USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 790 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 Set 1.1: A 7 THR OG1 : rot 160:sc= 0.0124 USER MOD Set 1.2: A 9 GLN : amide:sc= 0.0136 K(o=0.026,f=-2.8!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00236 USER MOD Single : A 15 THR OG1 : rot -81:sc= 1.33 USER MOD Single : A 16 SER OG : rot 65:sc= 1.31 USER MOD Single : A 33 LYS NZ :NH3+ 167:sc= 1.69 (180deg=1.27) USER MOD Single : A 34 MET CE :methyl -157:sc= -0.114 (180deg=-0.451) USER MOD Single : A 44 GLN : amide:sc= 0.256 X(o=0.26,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 162:sc= 1.23 (180deg=1.14) USER MOD Single : A 51 LYS NZ :NH3+ -169:sc= 3.61 (180deg=3.56) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.314! C(o=0.31!,f=-4.7!) USER MOD Single : A 61 GLN : amide:sc= 1.1 K(o=1.1,f=-0.051) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0437 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -141:sc= 0.109 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 106:sc= 1.2 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 1.23 (180deg=1.23) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 10:sc= 0.606 USER MOD Single : A 91 LYS NZ :NH3+ -138:sc= 2.19 (180deg=0.241) USER MOD Single : A 93 LYS NZ :NH3+ -154:sc= 1.26 (180deg=1.07) USER MOD Single : A 97 GLN : amide:sc= 0.563 K(o=0.56,f=0) USER MOD Single : A 101 ASN : amide:sc=-0.00369 X(o=-0.0037,f=-0.24) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HE2:sc= -0.203 K(o=-0.2,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 30 N ILE A 3 6.148 2.188 0.829 1.00 0.00 N ATOM 31 CA ILE A 3 7.065 2.618 1.881 1.00 0.00 C ATOM 32 C ILE A 3 6.495 3.923 2.459 1.00 0.00 C ATOM 33 O ILE A 3 5.896 4.727 1.737 1.00 0.00 O ATOM 34 CB ILE A 3 8.489 2.809 1.310 1.00 0.00 C ATOM 35 CG1 ILE A 3 9.054 1.480 0.752 1.00 0.00 C ATOM 36 CG2 ILE A 3 9.488 3.356 2.348 1.00 0.00 C ATOM 37 CD1 ILE A 3 9.784 1.705 -0.569 1.00 0.00 C ATOM 0 HA ILE A 3 7.151 1.869 2.669 1.00 0.00 H new ATOM 0 HB ILE A 3 8.381 3.543 0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.737 1.038 1.478 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.241 0.769 0.605 1.00 0.00 H new ATOM 0 HG21 ILE A 3 10.469 3.468 1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 3 9.144 4.326 2.708 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.559 2.662 3.186 1.00 0.00 H new ATOM 0 HD11 ILE A 3 10.170 0.755 -0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 3 9.092 2.124 -1.300 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.611 2.397 -0.414 1.00 0.00 H new ATOM 49 N VAL A 4 6.709 4.144 3.752 1.00 0.00 N ATOM 50 CA VAL A 4 6.189 5.258 4.530 1.00 0.00 C ATOM 51 C VAL A 4 7.329 5.736 5.442 1.00 0.00 C ATOM 52 O VAL A 4 8.295 5.006 5.690 1.00 0.00 O ATOM 53 CB VAL A 4 4.935 4.789 5.319 1.00 0.00 C ATOM 54 CG1 VAL A 4 4.170 5.937 5.997 1.00 0.00 C ATOM 55 CG2 VAL A 4 3.918 4.039 4.440 1.00 0.00 C ATOM 0 H VAL A 4 7.282 3.515 4.314 1.00 0.00 H new ATOM 0 HA VAL A 4 5.867 6.091 3.906 1.00 0.00 H new ATOM 0 HB VAL A 4 5.352 4.123 6.075 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.307 5.535 6.529 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.827 6.445 6.703 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.832 6.646 5.241 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.065 3.737 5.048 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.578 4.694 3.637 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.390 3.154 4.012 1.00 0.00 H new ATOM 65 N LYS A 5 7.209 6.954 5.965 1.00 0.00 N ATOM 66 CA LYS A 5 8.101 7.535 6.965 1.00 0.00 C ATOM 67 C LYS A 5 7.249 7.762 8.206 1.00 0.00 C ATOM 68 O LYS A 5 6.086 8.157 8.081 1.00 0.00 O ATOM 69 CB LYS A 5 8.645 8.866 6.431 1.00 0.00 C ATOM 70 CG LYS A 5 9.716 9.549 7.300 1.00 0.00 C ATOM 71 CD LYS A 5 11.072 8.828 7.330 1.00 0.00 C ATOM 72 CE LYS A 5 11.665 8.542 5.937 1.00 0.00 C ATOM 73 NZ LYS A 5 11.936 9.774 5.147 1.00 0.00 N ATOM 0 H LYS A 5 6.458 7.588 5.693 1.00 0.00 H new ATOM 0 HA LYS A 5 8.950 6.890 7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.064 8.694 5.440 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.810 9.555 6.309 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.868 10.565 6.935 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.340 9.630 8.320 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.780 9.432 7.897 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.958 7.885 7.865 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.593 7.982 6.053 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.976 7.906 5.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.333 9.513 4.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.049 10.299 5.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.615 10.372 5.659 1.00 0.00 H new ATOM 87 N ALA A 6 7.809 7.535 9.386 1.00 0.00 N ATOM 88 CA ALA A 6 7.088 7.664 10.646 1.00 0.00 C ATOM 89 C ALA A 6 8.009 8.160 11.756 1.00 0.00 C ATOM 90 O ALA A 6 9.236 8.117 11.640 1.00 0.00 O ATOM 91 CB ALA A 6 6.477 6.310 11.035 1.00 0.00 C ATOM 0 H ALA A 6 8.783 7.254 9.497 1.00 0.00 H new ATOM 0 HA ALA A 6 6.292 8.397 10.514 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.939 6.411 11.978 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.787 5.985 10.256 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.271 5.572 11.148 1.00 0.00 H new ATOM 97 N THR A 7 7.383 8.574 12.851 1.00 0.00 N ATOM 98 CA THR A 7 8.000 8.918 14.119 1.00 0.00 C ATOM 99 C THR A 7 7.164 8.280 15.227 1.00 0.00 C ATOM 100 O THR A 7 6.070 7.768 14.970 1.00 0.00 O ATOM 101 CB THR A 7 8.049 10.448 14.290 1.00 0.00 C ATOM 102 OG1 THR A 7 6.774 11.020 14.058 1.00 0.00 O ATOM 103 CG2 THR A 7 9.050 11.100 13.334 1.00 0.00 C ATOM 0 H THR A 7 6.369 8.684 12.875 1.00 0.00 H new ATOM 0 HA THR A 7 9.025 8.549 14.160 1.00 0.00 H new ATOM 0 HB THR A 7 8.366 10.634 15.316 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.734 11.908 14.471 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.052 12.179 13.489 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.047 10.704 13.526 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.765 10.882 12.305 1.00 0.00 H new ATOM 111 N ASP A 8 7.627 8.379 16.472 1.00 0.00 N ATOM 112 CA ASP A 8 6.906 7.942 17.671 1.00 0.00 C ATOM 113 C ASP A 8 5.454 8.443 17.719 1.00 0.00 C ATOM 114 O ASP A 8 4.577 7.768 18.258 1.00 0.00 O ATOM 115 CB ASP A 8 7.649 8.435 18.917 1.00 0.00 C ATOM 116 CG ASP A 8 6.894 8.074 20.208 1.00 0.00 C ATOM 117 OD1 ASP A 8 6.854 6.883 20.589 1.00 0.00 O ATOM 118 OD2 ASP A 8 6.356 8.993 20.867 1.00 0.00 O ATOM 0 H ASP A 8 8.542 8.777 16.683 1.00 0.00 H new ATOM 0 HA ASP A 8 6.869 6.853 17.641 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.646 7.996 18.944 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.778 9.516 18.860 1.00 0.00 H new ATOM 123 N GLN A 9 5.195 9.608 17.116 1.00 0.00 N ATOM 124 CA GLN A 9 3.880 10.235 17.033 1.00 0.00 C ATOM 125 C GLN A 9 2.838 9.356 16.324 1.00 0.00 C ATOM 126 O GLN A 9 1.650 9.456 16.641 1.00 0.00 O ATOM 127 CB GLN A 9 4.000 11.574 16.285 1.00 0.00 C ATOM 128 CG GLN A 9 4.952 12.578 16.957 1.00 0.00 C ATOM 129 CD GLN A 9 5.084 13.854 16.126 1.00 0.00 C ATOM 130 OE1 GLN A 9 5.952 13.965 15.263 1.00 0.00 O ATOM 131 NE2 GLN A 9 4.233 14.843 16.354 1.00 0.00 N ATOM 0 H GLN A 9 5.923 10.156 16.658 1.00 0.00 H new ATOM 0 HA GLN A 9 3.534 10.386 18.056 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.347 11.382 15.270 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.011 12.024 16.204 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.581 12.825 17.952 1.00 0.00 H new ATOM 0 HG3 GLN A 9 5.933 12.122 17.087 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.515 14.743 17.072 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.295 15.705 15.812 1.00 0.00 H new ATOM 140 N SER A 10 3.263 8.508 15.380 1.00 0.00 N ATOM 141 CA SER A 10 2.361 7.783 