188.646 -7.265 -0.651 1.00 0.00 C ATOM 739 C LYS A 127 189.219 -6.609 0.609 1.00 0.00 C ATOM 740 O LYS A 127 189.999 -7.205 1.327 1.00 0.00 O ATOM 741 CB LYS A 127 189.603 -7.046 -1.825 1.00 0.00 C ATOM 742 CG LYS A 127 190.880 -7.856 -1.595 1.00 0.00 C ATOM 743 CD LYS A 127 191.631 -8.016 -2.919 1.00 0.00 C ATOM 744 CE LYS A 127 192.410 -9.333 -2.906 1.00 0.00 C ATOM 745 NZ LYS A 127 193.745 -8.986 -2.346 1.00 0.00 N ATOM 0 H LYS A 127 187.366 -6.234 -2.019 1.00 0.00 H new ATOM 0 HA LYS A 127 188.494 -8.319 -0.417 1.00 0.00 H new ATOM 0 HB2 LYS A 127 189.128 -7.351 -2.758 1.00 0.00 H new ATOM 0 HB3 LYS A 127 189.843 -5.987 -1.921 1.00 0.00 H new ATOM 0 HG2 LYS A 127 191.514 -7.355 -0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 127 190.633 -8.835 -1.185 1.00 0.00 H new ATOM 0 HD2 LYS A 127 190.928 -8.005 -3.752 1.00 0.00 H new ATOM 0 HD3 LYS A 127 192.313 -7.179 -3.066 1.00 0.00 H new ATOM 0 HE2 LYS A 127 191.908 -10.082 -2.294 1.00 0.00 H new ATOM 0 HE3 LYS A 127 192.499 -9.749 -3.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 194.337 -9.840 -2.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 194.202 -8.276 -2.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 193.630 -8.599 -1.387 1.00 0.00 H new ATOM 759 N GLY A 128 188.840 -5.383 0.881 1.00 0.00 N ATOM 760 CA GLY A 128 189.363 -4.682 2.089 1.00 0.00 C ATOM 761 C GLY A 128 188.231 -4.429 3.094 1.00 0.00 C ATOM 762 O GLY A 128 188.482 -4.101 4.239 1.00 0.00 O ATOM 0 H GLY A 128 188.189 -4.839 0.315 1.00 0.00 H new ATOM 0 HA2 GLY A 128 190.144 -5.282 2.555 1.00 0.00 H new ATOM 0 HA3 GLY A 128 189.819 -3.735 1.799 1.00 0.00 H new ATOM 766 N VAL A 129 186.989 -4.576 2.685 1.00 0.00 N ATOM 767 CA VAL A 129 185.858 -4.339 3.634 1.00 0.00 C ATOM 768 C VAL A 129 185.844 -5.421 4.718 1.00 0.00 C ATOM 769 O VAL A 129 185.841 -6.606 4.446 1.00 0.00 O ATOM 770 CB VAL A 129 184.583 -4.381 2.784 1.00 0.00 C ATOM 771 CG1 VAL A 129 183.360 -4.147 3.673 1.00 0.00 C ATOM 772 CG2 VAL A 129 184.647 -3.287 1.716 1.00 0.00 C ATOM 0 H VAL A 129 186.715 -4.848 1.741 1.00 0.00 H new ATOM 0 HA VAL A 129 185.949 -3.383 4.150 1.00 0.00 H new ATOM 0 HB VAL A 129 184.502 -5.358 2.307 1.00 0.00 H new ATOM 0 HG11 VAL A 129 182.456 -4.178 3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 129 183.310 -4.924 4.436 1.00 0.00 H new ATOM 0 HG13 VAL A 129 183.441 -3.172 4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 129 183.741 -3.316 1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 129 184.731 -2.313 2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 129 185.515 -3.452 1.078 1.00 0.00 H new ATOM 782 N GLU A 130 185.846 -4.991 5.950 1.00 0.00 N ATOM 783 CA GLU A 130 185.846 -5.937 7.104 1.00 0.00 C ATOM 784 C GLU A 130 184.419 -6.288 7.532 1.00 0.00 C ATOM 785 O GLU A 130 183.774 -5.547 8.251 1.00 0.00 O ATOM 786 CB GLU A 130 186.560 -5.177 8.222 1.00 0.00 C ATOM 787 CG GLU A 130 186.714 -6.089 9.445 1.00 0.00 C ATOM 788 CD GLU A 130 187.425 -5.336 10.577 1.00 0.00 C ATOM 789 OE1 GLU A 130 188.100 -4.357 10.292 1.00 0.00 O ATOM 790 OE2 GLU A 130 187.290 -5.759 11.714 1.00 0.00 O ATOM 0 H GLU A 130 185.848 -4.005 6.211 1.00 0.00 H new ATOM 0 HA GLU A 130 186.333 -6.880 6.856 1.00 0.00 H new ATOM 0 HB2 GLU A 130 187.539 -4.841 7.880 1.00 0.00 H new ATOM 0 HB3 GLU A 130 185.993 -4.285 8.489 1.00 0.00 H new ATOM 0 HG2 GLU A 130 185.734 -6.427 9.782 1.00 0.00 H new ATOM 0 HG3 GLU A 130 187.283 -6.979 9.176 1.00 0.00 H new ATOM 797 N VAL A 131 183.940 -7.431 7.115 1.00 0.00 N ATOM 798 CA VAL A 131 182.573 -7.873 7.509 1.00 0.00 C ATOM 799 C VAL A 131 182.640 -8.532 8.892 1.00 0.00 C ATOM 800 O VAL A 131 183.680 -9.011 9.304 1.00 0.00 O ATOM 801 CB VAL A 131 182.149 -8.878 6.429 1.00 0.00 C ATOM 802 CG1 VAL A 131 183.129 -10.059 6.378 1.00 0.00 C ATOM 803 CG2 VAL A 131 180.746 -9.394 6.748 1.00 0.00 C ATOM 0 H VAL A 131 184.444 -8.082 6.513 1.00 0.00 H new ATOM 0 HA VAL A 131 181.859 -7.052 7.578 1.00 0.00 H new ATOM 0 HB VAL A 131 182.153 -8.380 5.460 1.00 0.00 H new ATOM 0 HG11 VAL A 131 182.813 -10.761 5.607 1.00 0.00 H new ATOM 0 HG12 VAL A 131 184.129 -9.692 6.147 1.00 0.00 H new ATOM 0 HG13 VAL A 131 183.142 -10.563 7.344 1.00 0.00 H new ATOM 0 HG21 VAL A 131 180.439 -10.109 5.984 1.00 0.00 H new ATOM 0 HG22 VAL A 131 180.751 -9.883 7.722 1.00 0.00 H new ATOM 0 HG23 VAL A 131 180.046 -8.558 6.766 1.00 0.00 H new ATOM 813 N ASP A 132 181.549 -8.546 9.616 1.00 0.00 N ATOM 814 CA ASP A 132 181.562 -9.157 10.979 1.00 0.00 C ATOM 815 C ASP A 132 181.053 -10.601 10.943 1.00 0.00 C ATOM 816 O ASP A 132 180.777 -11.154 9.896 1.00 0.00 O ATOM 817 CB ASP A 132 180.619 -8.282 11.806 1.00 0.00 C ATOM 818 CG ASP A 132 181.259 -6.911 12.036 1.00 0.00 C ATOM 819 OD1 ASP A 132 182.473 -6.854 12.147 1.00 0.00 O ATOM 820 OD2 ASP A 132 180.523 -5.940 12.100 1.00 0.00 O ATOM 0 H ASP A 132 180.651 -8.161 9.322 1.00 0.00 H new ATOM 0 HA ASP A 132 182.569 -9.197 11.395 1.00 0.00 H new ATOM 0 HB2 ASP A 132 179.666 -8.167 11.289 1.00 0.00 H new ATOM 0 HB3 ASP A 132 180.407 -8.761 12.762 1.00 0.00 H new ATOM 825 N SER A 133 180.936 -11.209 12.097 1.00 0.00 N ATOM 826 CA SER A 133 180.454 -12.625 12.174 1.00 0.00 C ATOM 827 C SER A 133 178.949 -12.736 11.867 1.00 0.00 C ATOM 828 O SER A 133 178.401 -13.822 11.853 1.00 0.00 O ATOM 829 CB SER A 133 180.737 -13.062 13.611 1.00 0.00 C ATOM 830 OG SER A 133 182.086 -13.502 13.712 1.00 