14.477 1.00 0.00 C ATOM 142 C SER A 10 2.795 6.339 14.189 1.00 0.00 C ATOM 143 O SER A 10 2.034 5.599 13.567 1.00 0.00 O ATOM 144 CB SER A 10 2.242 8.561 13.155 1.00 0.00 C ATOM 145 OG SER A 10 1.932 9.934 13.363 1.00 0.00 O ATOM 0 H SER A 10 4.250 8.304 15.220 1.00 0.00 H new ATOM 0 HA SER A 10 1.398 7.714 14.984 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.179 8.482 12.604 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.469 8.106 12.536 1.00 0.00 H new ATOM 0 HG SER A 10 1.868 10.390 12.498 1.00 0.00 H new ATOM 151 N PHE A 11 3.981 5.914 14.637 1.00 0.00 N ATOM 152 CA PHE A 11 4.549 4.604 14.329 1.00 0.00 C ATOM 153 C PHE A 11 3.583 3.470 14.679 1.00 0.00 C ATOM 154 O PHE A 11 3.388 2.554 13.878 1.00 0.00 O ATOM 155 CB PHE A 11 5.881 4.453 15.078 1.00 0.00 C ATOM 156 CG PHE A 11 6.621 3.169 14.769 1.00 0.00 C ATOM 157 CD1 PHE A 11 7.400 3.083 13.601 1.00 0.00 C ATOM 158 CD2 PHE A 11 6.536 2.066 15.639 1.00 0.00 C ATOM 159 CE1 PHE A 11 8.099 1.902 13.308 1.00 0.00 C ATOM 160 CE2 PHE A 11 7.232 0.882 15.340 1.00 0.00 C ATOM 161 CZ PHE A 11 8.014 0.800 14.177 1.00 0.00 C ATOM 0 H PHE A 11 4.581 6.483 15.234 1.00 0.00 H new ATOM 0 HA PHE A 11 4.726 4.538 13.255 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.523 5.298 14.830 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.690 4.501 16.150 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.460 3.926 12.929 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.937 2.129 16.535 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.703 1.840 12.415 1.00 0.00 H new ATOM 0 HE2 PHE A 11 7.165 0.034 16.006 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.550 -0.110 13.950 1.00 0.00 H new ATOM 171 N SER A 12 2.935 3.544 15.843 1.00 0.00 N ATOM 172 CA SER A 12 2.002 2.523 16.300 1.00 0.00 C ATOM 173 C SER A 12 0.788 2.408 15.374 1.00 0.00 C ATOM 174 O SER A 12 0.330 1.302 15.086 1.00 0.00 O ATOM 175 CB SER A 12 1.575 2.836 17.739 1.00 0.00 C ATOM 176 OG SER A 12 2.703 3.168 18.539 1.00 0.00 O ATOM 0 H SER A 12 3.046 4.320 16.496 1.00 0.00 H new ATOM 0 HA SER A 12 2.504 1.556 16.277 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.866 3.664 17.741 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.061 1.975 18.166 1.00 0.00 H new ATOM 0 HG SER A 12 2.409 3.366 19.453 1.00 0.00 H new ATOM 182 N ALA A 13 0.282 3.537 14.872 1.00 0.00 N ATOM 183 CA ALA A 13 -0.834 3.547 13.942 1.00 0.00 C ATOM 184 C ALA A 13 -0.405 2.944 12.607 1.00 0.00 C ATOM 185 O ALA A 13 -1.120 2.115 12.043 1.00 0.00 O ATOM 186 CB ALA A 13 -1.367 4.973 13.761 1.00 0.00 C ATOM 0 H ALA A 13 0.638 4.465 15.102 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.642 2.939 14.348 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.203 4.963 13.061 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.703 5.360 14.723 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.574 5.611 13.370 1.00 0.00 H new ATOM 192 N GLU A 14 0.777 3.327 12.118 1.00 0.00 N ATOM 193 CA GLU A 14 1.285 2.846 10.842 1.00 0.00 C ATOM 194 C GLU A 14 1.504 1.333 10.875 1.00 0.00 C ATOM 195 O GLU A 14 1.226 0.657 9.885 1.00 0.00 O ATOM 196 CB GLU A 14 2.581 3.575 10.436 1.00 0.00 C ATOM 197 CG GLU A 14 2.366 5.032 9.989 1.00 0.00 C ATOM 198 CD GLU A 14 1.381 5.194 8.812 1.00 0.00 C ATOM 199 OE1 GLU A 14 1.195 4.236 8.026 1.00 0.00 O ATOM 200 OE2 GLU A 14 0.783 6.286 8.676 1.00 0.00 O ATOM 0 H GLU A 14 1.402 3.976 12.596 1.00 0.00 H new ATOM 0 HA GLU A 14 0.530 3.067 10.087 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.272 3.563 11.279 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.057 3.024 9.625 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.999 5.610 10.837 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.328 5.459 9.705 1.00 0.00 H new ATOM 207 N THR A 15 1.947 0.789 12.008 1.00 0.00 N ATOM 208 CA THR A 15 2.248 -0.623 12.169 1.00 0.00 C ATOM 209 C THR A 15 1.011 -1.478 12.474 1.00 0.00 C ATOM 210 O THR A 15 1.135 -2.698 12.599 1.00 0.00 O ATOM 211 CB THR A 15 3.383 -0.787 13.192 1.00 0.00 C ATOM 212 OG1 THR A 15 3.135 -0.080 14.386 1.00 0.00 O ATOM 213 CG2 THR A 15 4.719 -0.296 12.618 1.00 0.00 C ATOM 0 H THR A 15 2.108 1.334 12.855 1.00 0.00 H new ATOM 0 HA THR A 15 2.597 -1.014 11.213 1.00 0.00 H new ATOM 0 HB THR A 15 3.434 -1.853 13.413 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.377 0.862 14.265 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.504 -0.424 13.363 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.967 -0.874 11.727 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.636 0.759 12.355 1.00 0.00 H new ATOM 221 N SER A 16 -0.186 -0.881 12.537 1.00 0.00 N ATOM 222 CA SER A 16 -1.426 -1.565 12.886 1.00 0.00 C ATOM 223 C SER A 16 -2.272 -1.879 11.643 1.00 0.00 C ATOM 224 O SER A 16 -3.501 -1.908 11.710 1.00 0.00 O ATOM 225 CB SER A 16 -2.188 -0.754 13.945 1.00 0.00 C ATOM 226 OG SER A 16 -1.445 -0.662 15.146 1.00 0.00 O ATOM 0 H SER A 16 -0.316 0.112 12.342 1.00 0.00 H new ATOM 0 HA SER A 16 -1.186 -2.533 13.325 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.394 0.246 13.563 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.151 -1.224 14.144 1.00 0.00 H new ATOM 0 HG SER A 16 -0.623 -0.154 14.984 1.00 0.00 H new ATOM 232 N GLU A 17 -1.618 -2.113 10.502 1.00 0.00 N ATOM 233 CA GLU A 17 -2.271 -2.390 9.221 1.00 0.00 C ATOM 234 C GLU A 17 -1.623 -3.608 8.548 1.00 0.00 C ATOM 235 O GLU A 17 -1.040 -3.509 7.467 1.00 0.00 O ATOM 236 CB GLU A 17 -2.303 -1.130 8.332 1.00 0.00 C ATOM 237 CG GLU A 17 -3.177 -0.014 8.926 1.00 0.00 C ATOM 238 CD GLU A 17 -3.458 1.097 7.901 1.00 0.00 C ATOM 239 OE1 GLU A 17 -2.502 1.783 7.475 1.00 0.00 O ATOM 240 OE2 GLU A 17 -4.635 1.299 7.521 1.00 0.00 O ATOM 0 H GLU A 17 -0.600 -2.115 10.442 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.315 -2.652 9.393 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.287 -0.759 8.197 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.680 -1.395 7.344 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.120 -0.436 9.272 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.680 0.412 9.797 1.00 0.00 H new ATOM 247 N GLY A 18 -1.709 -4.768 9.211 1.00 0.00 N ATOM 248 CA GLY A 18 -1.220 -6.038 8.686 1.00 0.00 C ATOM 249 C GLY A 18 0.219 -6.261 9.127 1.00 0.00 C ATOM 250 O GLY A 18 0.642 -5.731 10.159 1.00 0.00 O ATOM 0 H GLY A 18 -2.126 -4.846 10.138 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.849 -6.854 9.041 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.280 -6.039 7.598 1.00 0.00 H new ATOM 254 N VAL A 19 0.959 -7.077 8.375 1.00 0.00 N ATOM 255 CA VAL A 19 2.406 -7.178 8.542 1.00 0.00 C ATOM 256 C VAL A 19 2.997 -5.867 8.020 1.00 0.00 C ATOM 257 O VAL A 19 2.629 -5.387 6.942 1.00 0.00 O ATOM 258 CB VAL A 19 2.983 -8.409 7.809 1.00 0.00 C ATOM 259 CG1 VAL A 19 4.516 -8.492 7.946 1.00 0.00 C ATOM 260 CG2 VAL A 19 2.388 -9.708 8.375 1.00 0.00 C ATOM 0 H VAL A 19 0.578 -7.677 7.644 1.00 0.00 H new ATOM 0 HA VAL A 19 2.667 -7.324 9.590 1.00 0.00 H new ATOM 0 HB VAL A 19 2.719 -8.294 6.758 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.882 -9.372 7.416 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.968 -7.597 7.519 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.784 -8.566 9.000 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.808 -10.562 7.844 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.628 -9.786 9.435 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.306 -9.698 8.247 1.00 0.00 H new ATOM 270 N VAL A 20 3.937 -5.306 8.771 1.00 0.00 N ATOM 271 CA VAL A 20 4.631 -4.070 8.462 1.00 0.00 C ATOM 272 C VAL A 20 6.099 -4.323 8.801 1.00 0.00 C ATOM 273 O VAL A 20 6.396 -5.021 9.771 1.00 0.00 O ATOM 274 CB VAL A 20 4.006 -2.910 9.271 1.00 0.00 C ATOM 275 CG1 VAL A 20 4.675 -1.566 8.942 1.00 0.00 C ATOM 276 CG2 VAL A 20 2.492 -2.789 8.994 1.00 0.00 C ATOM 0 H VAL A 20 4.247 -5.721 9.650 1.00 0.00 H new ATOM 0 HA VAL A 20 4.545 -3.778 7.415 1.00 0.00 H new ATOM 0 HB VAL A 20 4.168 -3.143 10.323 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.210 -0.774 9.529 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.737 -1.620 9.182 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.554 -1.349 7.881 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.080 -1.965 9.577 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.330 -2.599 7.933 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.995 -3.717 9.277 1.00 0.00 H new ATOM 286 N LEU A 21 7.021 -3.779 8.010 1.00 0.00 N ATOM 287 CA LEU A 21 8.450 -4.000 8.181 1.00 0.00 C ATOM 288 C LEU A 21 9.081 -2.624 8.348 1.00 0.00 C ATOM 289 O LEU A 21 9.207 -1.847 7.399 1.00 0.00 O ATOM 290 CB LEU A 21 8.981 -4.848 7.011 1.00 0.00 C ATOM 291 CG LEU A 21 10.356 -5.491 7.268 1.00 0.00 C ATOM 292 CD1 LEU A 21 10.728 -6.381 6.077 1.00 0.00 C ATOM 293 CD2 LEU A 21 11.485 -4.483 7.501 1.00 0.00 C ATOM 0 H LEU A 21 6.792 -3.167 7.226 1.00 0.00 H new ATOM 0 HA LEU A 21 8.706 -4.582 9.066 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.260 -5.635 6.792 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.047 -4.220 6.123 1.00 0.00 H new ATOM 0 HG LEU A 21 10.255 -6.066 8.188 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.701 -6.839 6.255 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.977 -7.161 5.957 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.771 -5.777 5.171 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.419 -5.017 7.674 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.589 -3.844 6.624 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.251 -3.869 8.371 1.00 0.00 H new ATOM 305 N ALA A 22 9.372 -2.273 9.595 1.00 0.00 N ATOM 306 CA ALA A 22 9.957 -1.000 9.941 1.00 0.00 C ATOM 307 C ALA A 22 11.468 -1.070 9.753 1.00 0.00 C ATOM 308 O ALA A 22 12.077 -2.098 10.046 1.00 0.00 O ATOM 309 CB ALA A 22 9.618 -0.670 11.388 1.00 0.00 C ATOM 0 H ALA A 22 9.203 -2.878 10.399 1.00 0.00 H new ATOM 0 HA ALA A 22 9.558 -0.218 9.295 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.058 0.291 11.655 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.536 -0.619 11.506 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.018 -1.446 12.041 1.00 0.00 H new ATOM 315 N ASP A 23 12.068 0.044 9.344 1.00 0.00 N ATOM 316 CA ASP A 23 13.487 0.191 9.048 1.00 0.00 C ATOM 317 C ASP A 23 14.014 1.336 9.905 1.00 0.00 C ATOM 318 O ASP A 23 13.856 2.517 9.583 1.00 0.00 O ATOM 319 CB ASP A 23 13.706 0.441 7.550 1.00 0.00 C ATOM 320 CG ASP A 23 15.160 0.855 7.247 1.00 0.00 C ATOM 321 OD1 ASP A 23 16.094 0.240 7.808 1.00 0.00 O ATOM 322 OD2 ASP A 23 15.357 1.765 6.411 1.00 0.00 O ATOM 0 H ASP A 23 11.550 0.912 9.203 1.00 0.00 H new ATOM 0 HA ASP A 23 14.032 -0.723 9.285 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.461 -0.462 6.991 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.027 1.222 7.208 1.00 0.00 H new ATOM 327 N PHE A 24 14.549 0.962 11.064 1.00 0.00 N ATOM 328 CA PHE A 24 15.204 1.850 12.002 1.00 0.00 C ATOM 329 C PHE A 24 16.553 2.190 11.382 1.00 0.00 C ATOM 330 O PHE A 24 17.407 1.308 11.217 1.00 0.00 O ATOM 331 CB PHE A 24 15.326 1.171 13.378 1.00 0.00 C ATOM 332 CG PHE A 24 14.004 1.087 14.126 1.00 0.00 C ATOM 333 CD1 PHE A 24 12.967 0.254 13.659 1.00 0.00 C ATOM 334 CD2 PHE A 24 13.780 1.892 15.261 1.00 0.00 C ATOM 335 CE1 PHE A 24 11.707 0.280 14.277 1.00 0.00 C ATOM 336 CE2 PHE A 24 12.516 1.920 15.873 1.00 0.00 C ATOM 337 CZ PHE A 24 11.470 1.134 15.364 1.00 0.00 C ATOM 0 H PHE A 24 14.534 -0.007 11.382 1.00 0.00 H new ATOM 0 HA PHE A 24 14.639 2.765 12.179 1.00 0.00 H new ATOM 0 HB2 PHE A 24 15.725 0.165 13.245 1.00 0.00 H new ATOM 0 HB3 PHE A 24 16.045 1.722 13.985 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.143 -0.407 12.823 1.00 0.00 H new ATOM 0 HD2 PHE A 24 14.584 2.490 15.662 1.00 0.00 H new ATOM 0 HE1 PHE A 24 10.917 -0.360 13.914 1.00 0.00 H new ATOM 0 HE2 PHE A 24 12.349 2.547 16.736 1.00 0.00 H new ATOM 0 HZ PHE A 24 10.487 1.187 15.808 1.00 0.00 H new ATOM 347 N TRP A 25 16.712 3.459 11.005 1.00 0.00 N ATOM 348 CA TRP A 25 17.851 3.970 10.259 1.00 0.00 C ATOM 349 C TRP A 25 18.093 5.426 10.678 1.00 0.00 C ATOM 350 O TRP A 25 17.388 5.935 11.546 1.00 0.00 O ATOM 351 CB TRP A 25 17.605 3.787 8.743 1.00 0.00 C ATOM 352 CG TRP A 25 17.476 5.018 7.896 1.00 0.00 C ATOM 353 CD1 TRP A 25 18.432 5.526 7.084 1.00 0.00 C ATOM 354 CD2 TRP A 25 16.385 5.988 7.872 1.00 0.00 C ATOM 355 NE1 TRP A 25 17.963 6.681 6.492 1.00 0.00 N ATOM 356 CE2 TRP A 25 16.746 7.059 7.005 1.00 0.00 C ATOM 357 CE3 TRP A 25 15.155 6.101 8.545 1.00 0.00 C ATOM 358 CZ2 TRP A 25 15.941 8.192 6.827 1.00 0.00 C ATOM 359 CZ3 TRP A 25 14.339 7.238 8.388 1.00 0.00 C ATOM 360 CH2 TRP A 25 14.741 8.291 7.547 1.00 0.00 C ATOM 0 H TRP A 25 16.024 4.181 11.221 1.00 0.00 H new ATOM 0 HA TRP A 25 18.761 3.414 10.484 1.00 0.00 H new ATOM 0 HB2 TRP A 25 18.424 3.190 8.342 1.00 0.00 H new ATOM 0 HB3 TRP A 25 16.694 3.201 8.621 1.00 0.00 H new ATOM 0 HD1 TRP A 25 19.409 5.095 6.924 1.00 0.00 H new ATOM 0 HE1 TRP A 25 18.460 7.192 5.762 1.00 0.00 H new ATOM 0 HE3 TRP A 25 14.830 5.301 9.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 16.239 8.976 6.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 13.399 7.302 8.916 1.00 0.00 H new ATOM 0 HH2 TRP A 25 14.127 9.175 7.456 1.00 0.00 H new ATOM 371 N ALA A 26 19.085 6.096 10.094 1.00 0.00 N ATOM 372 CA ALA A 26 19.285 7.537 10.191 1.00 0.00 C ATOM 373 C ALA A 26 20.144 7.937 8.988 1.00 0.00 C ATOM 374 O ALA A 26 20.987 7.133 8.586 1.00 0.00 O ATOM 375 CB ALA A 26 20.015 7.883 11.489 1.00 0.00 C ATOM 0 H ALA A 26 19.793 5.634 9.523 1.00 0.00 H new ATOM 0 HA ALA A 26 18.332 8.066 10.194 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.158 8.962 11.549 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.423 7.547 12.340 1.00 0.00 H new ATOM 0 HB3 ALA A 26 20.985 7.387 11.504 1.00 0.00 H new ATOM 381 N PRO A 27 20.011 9.135 8.398 1.00 0.00 N ATOM 382 CA PRO A 27 20.810 9.508 7.235 1.00 0.00 C ATOM 383 C PRO A 27 22.328 9.581 7.454 1.00 0.00 C ATOM 384 O PRO A 27 23.053 9.649 6.462 1.00 0.00 O ATOM 385 CB PRO A 27 20.263 10.843 6.734 1.00 0.00 C ATOM 386 CG PRO A 27 18.856 10.910 7.328 1.00 0.00 C ATOM 387 CD PRO A 27 18.969 10.122 8.635 1.00 0.00 C ATOM 0 HA PRO A 27 20.710 8.708 6.501 1.00 0.00 H new ATOM 0 HB2 PRO A 27 20.878 11.678 7.069 1.00 0.00 H new ATOM 0 HB3 PRO A 27 20.239 10.882 5.645 1.00 0.00 H new ATOM 0 HG2 PRO A 27 18.547 11.940 7.508 1.00 0.00 H new ATOM 0 HG3 PRO A 27 18.118 10.468 6.658 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.228 10.776 9.468 1.00 0.00 H new ATOM 0 HD3 PRO A 27 18.023 9.643 8.889 1.00 0.00 H new ATOM 395 N TRP A 28 22.844 9.550 8.691 1.00 0.00 N ATOM 396 CA TRP A 28 24.289 9.423 8.906 1.00 0.00 C ATOM 397 C TRP A 28 24.799 8.020 8.540 1.00 0.00 C ATOM 398 O TRP A 28 26.001 7.836 8.337 1.00 0.00 O ATOM 399 CB TRP A 28 24.668 9.779 10.351 1.00 0.00 C ATOM 400 CG TRP A 28 24.173 8.868 11.437 1.00 0.00 C ATOM 401 CD1 TRP A 28 23.079 9.088 12.197 1.00 0.00 C ATOM 402 CD2 TRP A 28 24.738 7.607 11.925 1.00 0.00 C ATOM 403 NE1 TRP A 28 22.937 8.080 13.127 1.00 0.00 N ATOM 404 CE2 TRP A 28 23.916 7.121 12.988 1.00 0.00 C ATOM 405 CE3 TRP A 28 25.860 6.820 11.584 1.00 0.00 C ATOM 406 CZ2 TRP A 28 24.178 5.914 13.656 1.00 0.00 C ATOM 407 CZ3 TRP A 28 26.130 5.604 12.241 1.00 0.00 C ATOM 408 CH2 TRP A 28 25.290 5.148 13.272 1.00 0.00 C ATOM 0 H TRP A 28 22.290 9.610 9.545 1.00 0.00 H new ATOM 0 HA TRP A 28 24.776 10.135 8.240 1.00 0.00 H new ATOM 0 HB2 TRP A 28 25.755 9.820 10.414 1.00 0.00 H new ATOM 0 HB3 TRP A 28 24.299 10.783 10.559 1.00 0.00 H new ATOM 0 HD1 TRP A 28 22.412 9.931 12.092 1.00 0.00 H new ATOM 0 HE1 TRP A 28 22.199 8.048 13.830 1.00 0.00 H new ATOM 0 HE3 TRP A 28 26.525 7.158 10.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 23.533 5.579 14.