0.00 O ATOM 0 H SER A 133 181.155 -10.782 12.997 1.00 0.00 H new ATOM 0 HA SER A 133 180.956 -13.252 11.438 1.00 0.00 H new ATOM 0 HB2 SER A 133 180.561 -12.233 14.297 1.00 0.00 H new ATOM 0 HB3 SER A 133 180.058 -13.865 13.900 1.00 0.00 H new ATOM 0 HG SER A 133 182.271 -13.781 14.633 1.00 0.00 H new ATOM 836 N ASN A 134 178.278 -11.637 11.602 1.00 0.00 N ATOM 837 CA ASN A 134 176.822 -11.701 11.274 1.00 0.00 C ATOM 838 C ASN A 134 176.599 -11.434 9.776 1.00 0.00 C ATOM 839 O ASN A 134 175.523 -11.666 9.256 1.00 0.00 O ATOM 840 CB ASN A 134 176.172 -10.606 12.120 1.00 0.00 C ATOM 841 CG ASN A 134 174.723 -10.989 12.427 1.00 0.00 C ATOM 842 OD1 ASN A 134 174.338 -11.093 13.670 1.00 0.00 O flip ATOM 843 ND2 ASN A 134 173.933 -11.196 11.527 1.00 0.00 N flip ATOM 0 H ASN A 134 178.680 -10.699 11.600 1.00 0.00 H new ATOM 0 HA ASN A 134 176.397 -12.682 11.486 1.00 0.00 H new ATOM 0 HB2 ASN A 134 176.728 -10.471 13.048 1.00 0.00 H new ATOM 0 HB3 ASN A 134 176.203 -9.655 11.589 1.00 0.00 H new ATOM 0 HD21 ASN A 134 174.234 -11.115 10.556 1.00 0.00 H new ATOM 0 HD22 ASN A 134 172.969 -11.451 11.743 1.00 0.00 H new ATOM 850 N GLY A 135 177.604 -10.955 9.078 1.00 0.00 N ATOM 851 CA GLY A 135 177.448 -10.684 7.618 1.00 0.00 C ATOM 852 C GLY A 135 176.887 -9.275 7.407 1.00 0.00 C ATOM 853 O GLY A 135 176.232 -9.002 6.418 1.00 0.00 O ATOM 0 H GLY A 135 178.525 -10.741 9.460 1.00 0.00 H new ATOM 0 HA2 GLY A 135 178.411 -10.780 7.116 1.00 0.00 H new ATOM 0 HA3 GLY A 135 176.781 -11.421 7.172 1.00 0.00 H new ATOM 857 N GLU A 136 177.129 -8.383 8.335 1.00 0.00 N ATOM 858 CA GLU A 136 176.599 -6.994 8.200 1.00 0.00 C ATOM 859 C GLU A 136 177.737 -5.992 7.981 1.00 0.00 C ATOM 860 O GLU A 136 178.756 -6.037 8.644 1.00 0.00 O ATOM 861 CB GLU A 136 175.886 -6.713 9.523 1.00 0.00 C ATOM 862 CG GLU A 136 174.616 -7.562 9.608 1.00 0.00 C ATOM 863 CD GLU A 136 173.958 -7.358 10.975 1.00 0.00 C ATOM 864 OE1 GLU A 136 174.321 -8.069 11.897 1.00 0.00 O ATOM 865 OE2 GLU A 136 173.102 -6.495 11.076 1.00 0.00 O ATOM 0 H GLU A 136 177.672 -8.558 9.181 1.00 0.00 H new ATOM 0 HA GLU A 136 175.933 -6.896 7.343 1.00 0.00 H new ATOM 0 HB2 GLU A 136 176.546 -6.942 10.360 1.00 0.00 H new ATOM 0 HB3 GLU A 136 175.635 -5.655 9.595 1.00 0.00 H new ATOM 0 HG2 GLU A 136 173.924 -7.282 8.814 1.00 0.00 H new ATOM 0 HG3 GLU A 136 174.859 -8.615 9.462 1.00 0.00 H new ATOM 872 N ILE A 137 177.553 -5.081 7.062 1.00 0.00 N ATOM 873 CA ILE A 137 178.601 -4.053 6.792 1.00 0.00 C ATOM 874 C ILE A 137 177.984 -2.655 6.926 1.00 0.00 C ATOM 875 O ILE A 137 176.847 -2.427 6.560 1.00 0.00 O ATOM 876 CB ILE A 137 179.086 -4.332 5.360 1.00 0.00 C ATOM 877 CG1 ILE A 137 179.889 -5.637 5.346 