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 26.989 5.017 11.951 1.00 0.00 H new ATOM 0 HH2 TRP A 28 25.500 4.211 13.767 1.00 0.00 H new ATOM 419 N CYS A 29 23.895 7.035 8.479 1.00 0.00 N ATOM 420 CA CYS A 29 24.187 5.642 8.195 1.00 0.00 C ATOM 421 C CYS A 29 24.815 5.479 6.802 1.00 0.00 C ATOM 422 O CYS A 29 24.657 6.336 5.932 1.00 0.00 O ATOM 423 CB CYS A 29 22.869 4.867 8.296 1.00 0.00 C ATOM 424 SG CYS A 29 23.004 3.063 8.350 1.00 0.00 S ATOM 0 H CYS A 29 22.901 7.203 8.634 1.00 0.00 H new ATOM 0 HA CYS A 29 24.912 5.255 8.911 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.345 5.198 9.192 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.246 5.138 7.444 1.00 0.00 H new ATOM 429 N GLY A 30 25.450 4.330 6.563 1.00 0.00 N ATOM 430 CA GLY A 30 25.957 3.923 5.254 1.00 0.00 C ATOM 431 C GLY A 30 25.302 2.615 4.803 1.00 0.00 C ATOM 432 O GLY A 30 24.594 2.629 3.796 1.00 0.00 O ATOM 0 H GLY A 30 25.630 3.641 7.293 1.00 0.00 H new ATOM 0 HA2 GLY A 30 25.759 4.706 4.522 1.00 0.00 H new ATOM 0 HA3 GLY A 30 27.039 3.797 5.301 1.00 0.00 H new ATOM 436 N PRO A 31 25.428 1.503 5.557 1.00 0.00 N ATOM 437 CA PRO A 31 24.822 0.213 5.216 1.00 0.00 C ATOM 438 C PRO A 31 23.309 0.277 4.968 1.00 0.00 C ATOM 439 O PRO A 31 22.790 -0.439 4.112 1.00 0.00 O ATOM 440 CB PRO A 31 25.170 -0.725 6.377 1.00 0.00 C ATOM 441 CG PRO A 31 26.465 -0.138 6.931 1.00 0.00 C ATOM 442 CD PRO A 31 26.269 1.364 6.737 1.00 0.00 C ATOM 0 HA PRO A 31 25.218 -0.143 4.265 1.00 0.00 H new ATOM 0 HB2 PRO A 31 24.382 -0.742 7.130 1.00 0.00 H new ATOM 0 HB3 PRO A 31 25.307 -1.751 6.037 1.00 0.00 H new ATOM 0 HG2 PRO A 31 26.608 -0.394 7.981 1.00 0.00 H new ATOM 0 HG3 PRO A 31 27.338 -0.505 6.391 1.00 0.00 H new ATOM 0 HD2 PRO A 31 25.796 1.813 7.610 1.00 0.00 H new ATOM 0 HD3 PRO A 31 27.225 1.869 6.598 1.00 0.00 H new ATOM 450 N CYS A 32 22.608 1.188 5.654 1.00 0.00 N ATOM 451 CA CYS A 32 21.187 1.468 5.454 1.00 0.00 C ATOM 452 C CYS A 32 20.862 1.754 3.985 1.00 0.00 C ATOM 453 O CYS A 32 19.822 1.346 3.474 1.00 0.00 O ATOM 454 CB CYS A 32 20.798 2.684 6.310 1.00 0.00 C ATOM 455 SG CYS A 32 21.070 2.511 8.098 1.00 0.00 S ATOM 0 H CYS A 32 23.028 1.765 6.383 1.00 0.00 H new ATOM 0 HA CYS A 32 20.619 0.587 5.752 1.00 0.00 H new ATOM 0 HB2 CYS A 32 21.362 3.548 5.958 1.00 0.00 H new ATOM 0 HB3 CYS A 32 19.743 2.901 6.141 1.00 0.00 H new ATOM 460 N LYS A 33 21.765 2.438 3.283 1.00 0.00 N ATOM 461 CA LYS A 33 21.551 2.872 1.912 1.00 0.00 C ATOM 462 C LYS A 33 21.869 1.745 0.928 1.00 0.00 C ATOM 463 O LYS A 33 21.449 1.827 -0.225 1.00 0.00 O ATOM 464 CB LYS A 33 22.362 4.154 1.651 1.00 0.00 C ATOM 465 CG LYS A 33 21.906 5.288 2.595 1.00 0.00 C ATOM 466 CD LYS A 33 22.913 6.436 2.665 1.00 0.00 C ATOM 467 CE LYS A 33 22.590 7.323 3.877 1.00 0.00 C ATOM 468 NZ LYS A 33 23.693 8.273 4.147 1.00 0.00 N ATOM 0 H LYS A 33 22.674 2.707 3.659 1.00 0.00 H new ATOM 0 HA LYS A 33 20.499 3.113 1.757 1.00 0.00 H new ATOM 0 HB2 LYS A 33 23.424 3.955 1.799 1.00 0.00 H new ATOM 0 HB3 LYS A 33 22.237 4.465 0.614 1.00 0.00 H new ATOM 0 HG2 LYS A 33 20.944 5.673 2.256 1.00 0.00 H new ATOM 0 HG3 LYS A 33 21.752 4.883 3.595 1.00 0.00 H new ATOM 0 HD2 LYS A 33 23.926 6.042 2.748 1.00 0.00 H new ATOM 0 HD3 LYS A 33 22.875 7.025 1.749 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.667 7.874 3.694 1.00 0.00 H new ATOM 0 HE3 LYS A 33 22.420 6.699 4.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.369 8.999 4.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 24.501 7.760 4.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.985 8.727 3.258 1.00 0.00 H new ATOM 482 N MET A 34 22.555 0.679 1.364 1.00 0.00 N ATOM 483 CA MET A 34 22.711 -0.534 0.573 1.00 0.00 C ATOM 484 C MET A 34 21.391 -1.299 0.546 1.00 0.00 C ATOM 485 O MET A 34 20.988 -1.780 -0.511 1.00 0.00 O ATOM 486 CB MET A 34 23.808 -1.456 1.127 1.00 0.00 C ATOM 487 CG MET A 34 25.163 -0.768 1.329 1.00 0.00 C ATOM 488 SD MET A 34 26.537 -1.880 1.767 1.00 0.00 S ATOM 489 CE MET A 34 25.784 -2.937 3.040 1.00 0.00 C ATOM 0 H MET A 34 23.014 0.641 2.274 1.00 0.00 H new ATOM 0 HA MET A 34 23.004 -0.229 -0.432 1.00 0.00 H new ATOM 0 HB2 MET A 34 23.475 -1.866 2.081 1.00 0.00 H new ATOM 0 HB3 MET A 34 23.938 -2.297 0.446 1.00 0.00 H new ATOM 0 HG2 MET A 34 25.424 -0.237 0.413 1.00 0.00 H new ATOM 0 HG3 MET A 34 25.059 -0.018 2.113 1.00 0.00 H new ATOM 0 HE1 MET A 34 26.566 -3.363 3.669 1.00 0.00 H new ATOM 0 HE2 MET A 34 25.108 -2.342 3.654 1.00 0.00 H new ATOM 0 HE3 MET A 34 25.225 -3.741 2.561 1.00 0.00 H new ATOM 499 N ILE A 35 20.713 -1.418 1.696 1.00 0.00 N ATOM 500 CA ILE A 35 19.458 -2.159 1.792 1.00 0.00 C ATOM 501 C ILE A 35 18.270 -1.319 1.294 1.00 0.00 C ATOM 502 O ILE A 35 17.288 -1.899 0.847 1.00 0.00 O ATOM 503 CB ILE A 35 19.271 -2.777 3.202 1.00 0.00 C ATOM 504 CG1 ILE A 35 18.103 -3.791 3.211 1.00 0.00 C ATOM 505 CG2 ILE A 35 19.132 -1.704 4.292 1.00 0.00 C ATOM 506 CD1 ILE A 35 17.918 -4.549 4.530 1.00 0.00 C ATOM 0 H ILE A 35 21.020 -1.005 2.577 1.00 0.00 H new ATOM 0 HA ILE A 35 19.502 -3.012 1.115 1.00 0.00 H new ATOM 0 HB ILE A 35 20.179 -3.330 3.444 1.00 0.00 H new ATOM 0 HG12 ILE A 35 17.179 -3.261 2.981 1.00 0.00 H new ATOM 0 HG13 ILE A 35 18.263 -4.515 2.412 1.00 0.00 H new ATOM 0 HG21 ILE A 35 19.003 -2.185 5.262 1.00 0.00 H new ATOM 0 HG22 ILE A 35 20.029 -1.085 4.310 1.00 0.00 H new ATOM 0 HG23 ILE A 35 18.265 -1.079 4.079 1.00 0.00 H new ATOM 0 HD11 ILE A 35 17.076 -5.236 4.440 1.00 0.00 H new ATOM 0 HD12 ILE A 35 18.823 -5.112 4.756 1.00 0.00 H new ATOM 0 HD13 ILE A 35 17.722 -3.839 5.333 1.00 0.00 H new ATOM 518 N ALA A 36 18.337 0.018 1.300 1.00 0.00 N ATOM 519 CA ALA A 36 17.254 0.884 0.822 1.00 0.00 C ATOM 520 C ALA A 36 16.685 0.488 -0.562 1.00 0.00 C ATOM 521 O ALA A 36 15.469 0.299 -0.652 1.00 0.00 O ATOM 522 CB ALA A 36 17.692 2.353 0.868 1.00 0.00 C ATOM 0 H ALA A 36 19.150 0.532 1.639 1.00 0.00 H new ATOM 0 HA ALA A 36 16.418 0.742 1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.880 2.986 0.511 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.941 2.626 1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.567 2.492 0.233 1.00 0.00 H new ATOM 528 N PRO A 37 17.483 0.286 -1.631 1.00 0.00 N ATOM 529 CA PRO A 37 16.941 -0.166 -2.912 1.00 0.00 C ATOM 530 C PRO A 37 16.386 -1.593 -2.846 1.00 0.00 C ATOM 531 O PRO A 37 15.489 -1.939 -3.611 1.00 0.00 O ATOM 532 CB PRO A 37 18.085 -0.041 -3.924 1.00 0.00 C ATOM 533 CG PRO A 37 19.341 -0.119 -3.060 1.00 0.00 C ATOM 534 CD PRO A 37 18.904 0.568 -1.769 1.00 0.00 C ATOM 0 HA PRO A 37 16.087 0.445 -3.204 1.00 0.00 H new ATOM 0 HB2 PRO A 37 18.056 -0.842 -4.662 1.00 0.00 H new ATOM 0 HB3 PRO A 37 18.034 0.900 -4.472 1.00 0.00 H new ATOM 0 HG2 PRO A 37 19.649 -1.150 -2.886 1.00 0.00 H new ATOM 0 HG3 PRO A 37 20.184 0.392 -3.525 1.00 0.00 H new ATOM 0 HD2 PRO A 37 19.463 0.187 -0.915 1.00 0.00 H new ATOM 0 HD3 PRO A 37 19.087 1.642 -1.816 1.00 0.00 H new ATOM 542 N VAL A 38 16.877 -2.426 -1.927 1.00 0.00 N ATOM 543 CA VAL A 38 16.342 -3.758 -1.697 1.00 0.00 C ATOM 544 C VAL A 38 14.967 -3.651 -1.019 1.00 0.00 C ATOM 545 O VAL A 38 14.077 -4.429 -1.346 1.00 0.00 O ATOM 546 CB VAL A 38 17.332 -4.622 -0.886 1.00 0.00 C ATOM 547 CG1 VAL A 38 16.967 -6.104 -1.002 1.00 0.00 C ATOM 548 CG2 VAL A 38 18.785 -4.481 -1.369 1.00 0.00 C ATOM 0 H VAL A 38 17.662 -2.189 -1.320 1.00 0.00 H new ATOM 0 HA VAL A 38 16.207 -4.263 -2.654 1.00 0.00 H new ATOM 0 HB VAL A 38 17.259 -4.266 0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 38 17.674 -6.699 -0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.960 -6.262 -0.616 1.00 0.00 H new ATOM 0 HG13 VAL A 38 17.006 -6.408 -2.048 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.433 -5.112 -0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 38 18.853 -4.790 -2.412 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.100 -3.442 -1.277 1.00 0.00 H new ATOM 558 N LEU A 39 14.745 -2.676 -0.126 1.00 0.00 N ATOM 559 CA LEU A 39 13.416 -2.386 0.402 1.00 0.00 C ATOM 560 C LEU A 39 12.496 -1.842 -0.686 1.00 0.00 C ATOM 561 O LEU A 39 11.315 -2.171 -0.679 1.00 0.00 O ATOM 562 CB LEU A 39 13.469 -1.415 1.593 1.00 0.00 C ATOM 563 CG LEU A 39 14.160 -1.996 2.838 1.00 0.00 C ATOM 564 CD1 LEU A 39 14.276 -0.916 3.918 1.00 0.00 C ATOM 565 CD2 LEU A 39 13.421 -3.216 3.408 1.00 0.00 C ATOM 0 H LEU A 39 15.480 -2.073 0.245 1.00 0.00 H new ATOM 0 HA LEU A 39 13.007 -3.330 0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 39 13.993 -0.509 1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 39 12.453 -1.122 1.857 1.00 0.00 H new ATOM 0 HG LEU A 39 15.150 -2.330 2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.766 -1.333 4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 39 14.864 -0.081 3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.281 -0.565 4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.952 -3.586 4.285 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.408 -2.929 3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.378 -4.001 2.653 1.00 0.00 H new ATOM 577 N GLU A 40 12.998 -1.053 -1.640 1.00 0.00 N ATOM 578 CA GLU A 40 12.197 -0.655 -2.795 1.00 0.00 C ATOM 579 C GLU A 40 11.804 -1.877 -3.633 1.00 0.00 C ATOM 580 O GLU A 40 10.655 -1.993 -4.064 1.00 0.00 O ATOM 581 CB GLU A 40 12.908 0.410 -3.647 1.00 0.00 C ATOM 582 CG GLU A 40 12.997 1.762 -2.925 1.00 0.00 C ATOM 583 CD GLU A 40 13.640 2.838 -3.819 1.00 0.00 C ATOM 584 OE1 GLU A 40 12.919 3.483 -4.616 1.00 0.00 O ATOM 585 OE2 GLU A 40 14.865 3.070 -3.723 1.00 0.00 O ATOM 0 H GLU A 40 13.948 -0.681 -1.634 1.00 0.00 H new ATOM 0 HA GLU A 40 11.282 -0.197 -2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.912 0.065 -3.894 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.373 0.537 -4.588 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.999 2.083 -2.628 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.581 1.650 -2.011 1.00 0.00 H new ATOM 592 N GLU A 41 12.726 -2.814 -3.848 1.00 0.00 N ATOM 593 CA GLU A 41 12.419 -4.072 -4.516 1.00 0.00 C ATOM 594 C GLU A 41 11.367 -4.845 -3.719 1.00 0.00 C ATOM 595 O GLU A 41 10.397 -5.326 -4.297 1.00 0.00 O ATOM 596 CB GLU A 41 13.686 -4.916 -4.714 1.00 0.00 C ATOM 597 CG GLU A 41 14.559 -4.447 -5.886 1.00 0.00 C ATOM 598 CD GLU A 41 13.979 -4.884 -7.240 1.00 0.00 C ATOM 599 OE1 GLU A 41 14.196 -6.054 -7.633 1.00 0.00 O ATOM 600 OE2 GLU A 41 13.329 -4.063 -7.926 1.00 0.00 O ATOM 0 H GLU A 41 13.701 -2.721 -3.565 1.00 0.00 H new ATOM 0 HA GLU A 41 12.015 -3.849 -5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.277 -4.890 -3.798 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.399 -5.955 -4.878 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.647 -3.361 -5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.565 -4.851 -5.774 1.00 0.00 H new ATOM 607 N LEU A 42 11.520 -4.922 -2.396 1.00 0.00 N ATOM 608 CA LEU A 42 10.594 -5.619 -1.516 1.00 0.00 C ATOM 609 C LEU A 42 9.201 -4.997 -1.610 1.00 0.00 C ATOM 610 O LEU A 42 8.207 -5.716 -1.687 1.00 0.00 O ATOM 611 CB LEU A 42 11.116 -5.587 -0.067 1.00 0.00 C ATOM 612 CG LEU A 42 10.280 -6.457 0.888 1.00 0.00 C ATOM 613 CD1 LEU A 42 10.412 -7.947 0.544 1.00 0.00 C ATOM 614 CD2 LEU A 42 10.731 -6.202 2.329 1.00 0.00 C ATOM 0 H LEU A 42 12.304 -4.494 -1.903 1.00 0.00 H new ATOM 0 HA LEU A 42 10.521 -6.660 -1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.151 -5.929 -0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 42 11.115 -4.558 0.292 1.00 0.00 H new ATOM 0 HG LEU A 42 9.230 -6.186 0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.810 -8.535 1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.064 -8.117 -0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.456 -8.248 0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.141 -6.817 3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.786 -6.458 2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.588 -5.150 2.574 1.00 0.00 H new ATOM 626 N ASP A 43 9.121 -3.667 -1.651 1.00 0.00 N ATOM 627 CA ASP A 43 7.865 -2.947 -1.802 1.00 0.00 C ATOM 628 C ASP A 43 7.189 -3.309 -3.115 1.00 0.00 C ATOM 629 O ASP A 43 5.991 -3.577 -3.156 1.00 0.00 O ATOM 630 CB ASP A 43 8.095 -1.436 -1.771 1.00 0.00 C ATOM 631 CG ASP A 43 6.743 -0.717 -1.710 1.00 0.00 C ATOM 632 OD1 ASP A 43 6.019 -0.912 -0.710 1.00 0.00 O ATOM 633 OD2 ASP A 43 6.423 0.051 -2.645 1.00 0.00 O ATOM 0 H ASP A 43 9.936 -3.057 -1.579 1.00 0.00 H new ATOM 0 HA ASP A 43 7.224 -3.235 -0.969 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.702 -1.167 -0.906 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.646 -1.123 -2.657 1.00 0.00 H new ATOM 638 N GLN A 44 7.973 -3.373 -4.190 1.00 0.00 N ATOM 639 CA GLN A 44 7.482 -3.711 -5.517 1.00 0.00 C ATOM 640 C GLN A 44 7.118 -5.203 -5.649 1.00 0.00 C ATOM 641 O GLN A 44 6.481 -5.586 -6.631 1.00 0.00 O ATOM 642 CB GLN A 44 8.514 -3.257 -6.558 1.00 0.00 C ATOM 643 CG GLN A 44 8.598 -1.720 -6.609 1.00 0.00 C ATOM 644 CD GLN A 44 9.797 -1.263 -7.437 1.00 0.00 C ATOM 645 OE1 GLN A 44 9.690 -0.966 -8.625 1.00 0.00 O ATOM 646 NE2 GLN A 44 10.965 -1.209 -6.822 1.00 0.00 N ATOM 0 H GLN A 44 8.976 -3.189 -4.160 1.00 0.00 H new ATOM 0 HA GLN A 44 6.547 -3.180 -5.696 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.492 -3.671 -6.312 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.241 -3.644 -7.540 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.681 -1.316 -7.038 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.678 -1.323 -5.597 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.034 -1.459 -5.836 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.798 -0.917 -7.334 1.00 0.00 H new ATOM 655 N GLU A 45 7.478 -6.042 -4.671 1.00 0.00 N ATOM 656 CA GLU A 45 7.233 -7.480 -4.661 1.00 0.00 C ATOM 657 C GLU A 45 6.090 -7.843 -3.716 1.00 0.00 C ATOM 658 O GLU A 45 5.399 -8.835 -3.959 1.00 0.00 O ATOM 659 CB GLU A 45 8.516 -8.216 -4.236 1.00 0.00 C ATOM 660 CG GLU A 45 9.590 -8.230 -5.336 1.00 0.00 C ATOM 661 CD GLU A 45 9.294 -9.249 -6.451 1.00 0.00 C ATOM 662 OE1 GLU A 45 8.493 -8.954 -7.367 1.00 0.00 O ATOM 663 OE2 GLU A 45 9.887 -10.352 -6.445 1.00 0.00 O ATOM 0 H GLU A 45 7.966 -5.721 -3.835 1.00 0.00 H new ATOM 0 HA GLU A 45 6.946 -7.786 -5.667 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.923 -7.740 -3.344 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.267 -9.242 -3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.668 -7.234 -5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.557 -8.459 -4.889 1.00 0.00 H new ATOM 670 N MET A 46 5.869 -7.052 -2.658 1.00 0.00 N ATOM 671 CA MET A 46 4.967 -7.417 -1.568 1.00 0.00 C ATOM 672 C MET A 46 4.016 -6.303 -1.153 1.00 0.00 C ATOM 673 O MET A 46 3.189 -6.545 -0.278 1.00 0.00 O ATOM 674 CB MET A 46 5.773 -7.853 -0.337 1.00 0.00 C ATOM 675 CG MET A 46 6.819 -8.925 -0.637 1.00 0.00 C ATOM 676 SD MET A 46 7.261 -9.886 0.824 1.00 0.00 S ATOM 677 CE MET A 46 5.962 -11.139 0.720 1.00 0.00 C ATOM 0 H MET A 46 6.313 -6.141 -2.538 1.00 0.00 H new ATOM 0 HA MET A 46 4.359 -8.235 -1.954 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.270 -6.981 0.088 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.086 -8.230 0.421 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.437 -9.595 -1.407 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.714 -8.452 -1.041 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.065 -11.839 1.549 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.986 -10.656 0.771 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.051 -11.678 -0.223 1.00 0.00 H new ATOM 687 N GLY A 47 4.092 -5.105 -1.736 1.00 0.00 N ATOM 688 CA GLY A 47 3.324 -3.931 -1.307 1.00 0.00 C ATOM 689 C GLY A 47 1.804 -4.130 -1.247 1.00 0.00 C ATOM 690 O GLY A 47 1.112 -3.355 -0.589 1.00 0.00 O ATOM 0 H GLY A 47 4.699 -4.919 -2.534 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.674 -3.629 -0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.540 -3.107 -1.987 