1.00 0.00 C ATOM 878 CG2 ILE A 137 179.991 -3.193 4.868 1.00 0.00 C ATOM 879 CD1 ILE A 137 178.943 -6.839 5.288 1.00 0.00 C ATOM 0 H ILE A 137 176.717 -5.005 6.483 1.00 0.00 H new ATOM 0 HA ILE A 137 179.435 -4.097 7.493 1.00 0.00 H new ATOM 0 HB ILE A 137 178.218 -4.410 4.705 1.00 0.00 H new ATOM 0 HG12 ILE A 137 180.559 -5.651 4.487 1.00 0.00 H new ATOM 0 HG13 ILE A 137 180.513 -5.698 6.238 1.00 0.00 H new ATOM 0 HG21 ILE A 137 180.325 -3.407 3.853 1.00 0.00 H new ATOM 0 HG22 ILE A 137 179.434 -2.256 4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 137 180.857 -3.107 5.525 1.00 0.00 H new ATOM 0 HD11 ILE A 137 179.525 -7.760 5.279 1.00 0.00 H new ATOM 0 HD12 ILE A 137 178.291 -6.831 6.161 1.00 0.00 H new ATOM 0 HD13 ILE A 137 178.338 -6.783 4.383 1.00 0.00 H new ATOM 891 N ASP A 138 178.735 -1.731 7.460 1.00 0.00 N ATOM 892 CA ASP A 138 178.210 -0.341 7.640 1.00 0.00 C ATOM 893 C ASP A 138 178.049 0.351 6.277 1.00 0.00 C ATOM 894 O ASP A 138 179.017 0.674 5.616 1.00 0.00 O ATOM 895 CB ASP A 138 179.255 0.379 8.506 1.00 0.00 C ATOM 896 CG ASP A 138 180.646 0.332 7.854 1.00 0.00 C ATOM 897 OD1 ASP A 138 180.827 -0.411 6.902 1.00 0.00 O ATOM 898 OD2 ASP A 138 181.515 1.047 8.324 1.00 0.00 O ATOM 0 H ASP A 138 179.692 -1.876 7.781 1.00 0.00 H new ATOM 0 HA ASP A 138 177.227 -0.331 8.111 1.00 0.00 H new ATOM 0 HB2 ASP A 138 178.955 1.416 8.655 1.00 0.00 H new ATOM 0 HB3 ASP A 138 179.297 -0.085 9.491 1.00 0.00 H new ATOM 903 N TYR A 139 176.829 0.555 5.847 1.00 0.00 N ATOM 904 CA TYR A 139 176.589 1.198 4.514 1.00 0.00 C ATOM 905 C TYR A 139 177.080 2.656 4.473 1.00 0.00 C ATOM 906 O TYR A 139 177.567 3.122 3.460 1.00 0.00 O ATOM 907 CB TYR A 139 175.065 1.122 4.295 1.00 0.00 C ATOM 908 CG TYR A 139 174.312 1.987 5.282 1.00 0.00 C ATOM 909 CD1 TYR A 139 173.890 1.454 6.505 1.00 0.00 C ATOM 910 CD2 TYR A 139 174.014 3.316 4.959 1.00 0.00 C ATOM 911 CE1 TYR A 139 173.176 2.249 7.406 1.00 0.00 C ATOM 912 CE2 TYR A 139 173.295 4.111 5.859 1.00 0.00 C ATOM 913 CZ TYR A 139 172.877 3.578 7.084 1.00 0.00 C ATOM 914 OH TYR A 139 172.168 4.361 7.973 1.00 0.00 O ATOM 0 H TYR A 139 175.985 0.304 6.362 1.00 0.00 H new ATOM 0 HA TYR A 139 177.145 0.686 3.728 1.00 0.00 H new ATOM 0 HB2 TYR A 139 174.827 1.438 3.279 1.00 0.00 H new ATOM 0 HB3 TYR A 139 174.735 0.088 4.392 1.00 0.00 H new ATOM 0 HD1 TYR A 139 174.116 0.427 6.753 1.00 0.00 H new ATOM 0 HD2 TYR A 139 174.339 3.728 4.015 1.00 0.00 H new ATOM 0 HE1 TYR A 139 172.855 1.838 8.351 1.00 0.00 H new ATOM 0 HE2 TYR A 139 173.063 5.136 5.608 1.00 0.00 H new ATOM 0 HH TYR A 139 172.771 4.691 8.671 1.00 0.00 H new ATOM 924 N LYS A 140 176.932 3.382 5.555 1.00 0.00 N ATOM 925 CA LYS A 140 177.362 