1.00 0.00 H new ATOM 694 N ASP A 48 1.273 -5.168 -1.893 1.00 0.00 N ATOM 695 CA ASP A 48 -0.135 -5.558 -1.828 1.00 0.00 C ATOM 696 C ASP A 48 -0.527 -6.063 -0.430 1.00 0.00 C ATOM 697 O ASP A 48 -1.663 -5.874 0.006 1.00 0.00 O ATOM 698 CB ASP A 48 -0.404 -6.651 -2.868 1.00 0.00 C ATOM 699 CG ASP A 48 -1.857 -7.144 -2.802 1.00 0.00 C ATOM 700 OD1 ASP A 48 -2.768 -6.421 -3.265 1.00 0.00 O ATOM 701 OD2 ASP A 48 -2.085 -8.273 -2.316 1.00 0.00 O ATOM 0 H ASP A 48 1.827 -5.778 -2.494 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.740 -4.677 -2.040 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.194 -6.265 -3.866 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.274 -7.488 -2.701 1.00 0.00 H new ATOM 706 N LYS A 49 0.425 -6.671 0.288 1.00 0.00 N ATOM 707 CA LYS A 49 0.259 -7.248 1.621 1.00 0.00 C ATOM 708 C LYS A 49 1.133 -6.546 2.660 1.00 0.00 C ATOM 709 O LYS A 49 0.872 -6.692 3.854 1.00 0.00 O ATOM 710 CB LYS A 49 0.631 -8.745 1.567 1.00 0.00 C ATOM 711 CG LYS A 49 -0.333 -9.585 0.716 1.00 0.00 C ATOM 712 CD LYS A 49 -1.694 -9.776 1.407 1.00 0.00 C ATOM 713 CE LYS A 49 -2.646 -10.654 0.582 1.00 0.00 C ATOM 714 NZ LYS A 49 -3.345 -9.899 -0.488 1.00 0.00 N ATOM 0 H LYS A 49 1.376 -6.777 -0.064 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.781 -7.118 1.921 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.640 -8.846 1.166 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.649 -9.144 2.581 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.481 -9.100 -0.249 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.113 -10.560 0.518 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.542 -10.229 2.386 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.154 -8.802 1.575 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.082 -11.472 0.134 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.385 -11.103 1.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.725 -10.565 -1.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.125 -9.350 -0.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.675 -9.252 -0.951 1.00 0.00 H new ATOM 728 N LEU A 50 2.153 -5.796 2.232 1.00 0.00 N ATOM 729 CA LEU A 50 3.185 -5.249 3.098 1.00 0.00 C ATOM 730 C LEU A 50 3.148 -3.724 3.080 1.00 0.00 C ATOM 731 O LEU A 50 2.740 -3.104 2.096 1.00 0.00 O ATOM 732 CB LEU A 50 4.547 -5.772 2.597 1.00 0.00 C ATOM 733 CG LEU A 50 5.770 -5.398 3.454 1.00 0.00 C ATOM 734 CD1 LEU A 50 5.653 -5.958 4.875 1.00 0.00 C ATOM 735 CD2 LEU A 50 7.037 -5.926 2.783 1.00 0.00 C ATOM 0 H LEU A 50 2.281 -5.551 1.250 1.00 0.00 H new ATOM 0 HA LEU A 50 3.020 -5.563 4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.494 -6.859 2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.708 -5.397 1.586 1.00 0.00 H new ATOM 0 HG LEU A 50 5.817 -4.312 3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.534 -5.675 5.451 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.761 -5.554 5.353 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.581 -7.045 4.833 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.905 -5.663 3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.975 -7.010 2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.136 -5.482 1.792 1.00 0.00 H new ATOM 747 N LYS A 51 3.635 -3.120 4.158 1.00 0.00 N ATOM 748 CA LYS A 51 3.950 -1.703 4.274 1.00 0.00 C ATOM 749 C LYS A 51 5.365 -1.682 4.843 1.00 0.00 C ATOM 750 O LYS A 51 5.697 -2.538 5.669 1.00 0.00 O ATOM 751 CB LYS A 51 2.938 -1.017 5.208 1.00 0.00 C ATOM 752 CG LYS A 51 3.201 0.491 5.379 1.00 0.00 C ATOM 753 CD LYS A 51 2.433 1.097 6.559 1.00 0.00 C ATOM 754 CE LYS A 51 0.914 1.066 6.356 1.00 0.00 C ATOM 755 NZ LYS A 51 0.228 1.731 7.479 1.00 0.00 N ATOM 0 H LYS A 51 3.830 -3.633 5.018 1.00 0.00 H new ATOM 0 HA LYS A 51 3.894 -1.164 3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.932 -1.162 4.814 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.970 -1.499 6.185 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.269 0.655 5.524 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.920 1.011 4.463 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.685 0.552 7.469 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.755 2.128 6.705 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.656 1.562 5.420 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.573 0.034 6.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.793 1.541 7.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.600 1.365 8.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.392 2.757 7.428 1.00 0.00 H new ATOM 769 N ILE A 52 6.186 -0.724 4.434 1.00 0.00 N ATOM 770 CA ILE A 52 7.545 -0.573 4.940 1.00 0.00 C ATOM 771 C ILE A 52 7.571 0.792 5.620 1.00 0.00 C ATOM 772 O ILE A 52 6.978 1.732 5.097 1.00 0.00 O ATOM 773 CB ILE A 52 8.566 -0.751 3.791 1.00 0.00 C ATOM 774 CG1 ILE A 52 8.452 -2.175 3.187 1.00 0.00 C ATOM 775 CG2 ILE A 52 10.005 -0.465 4.261 1.00 0.00 C ATOM 776 CD1 ILE A 52 9.381 -2.440 1.998 1.00 0.00 C ATOM 0 H ILE A 52 5.927 -0.025 3.738 1.00 0.00 H new ATOM 0 HA ILE A 52 7.832 -1.335 5.665 1.00 0.00 H new ATOM 0 HB ILE A 52 8.329 -0.023 3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.666 -2.905 3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.422 -2.340 2.870 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.694 -0.600 3.427 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.072 0.560 4.624 1.00 0.00 H new ATOM 0 HG23 ILE A 52 10.269 -1.153 5.065 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.233 -3.459 1.641 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.154 -1.738 1.196 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.417 -2.312 2.310 1.00 0.00 H new ATOM 788 N VAL A 53 8.207 0.918 6.785 1.00 0.00 N ATOM 789 CA VAL A 53 8.096 2.125 7.610 1.00 0.00 C ATOM 790 C VAL A 53 9.496 2.547 8.059 1.00 0.00 C ATOM 791 O VAL A 53 10.043 2.001 9.016 1.00 0.00 O ATOM 792 CB VAL A 53 7.098 1.878 8.770 1.00 0.00 C ATOM 793 CG1 VAL A 53 7.013 3.079 9.724 1.00 0.00 C ATOM 794 CG2 VAL A 53 5.677 1.623 8.243 1.00 0.00 C ATOM 0 H VAL A 53 8.808 0.196 7.182 1.00 0.00 H new ATOM 0 HA VAL A 53 7.686 2.961 7.043 1.00 0.00 H new ATOM 0 HB VAL A 53 7.477 1.004 9.300 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.302 2.861 10.521 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.995 3.271 10.156 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.681 3.959 9.173 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.003 1.454 9.082 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.339 2.490 7.675 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.681 0.745 7.597 1.00 0.00 H new ATOM 804 N LYS A 54 10.107 3.513 7.369 1.00 0.00 N ATOM 805 CA LYS A 54 11.407 4.039 7.782 1.00 0.00 C ATOM 806 C LYS A 54 11.182 4.922 9.009 1.00 0.00 C ATOM 807 O LYS A 54 10.216 5.692 9.036 1.00 0.00 O ATOM 808 CB LYS A 54 12.083 4.818 6.637 1.00 0.00 C ATOM 809 CG LYS A 54 12.261 3.957 5.372 1.00 0.00 C ATOM 810 CD LYS A 54 12.978 4.693 4.230 1.00 0.00 C ATOM 811 CE LYS A 54 14.403 5.107 4.627 1.00 0.00 C ATOM 812 NZ LYS A 54 15.165 5.676 3.487 1.00 0.00 N ATOM 0 H LYS A 54 9.724 3.944 6.527 1.00 0.00 H new ATOM 0 HA LYS A 54 12.083 3.221 8.034 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.485 5.697 6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.057 5.177 6.970 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.826 3.061 5.628 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.282 3.628 5.024 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.018 4.050 3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.406 5.578 3.952 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.354 5.842 5.431 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.934 4.240 5.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.119 5.940 3.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.236 4.968 2.