4.821 5.569 1.00 0.00 C ATOM 926 C LYS A 140 178.859 4.973 5.281 1.00 0.00 C ATOM 927 O LYS A 140 179.292 5.970 4.732 1.00 0.00 O ATOM 928 CB LYS A 140 177.068 5.317 6.988 1.00 0.00 C ATOM 929 CG LYS A 140 175.567 5.539 7.161 1.00 0.00 C ATOM 930 CD LYS A 140 175.329 6.632 8.205 1.00 0.00 C ATOM 931 CE LYS A 140 174.041 7.386 7.871 1.00 0.00 C ATOM 932 NZ LYS A 140 173.892 8.392 8.960 1.00 0.00 N ATOM 0 H LYS A 140 176.532 3.043 6.430 1.00 0.00 H new ATOM 0 HA LYS A 140 176.836 5.386 4.800 1.00 0.00 H new ATOM 0 HB2 LYS A 140 177.423 4.589 7.718 1.00 0.00 H new ATOM 0 HB3 LYS A 140 177.606 6.246 7.176 1.00 0.00 H new ATOM 0 HG2 LYS A 140 175.119 5.826 6.210 1.00 0.00 H new ATOM 0 HG3 LYS A 140 175.085 4.612 7.473 1.00 0.00 H new ATOM 0 HD2 LYS A 140 175.257 6.191 9.199 1.00 0.00 H new ATOM 0 HD3 LYS A 140 176.173 7.322 8.223 1.00 0.00 H new ATOM 0 HE2 LYS A 140 174.107 7.867 6.895 1.00 0.00 H new ATOM 0 HE3 LYS A 140 173.186 6.711 7.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 173.029 8.950 8.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 173.825 7.904 9.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 174.718 9.024 8.964 1.00 0.00 H new ATOM 946 N LYS A 141 179.652 4.012 5.675 1.00 0.00 N ATOM 947 CA LYS A 141 181.128 4.120 5.456 1.00 0.00 C ATOM 948 C LYS A 141 181.536 3.659 4.054 1.00 0.00 C ATOM 949 O LYS A 141 182.434 4.218 3.452 1.00 0.00 O ATOM 950 CB LYS A 141 181.754 3.213 6.513 1.00 0.00 C ATOM 951 CG LYS A 141 181.447 3.764 7.909 1.00 0.00 C ATOM 952 CD LYS A 141 182.640 3.511 8.834 1.00 0.00 C ATOM 953 CE LYS A 141 183.639 4.663 8.706 1.00 0.00 C ATOM 954 NZ LYS A 141 183.213 5.657 9.729 1.00 0.00 N ATOM 0 H LYS A 141 179.344 3.157 6.139 1.00 0.00 H new ATOM 0 HA LYS A 141 181.460 5.155 5.538 1.00 0.00 H new ATOM 0 HB2 LYS A 141 181.362 2.200 6.416 1.00 0.00 H new ATOM 0 HB3 LYS A 141 182.832 3.153 6.363 1.00 0.00 H new ATOM 0 HG2 LYS A 141 181.238 4.832 7.852 1.00 0.00 H new ATOM 0 HG3 LYS A 141 180.554 3.286 8.311 1.00 0.00 H new ATOM 0 HD2 LYS A 141 182.301 3.423 9.866 1.00 0.00 H new ATOM 0 HD3 LYS A 141 183.121 2.568 8.575 1.00 0.00 H new ATOM 0 HE2 LYS A 141 184.659 4.323 8.886 1.00 0.00 H new ATOM 0 HE3 LYS A 141 183.619 5.094 7.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 183.851 6.478 9.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 182.241 5.968 9.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 183.249 5.221 10.673 1.00 0.00 H new ATOM 968 N PHE A 142 180.912 2.626 3.546 1.00 0.00 N ATOM 969 CA PHE A 142 181.300 2.109 2.199 1.00 0.00 C ATOM 970 C PHE A 142 180.876 3.091 1.108 1.00 0.00 C ATOM 971 O PHE A 142 181.494 3.173 0.066 1.00 0.00 O ATOM 972 CB PHE A 142 180.579 0.769 2.046 1.00 0.00 C ATOM 973 CG PHE A 142 181.127 0.030 0.850 1.00 0.00 C ATOM 974 CD1 PHE A 142 182.498 -0.239 0.760 1.00 0.00 C ATOM 975 CD2 PHE A 142 180.263 -0.391 -0.169 1.00 0.00 C ATOM 976 CE1 PHE A 142 183.005 -0.928 -0.348 1.00 0.00 C ATOM 977 CE2 PHE A 142 180.771 -1.081 -1.277 1.00 0.00 C ATOM 978 CZ PHE A 142 182.142 -1.350 -1.367 1.00 0.00 C ATOM 0 H PHE A 142 180.154 2.120 4.004 1.00 0.00 H new ATOM 0 HA PHE A 142 182.379 1.989 2.105 1.00 0.00 H new ATOM 0 HB2 PHE A 142 180.710 0.170 2.947 1.00 0.00 H new ATOM 0 HB3 PHE A 142 179.508 0.933 1.925 1.00 0.00 H new ATOM 0 HD1 PHE A 142 183.165 0.085 1.546 1.00 0.00 H new ATOM 0 HD2 PHE A 142 179.205 -0.184 -0.100 1.00 0.00 H new ATOM 0 HE1 PHE A 142 184.063 -1.134 -0.417 1.00 0.00 H new ATOM 0 HE2 PHE A 142 180.105 -1.406 -2.062 1.00 0.00 H new ATOM 0 HZ PHE A 142 182.534 -1.882 -2.221 1.00 0.00 H new ATOM 988 N ILE A 143 179.831 3.835 1.342 1.00 0.00 N ATOM 989 CA ILE A 143 179.361 4.822 0.326 1.00 0.00 C ATOM 990 C ILE A 143 180.156 6.129 0.445 1.00 0.00 C ATOM 991 O ILE A 143 180.664 6.644 -0.533 1.00 0.00 O ATOM 992 CB ILE A 143 177.882 5.047 0.657 1.00 0.00 C ATOM 993 CG1 ILE A 143 177.118 3.727 0.525 1.00 0.00 C ATOM 994 CG2 ILE A 143 177.283 6.071 -0.305 1.00 0.00 C ATOM 995 CD1 ILE A 143 175.707 3.893 1.092 1.00 0.00 C ATOM 0 H ILE A 143 179.278 3.802 2.198 1.00 0.00 H new ATOM 0 HA ILE A 143 179.500 4.468 -0.696 1.00 0.00 H new ATOM 0 HB ILE A 143 177.801 5.418 1.679 1.00 0.00 H new ATOM 0 HG12 ILE A 143 177.067 3.427 -0.522 1.00 0.00 H new ATOM 0 HG13 ILE A 143 177.644 2.935 1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 143 176.231 6.226 -0.063 1.00 0.00 H new ATOM 0 HG22 ILE A 143 177.819 7.015 -0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 143 177.370 5.704 -1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 143 175.164 2.953 0.997 1.00 0.00 H new ATOM 0 HD12 ILE A 143 175.768 4.173 2.144 1.00 0.00 H new ATOM 0 HD13 ILE A 143 175.182 4.672 0.539 1.00 0.00 H new ATOM 1007 N GLU A 144 180.262 6.665 1.631 1.00 0.00 N ATOM 1008 CA GLU A 144 181.020 7.942 1.823 1.00 0.00 C ATOM 1009 C GLU A 144 182.498 7.763 1.460 1.00 0.00 C ATOM 1010 O GLU A 144 183.160 8.714 1.089 1.00 0.00 O ATOM 1011 CB GLU A 144 180.881 8.269 3.310 1.00 0.00 C ATOM 1012 CG GLU A 144 179.436 8.666 3.616 1.00 0.00 C ATOM 1013 CD GLU A 144 179.291 8.984 5.108 1.00 0.00 C ATOM 1014 OE1 GLU A 144 180.261 9.431 5.699 1.00 0.00 O ATOM 1015 OE2 GLU A 144 178.210 8.772 5.635 1.00 0.00 O ATOM 0 H GLU A 144 179.855 6.274 2.481 1.00 0.00 H new ATOM 0 HA GLU A 144 180.634 8.736 1.184 1.00 0.00 H new ATOM 0 HB2 GLU A 144 181.166 7.405 3.911 1.00 0.00 H new ATOM 0 HB3 GLU A 144 