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.674 6.520 3.128 1.00 0.00 H new ATOM 826 N ILE A 55 12.069 4.851 10.001 1.00 0.00 N ATOM 827 CA ILE A 55 12.007 5.685 11.197 1.00 0.00 C ATOM 828 C ILE A 55 13.435 6.084 11.592 1.00 0.00 C ATOM 829 O ILE A 55 14.339 5.242 11.676 1.00 0.00 O ATOM 830 CB ILE A 55 11.168 5.002 12.306 1.00 0.00 C ATOM 831 CG1 ILE A 55 11.117 5.894 13.566 1.00 0.00 C ATOM 832 CG2 ILE A 55 11.627 3.573 12.654 1.00 0.00 C ATOM 833 CD1 ILE A 55 9.978 5.531 14.527 1.00 0.00 C ATOM 0 H ILE A 55 12.859 4.205 9.995 1.00 0.00 H new ATOM 0 HA ILE A 55 11.473 6.616 11.007 1.00 0.00 H new ATOM 0 HB ILE A 55 10.163 4.889 11.900 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.067 5.816 14.095 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.006 6.934 13.261 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.988 3.167 13.438 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.559 2.943 11.767 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.659 3.597 13.003 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.003 6.198 15.389 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.022 5.636 14.014 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.099 4.501 14.862 1.00 0.00 H new ATOM 845 N ASP A 56 13.628 7.398 11.753 1.00 0.00 N ATOM 846 CA ASP A 56 14.930 8.026 11.959 1.00 0.00 C ATOM 847 C ASP A 56 15.271 7.980 13.444 1.00 0.00 C ATOM 848 O ASP A 56 14.694 8.735 14.232 1.00 0.00 O ATOM 849 CB ASP A 56 14.926 9.473 11.449 1.00 0.00 C ATOM 850 CG ASP A 56 16.287 10.180 11.622 1.00 0.00 C ATOM 851 OD1 ASP A 56 17.233 9.598 12.201 1.00 0.00 O ATOM 852 OD2 ASP A 56 16.408 11.331 11.144 1.00 0.00 O ATOM 0 H ASP A 56 12.860 8.069 11.743 1.00 0.00 H new ATOM 0 HA ASP A 56 15.687 7.481 11.394 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.652 9.479 10.394 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.160 10.037 11.981 1.00 0.00 H new ATOM 857 N VAL A 57 16.163 7.080 13.850 1.00 0.00 N ATOM 858 CA VAL A 57 16.485 6.860 15.254 1.00 0.00 C ATOM 859 C VAL A 57 17.030 8.124 15.922 1.00 0.00 C ATOM 860 O VAL A 57 16.855 8.274 17.131 1.00 0.00 O ATOM 861 CB VAL A 57 17.425 5.648 15.438 1.00 0.00 C ATOM 862 CG1 VAL A 57 16.777 4.377 14.875 1.00 0.00 C ATOM 863 CG2 VAL A 57 18.819 5.815 14.815 1.00 0.00 C ATOM 0 H VAL A 57 16.684 6.481 13.210 1.00 0.00 H new ATOM 0 HA VAL A 57 15.553 6.619 15.765 1.00 0.00 H new ATOM 0 HB VAL A 57 17.574 5.570 16.515 1.00 0.00 H new ATOM 0 HG11 VAL A 57 17.452 3.533 15.013 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.841 4.183 15.399 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.576 4.511 13.812 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.408 4.915 14.994 1.00 0.00 H new ATOM 0 HG22 VAL A 57 18.721 5.976 13.742 1.00 0.00 H new ATOM 0 HG23 VAL A 57 19.319 6.672 15.266 1.00 0.00 H new ATOM 873 N ASP A 58 17.634 9.056 15.175 1.00 0.00 N ATOM 874 CA ASP A 58 18.218 10.274 15.745 1.00 0.00 C ATOM 875 C ASP A 58 17.152 11.191 16.360 1.00 0.00 C ATOM 876 O ASP A 58 17.468 12.035 17.198 1.00 0.00 O ATOM 877 CB ASP A 58 19.017 11.033 14.679 1.00 0.00 C ATOM 878 CG ASP A 58 19.752 12.243 15.279 1.00 0.00 C ATOM 879 OD1 ASP A 58 20.680 12.048 16.098 1.00 0.00 O ATOM 880 OD2 ASP A 58 19.447 13.396 14.898 1.00 0.00 O ATOM 0 H ASP A 58 17.731 8.987 14.162 1.00 0.00 H new ATOM 0 HA ASP A 58 18.889 9.967 16.547 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.739 10.360 14.217 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.344 11.369 13.890 1.00 0.00 H new ATOM 885 N GLU A 59 15.882 10.988 15.997 1.00 0.00 N ATOM 886 CA GLU A 59 14.734 11.737 16.502 1.00 0.00 C ATOM 887 C GLU A 59 13.723 10.802 17.188 1.00 0.00 C ATOM 888 O GLU A 59 12.640 11.242 17.578 1.00 0.00 O ATOM 889 CB GLU A 59 14.075 12.501 15.341 1.00 0.00 C ATOM 890 CG GLU A 59 14.994 13.564 14.721 1.00 0.00 C ATOM 891 CD GLU A 59 14.219 14.495 13.772 1.00 0.00 C ATOM 892 OE1 GLU A 59 13.962 14.122 12.604 1.00 0.00 O ATOM 893 OE2 GLU A 59 13.867 15.627 14.178 1.00 0.00 O ATOM 0 H GLU A 59 15.619 10.272 15.320 1.00 0.00 H new ATOM 0 HA GLU A 59 15.077 12.451 17.251 1.00 0.00 H new ATOM 0 HB2 GLU A 59 13.778 11.791 14.569 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.165 12.981 15.700 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.457 14.153 15.513 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.801 13.075 14.175 1.00 0.00 H new ATOM 900 N ASN A 60 14.056 9.513 17.329 1.00 0.00 N ATOM 901 CA ASN A 60 13.140 8.461 17.785 1.00 0.00 C ATOM 902 C ASN A 60 13.886 7.490 18.697 1.00 0.00 C ATOM 903 O ASN A 60 13.713 6.270 18.612 1.00 0.00 O ATOM 904 CB ASN A 60 12.479 7.752 16.591 1.00 0.00 C ATOM 905 CG ASN A 60 11.546 8.684 15.833 1.00 0.00 C ATOM 906 OD1 ASN A 60 10.409 8.911 16.235 1.00 0.00 O ATOM 907 ND2 ASN A 60 12.000 9.244 14.725 1.00 0.00 N ATOM 0 H ASN A 60 14.993 9.165 17.124 1.00 0.00 H new ATOM 0 HA ASN A 60 12.333 8.910 18.364 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.250 7.380 15.916 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.920 6.886 16.945 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.403 9.875 14.191 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.948 9.045 14.404 1.00 0.00 H new ATOM 914 N GLN A 61 14.751 8.032 19.559 1.00 0.00 N ATOM 915 CA GLN A 61 15.484 7.269 20.562 1.00 0.00 C ATOM 916 C GLN A 61 14.525 6.469 21.448 1.00 0.00 C ATOM 917 O GLN A 61 14.879 5.384 21.901 1.00 0.00 O ATOM 918 CB GLN A 61 16.338 8.216 21.423 1.00 0.00 C ATOM 919 CG GLN A 61 17.510 8.843 20.654 1.00 0.00 C ATOM 920 CD GLN A 61 18.593 7.817 20.315 1.00 0.00 C ATOM 921 OE1 GLN A 61 19.403 7.438 21.157 1.00 0.00 O ATOM 922 NE2 GLN A 61 18.628 7.337 19.084 1.00 0.00 N ATOM 0 H GLN A 61 14.962 9.030 19.576 1.00 0.00 H new ATOM 0 HA GLN A 61 16.139 6.566 20.048 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.704 9.010 21.816 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.727 7.666 22.280 1.00 0.00 H new ATOM 0 HG2 GLN A 61 17.139 9.294 19.734 1.00 0.00 H new ATOM 0 HG3 GLN A 61 17.946 9.645 21.250 1.00 0.00 H new ATOM 0 HE21 GLN A 61 17.951 7.658 18.392 1.00 0.00 H new ATOM 0 HE22 GLN A 61 19.332 6.645 18.826 1.00 0.00 H new ATOM 931 N GLU A 62 13.311 6.976 21.680 1.00 0.00 N ATOM 932 CA GLU A 62 12.300 6.325 22.493 1.00 0.00 C ATOM 933 C GLU A 62 11.844 5.030 21.820 1.00 0.00 C ATOM 934 O GLU A 62 11.860 3.970 22.445 1.00 0.00 O ATOM 935 CB GLU A 62 11.102 7.266 22.728 1.00 0.00 C ATOM 936 CG GLU A 62 11.469 8.638 23.327 1.00 0.00 C ATOM 937 CD GLU A 62 11.645 9.751 22.270 1.00 0.00 C ATOM 938 OE1 GLU A 62 12.396 9.564 21.286 1.00 0.00 O ATOM 939 OE2 GLU A 62 11.041 10.836 22.437 1.00 0.00 O ATOM 0 H GLU A 62 13.005 7.870 21.296 1.00 0.00 H new ATOM 0 HA GLU A 62 12.734 6.082 23.463 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.590 7.424 21.779 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.394 6.772 23.393 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.692 8.937 24.030 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.393 8.540 23.896 1.00 0.00 H new ATOM 946 N THR A 63 11.484 5.089 20.536 1.00 0.00 N ATOM 947 CA THR A 63 11.007 3.938 19.785 1.00 0.00 C ATOM 948 C THR A 63 12.151 2.937 19.595 1.00 0.00 C ATOM 949 O THR A 63 11.947 1.737 19.717 1.00 0.00 O ATOM 950 CB THR A 63 10.451 4.402 18.428 1.00 0.00 C ATOM 951 OG1 THR A 63 9.999 5.747 18.480 1.00 0.00 O ATOM 952 CG2 THR A 63 9.306 3.519 17.926 1.00 0.00 C ATOM 0 H THR A 63 11.518 5.948 19.988 1.00 0.00 H new ATOM 0 HA THR A 63 10.206 3.444 20.335 1.00 0.00 H new ATOM 0 HB THR A 63 11.284 4.321 17.730 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.654 6.010 17.601 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.953 3.893 16.965 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.661 2.495 17.809 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.488 3.539 18.646 1.00 0.00 H new ATOM 960 N ALA A 64 13.377 3.406 19.348 1.00 0.00 N ATOM 961 CA ALA A 64 14.554 2.548 19.311 1.00 0.00 C ATOM 