181.556 9.081 3.579 1.00 0.00 H new ATOM 0 HG2 GLU A 144 179.154 9.534 3.020 1.00 0.00 H new ATOM 0 HG3 GLU A 144 178.760 7.857 3.340 1.00 0.00 H new ATOM 1022 N ASP A 145 183.022 6.567 1.558 1.00 0.00 N ATOM 1023 CA ASP A 145 184.461 6.359 1.209 1.00 0.00 C ATOM 1024 C ASP A 145 184.625 6.039 -0.285 1.00 0.00 C ATOM 1025 O ASP A 145 185.709 6.155 -0.825 1.00 0.00 O ATOM 1026 CB ASP A 145 184.947 5.207 2.088 1.00 0.00 C ATOM 1027 CG ASP A 145 186.474 5.228 2.161 1.00 0.00 C ATOM 1028 OD1 ASP A 145 187.100 4.955 1.150 1.00 0.00 O ATOM 1029 OD2 ASP A 145 186.993 5.518 3.227 1.00 0.00 O ATOM 0 H ASP A 145 182.521 5.732 1.862 1.00 0.00 H new ATOM 0 HA ASP A 145 185.049 7.259 1.388 1.00 0.00 H new ATOM 0 HB2 ASP A 145 184.524 5.296 3.088 1.00 0.00 H new ATOM 0 HB3 ASP A 145 184.605 4.256 1.680 1.00 0.00 H new ATOM 1034 N VAL A 146 183.563 5.678 -0.968 1.00 0.00 N ATOM 1035 CA VAL A 146 183.676 5.401 -2.435 1.00 0.00 C ATOM 1036 C VAL A 146 183.258 6.661 -3.208 1.00 0.00 C ATOM 1037 O VAL A 146 183.874 7.043 -4.184 1.00 0.00 O ATOM 1038 CB VAL A 146 182.719 4.230 -2.702 1.00 0.00 C ATOM 1039 CG1 VAL A 146 182.621 3.958 -4.208 1.00 0.00 C ATOM 1040 CG2 VAL A 146 183.253 2.978 -2.004 1.00 0.00 C ATOM 0 H VAL A 146 182.629 5.564 -0.575 1.00 0.00 H new ATOM 0 HA VAL A 146 184.688 5.148 -2.751 1.00 0.00 H new ATOM 0 HB VAL A 146 181.731 4.484 -2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 146 181.940 3.126 -4.384 1.00 0.00 H new ATOM 0 HG12 VAL A 146 182.246 4.847 -4.715 1.00 0.00 H new ATOM 0 HG13 VAL A 146 183.608 3.708 -4.597 1.00 0.00 H new ATOM 0 HG21 VAL A 146 182.578 2.142 -2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 146 184.243 2.739 -2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 146 183.319 3.160 -0.931 1.00 0.00 H new ATOM 1050 N LEU A 147 182.213 7.304 -2.757 1.00 0.00 N ATOM 1051 CA LEU A 147 181.726 8.550 -3.430 1.00 0.00 C ATOM 1052 C LEU A 147 182.763 9.679 -3.351 1.00 0.00 C ATOM 1053 O LEU A 147 182.675 10.654 -4.073 1.00 0.00 O ATOM 1054 CB LEU A 147 180.448 8.944 -2.675 1.00 0.00 C ATOM 1055 CG LEU A 147 179.209 8.356 -3.372 1.00 0.00 C ATOM 1056 CD1 LEU A 147 179.091 8.915 -4.798 1.00 0.00 C ATOM 1057 CD2 LEU A 147 179.317 6.825 -3.420 1.00 0.00 C ATOM 0 H LEU A 147 181.669 7.018 -1.943 1.00 0.00 H new ATOM 0 HA LEU A 147 181.546 8.379 -4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 147 180.500 8.584 -1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 147 180.366 10.030 -2.629 1.00 0.00 H new ATOM 0 HG LEU A 147 178.319 8.635 -2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 147 178.211 8.493 -5.283 1.00 0.00 H new ATOM 0 HD12 LEU A 147 178.997 10.000 -4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 147 179.982 8.649 -5.368 1.00 0.00 H new ATOM 0 HD21 LEU A 147 178.437 6.414 -3.915 1.00 0.00 H new ATOM 0 HD22 LEU A 147 180.211 6.541 -3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 147 179.379 6.433 -2.405 1.00 0.00 H new ATOM 1069 N ARG A 148 183.746 9.554 -2.492 1.00 0.00 N ATOM 1070 CA ARG A 148 184.791 10.622 -2.383 1.00 0.00 C ATOM 1071 C ARG A 148 185.511 10.790 -3.724 1.00 0.00 C ATOM 1072 O ARG A 148 185.963 11.866 -4.065 1.00 0.00 O ATOM 1073 CB ARG A 148 185.770 10.122 -1.319 1.00 0.00 C ATOM 1074 CG ARG A 148 185.363 10.670 0.050 1.00 0.00 C ATOM 1075 CD ARG A 148 186.240 10.039 1.135 1.00 0.00 C ATOM 1076 NE ARG A 148 185.959 10.833 2.363 1.00 0.00 N ATOM 1077 CZ ARG A 148 186.878 11.618 2.856 1.00 0.00 C ATOM 1078 NH1 ARG A 148 187.953 11.109 3.392 1.00 0.00 N ATOM 1079 NH2 ARG A 148 186.722 12.913 2.811 1.00 0.00 N ATOM 0 H ARG A 148 183.870 8.761 -1.863 1.00 0.00 H new ATOM 0 HA ARG A 148 184.362 11.589 -2.120 1.00 0.00 H new ATOM 0 HB2 ARG A 148 185.776 9.032 -1.299 1.00 0.00 H new ATOM 0 HB3 ARG A 148 186.783 10.442 -1.563 1.00 0.00 H new ATOM 0 HG2 ARG A 148 185.471 11.755 0.066 1.00 0.00 H new ATOM 0 HG3 ARG A 148 184.313 10.451 0.243 1.00 0.00 H new ATOM 0 HD2 ARG A 148 185.994 8.987 1.280 1.00 0.00 H new ATOM 0 HD3 ARG A 148 187.295 10.086 0.867 1.00 0.00 H new ATOM 0 HE ARG A 148 185.049 10.764 2.819 1.00 0.00 H new ATOM 0 HH11 ARG A 148 188.076 10.097 3.426 1.00 0.00 H new ATOM 0 HH12 ARG A 148 188.671 11.723 3.777 1.00 0.00 H new ATOM 0 HH21 ARG A 148 185.882 13.311 2.391 1.00 0.00 H new ATOM 0 HH22 ARG A 148 187.440 13.527 3.196 1.00 0.00 H new ATOM 1093 N GLN A 149 185.620 9.728 -4.490 1.00 0.00 N ATOM 1094 CA GLN A 149 186.311 9.805 -5.820 1.00 0.00 C ATOM 1095 C GLN A 149 187.712 10.410 -5.672 1.00 0.00 C ATOM 1096 O GLN A 149 188.149 10.575 -4.544 1.00 0.00 O ATOM 1097 CB GLN A 149 185.427 10.706 -6.688 1.00 0.00 C ATOM 1098 CG GLN A 149 184.081 10.020 -6.934 1.00 0.00 C ATOM 1099 CD GLN A 149 184.274 8.846 -7.894 1.00 0.00 C ATOM 1100 OE1 GLN A 149 184.547 9.040 -9.063 1.00 0.00 O ATOM 1101 NE2 GLN A 149 184.143 7.626 -7.450 1.00 0.00 N ATOM 1102 OXT GLN A 149 188.323 10.697 -6.687 1.00 0.00 O ATOM 0 H GLN A 149 185.258 8.805 -4.249 1.00 0.00 H new ATOM 0 HA GLN A 149 186.442 8.817 -6.261 1.00 0.00 H new ATOM 0 HB2 GLN A 149 185.273 11.666 -6.195 1.00 0.00 H new ATOM 0 HB3 GLN A 149 185.921 10.911 -7.638 1.00 0.00 H new ATOM 0 HG2 GLN A 149 183.663 9.667 -5.991 1.00 0.00 H new ATOM 0 HG3 GLN A 149 183.369 10.732 -7.352 1.00 0.00 H new ATOM 0 HE21 GLN A 149 183.914 7.462 -6.470 1.00 0.00 H new ATOM 0 HE22 GLN A 149 184.270 6.836 -8.083 1.00 0.00 H new TER 1111 GLN A 149