962 C ALA A 64 14.732 1.831 20.654 1.00 0.00 C ATOM 963 O ALA A 64 14.867 0.606 20.691 1.00 0.00 O ATOM 964 CB ALA A 64 15.781 3.397 18.944 1.00 0.00 C ATOM 0 H ALA A 64 13.577 4.390 19.169 1.00 0.00 H new ATOM 0 HA ALA A 64 14.432 1.776 18.551 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.667 2.762 18.914 1.00 0.00 H new ATOM 0 HB2 ALA A 64 15.628 3.853 17.966 1.00 0.00 H new ATOM 0 HB3 ALA A 64 15.920 4.178 19.691 1.00 0.00 H new ATOM 970 N GLY A 65 14.651 2.570 21.763 1.00 0.00 N ATOM 971 CA GLY A 65 14.746 2.026 23.110 1.00 0.00 C ATOM 972 C GLY A 65 13.640 1.015 23.407 1.00 0.00 C ATOM 973 O GLY A 65 13.869 0.071 24.164 1.00 0.00 O ATOM 0 H GLY A 65 14.515 3.581 21.744 1.00 0.00 H new ATOM 0 HA2 GLY A 65 15.717 1.547 23.238 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.694 2.840 23.833 1.00 0.00 H new ATOM 977 N LYS A 66 12.470 1.154 22.769 1.00 0.00 N ATOM 978 CA LYS A 66 11.319 0.271 22.940 1.00 0.00 C ATOM 979 C LYS A 66 11.683 -1.187 22.648 1.00 0.00 C ATOM 980 O LYS A 66 11.103 -2.080 23.268 1.00 0.00 O ATOM 981 CB LYS A 66 10.165 0.753 22.034 1.00 0.00 C ATOM 982 CG LYS A 66 8.776 0.201 22.394 1.00 0.00 C ATOM 983 CD LYS A 66 8.259 0.683 23.758 1.00 0.00 C ATOM 984 CE LYS A 66 6.821 0.190 23.973 1.00 0.00 C ATOM 985 NZ LYS A 66 6.265 0.631 25.277 1.00 0.00 N ATOM 0 H LYS A 66 12.298 1.906 22.102 1.00 0.00 H new ATOM 0 HA LYS A 66 10.995 0.313 23.980 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.126 1.842 22.070 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.393 0.476 21.005 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.066 0.494 21.621 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.816 -0.888 22.394 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.904 0.310 24.554 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.291 1.772 23.805 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.188 0.560 23.166 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.801 -0.899 23.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.293 0.275 25.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.853 0.257 26.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.259 1.670 25.318 1.00 0.00 H new ATOM 999 N TYR A 67 12.662 -1.430 21.767 1.00 0.00 N ATOM 1000 CA TYR A 67 13.096 -2.779 21.391 1.00 0.00 C ATOM 1001 C TYR A 67 14.601 -2.977 21.626 1.00 0.00 C ATOM 1002 O TYR A 67 15.171 -3.970 21.171 1.00 0.00 O ATOM 1003 CB TYR A 67 12.705 -3.074 19.932 1.00 0.00 C ATOM 1004 CG TYR A 67 11.436 -2.389 19.465 1.00 0.00 C ATOM 1005 CD1 TYR A 67 10.176 -2.822 19.919 1.00 0.00 C ATOM 1006 CD2 TYR A 67 11.536 -1.231 18.675 1.00 0.00 C ATOM 1007 CE1 TYR A 67 9.017 -2.097 19.585 1.00 0.00 C ATOM 1008 CE2 TYR A 67 10.389 -0.495 18.355 1.00 0.00 C ATOM 1009 CZ TYR A 67 9.120 -0.920 18.808 1.00 0.00 C ATOM 1010 OH TYR A 67 8.017 -0.173 18.526 1.00 0.00 O ATOM 0 H TYR A 67 13.178 -0.689 21.292 1.00 0.00 H new ATOM 0 HA TYR A 67 12.583 -3.495 22.034 1.00 0.00 H new ATOM 0 HB2 TYR A 67 13.526 -2.771 19.282 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.585 -4.151 19.813 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.098 -3.713 20.525 1.00 0.00 H new ATOM 0 HD2 TYR A 67 12.501 -0.908 18.314 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.050 -2.439 19.922 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.475 0.402 17.759 1.00 0.00 H new ATOM 0 HH TYR A 67 8.072 0.157 17.605 1.00 0.00 H new ATOM 1020 N GLY A 68 15.259 -2.040 22.321 1.00 0.00 N ATOM 1021 CA GLY A 68 16.697 -2.073 22.561 1.00 0.00 C ATOM 1022 C GLY A 68 17.512 -1.965 21.268 1.00 0.00 C ATOM 1023 O GLY A 68 18.593 -2.549 21.182 1.00 0.00 O ATOM 0 H GLY A 68 14.797 -1.230 22.735 1.00 0.00 H new ATOM 0 HA2 GLY A 68 16.969 -1.255 23.227 1.00 0.00 H new ATOM 0 HA3 GLY A 68 16.955 -3.000 23.073 1.00 0.00 H new ATOM 1027 N VAL A 69 17.002 -1.260 20.254 1.00 0.00 N ATOM 1028 CA VAL A 69 17.755 -0.942 19.045 1.00 0.00 C ATOM 1029 C VAL A 69 18.899 -0.008 19.464 1.00 0.00 C ATOM 1030 O VAL A 69 18.656 1.041 20.064 1.00 0.00 O ATOM 1031 CB VAL A 69 16.829 -0.307 17.979 1.00 0.00 C ATOM 1032 CG1 VAL A 69 17.586 -0.020 16.675 1.00 0.00 C ATOM 1033 CG2 VAL A 69 15.608 -1.187 17.665 1.00 0.00 C ATOM 0 H VAL A 69 16.050 -0.894 20.252 1.00 0.00 H new ATOM 0 HA VAL A 69 18.168 -1.839 18.583 1.00 0.00 H new ATOM 0 HB VAL A 69 16.479 0.631 18.410 1.00 0.00 H new ATOM 0 HG11 VAL A 69 16.905 0.425 15.950 1.00 0.00 H new ATOM 0 HG12 VAL A 69 18.406 0.670 16.875 1.00 0.00 H new ATOM 0 HG13 VAL A 69 17.985 -0.951 16.274 1.00 0.00 H new ATOM 0 HG21 VAL A 69 14.991 -0.697 16.912 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.943 -2.153 17.287 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.023 -1.336 18.573 1.00 0.00 H new ATOM 1043 N MET A 70 20.141 -0.395 19.158 1.00 0.00 N ATOM 1044 CA MET A 70 21.358 0.355 19.497 1.00 0.00 C ATOM 1045 C MET A 70 22.339 0.403 18.311 1.00 0.00 C ATOM 1046 O MET A 70 23.431 0.964 18.431 1.00 0.00 O ATOM 1047 CB MET A 70 22.027 -0.275 20.732 1.00 0.00 C ATOM 1048 CG MET A 70 21.181 -0.131 22.003 1.00 0.00 C ATOM 1049 SD MET A 70 21.956 -0.812 23.495 1.00 0.00 S ATOM 1050 CE MET A 70 20.624 -0.502 24.686 1.00 0.00 C ATOM 0 H MET A 70 20.335 -1.261 18.655 1.00 0.00 H new ATOM 0 HA MET A 70 21.077 1.383 19.727 1.00 0.00 H new ATOM 0 HB2 MET A 70 22.210 -1.332 20.541 1.00 0.00 H new ATOM 0 HB3 MET A 70 22.998 0.193 20.892 1.00 0.00 H new ATOM 0 HG2 MET A 70 20.970 0.926 22.167 1.00 0.00 H new ATOM 0 HG3 MET A 70 20.223 -0.627 21.846 1.00 0.00 H new ATOM 0 HE1 MET A 70 20.926 -0.860 25.670 1.00 0.00 H new ATOM 0 HE2 MET A 70 20.421 0.568 24.735 1.00 0.00 H new ATOM 0 HE3 MET A 70 19.723 -1.028 24.369 1.00 0.00 H new ATOM 1060 N SER A 71 21.940 -0.149 17.163 1.00 0.00 N ATOM 1061 CA SER A 71 22.678 -0.187 15.911 1.00 0.00 C ATOM 1062 C SER A 71 21.660 -0.040 14.778 1.00 0.00 C ATOM 1063 O SER A 71 20.466 -0.279 14.989 1.00 0.00 O ATOM 1064 CB SER A 71 23.436 -1.521 15.786 1.00 0.00 C ATOM 1065 OG SER A 71 24.289 -1.753 16.900 1.00 0.00 O ATOM 0 H SER A 71 21.033 -0.610 17.084 1.00 0.00 H new ATOM 0 HA SER A 71 23.413 0.617 15.868 1.00 0.00 H new ATOM 0 HB2 SER A 71 22.720 -2.339 15.700 1.00 0.00 H new ATOM 0 HB3 SER A 71 24.027 -1.518 14.870 1.00 0.00 H new ATOM 0 HG SER A 71 24.751 -2.609 16.785 1.00 0.00 H new ATOM 1071 N ILE A 72 22.116 0.327 13.580 1.00 0.00 N ATOM 1072 CA ILE A 72 21.290 0.460 12.382 1.00 0.00 C ATOM 1073 C ILE A 72 22.107 -0.015 11.160 1.00 0.00 C ATOM 1074 O ILE A 72 23.340 0.021 11.230 1.00 0.00 O ATOM 1075 CB ILE A 72 20.771 1.910 12.219 1.00 0.00 C ATOM 1076 CG1 ILE A 72 21.903 2.961 12.171 1.00 0.00 C ATOM 1077 CG2 ILE A 72 19.741 2.259 13.312 1.00 0.00 C ATOM 1078 CD1 ILE A 72 21.406 4.342 11.739 1.00 0.00 C ATOM 0 H ILE A 72 23.098 0.546 13.413 1.00 0.00 H new ATOM 0 HA ILE A 72 20.404 -0.168 12.471 1.00 0.00 H new ATOM 0 HB ILE A 72 20.276 1.947 11.249 1.00 0.00 H new ATOM 0 HG12 ILE A 72 22.365 3.037 13.155 1.00 0.00 H new ATOM 0 HG13 ILE A 72 22.677 2.625 11.481 1.00 0.00 H new ATOM 0 HG21 ILE A 72 19.395 3.283 13.172 1.00 0.00 H new ATOM 0 HG22 ILE A 72 18.894 1.577 13.245 1.00 0.00 H new ATOM 0 HG23 ILE A 72 20.206 2.164 14.293 1.00 0.00 H new ATOM 0 HD11 ILE A 72 22.242 5.041 11.723 1.00 0.00 H new ATOM 0 HD12 ILE A 72 20.969 4.276 10.743 1.00 0.00 H new ATOM 0 HD13 ILE A 72 20.652 4.694 12.443 1.00 0.00 H new ATOM 1090 N PRO A 73 21.479 -0.450 10.047 1.00 0.00 N ATOM 1091 CA PRO A 73 20.042 -0.625 9.871 1.00 0.00 C ATOM 1092 C PRO A 73 19.537 -1.759 10.760 1.00 0.00 C ATOM 1093 O PRO A 73 20.177 -2.810 10.862 1.00 0.00 O ATOM 1094 CB PRO A 73 19.836 -0.958 8.389 1.00 0.00 C ATOM 1095 CG PRO A 73 21.158 -1.596 7.970 1.00 0.00 C ATOM 1096 CD PRO A 73 22.187 -0.892 8.854 1.00 0.00 C ATOM 0 HA PRO A 73 19.487 0.270 10.152 1.00 0.00 H new ATOM 0 HB2 PRO A 73 18.999 -1.641 8.245 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.621 -0.063 7.804 1.00 0.00 H new ATOM 0 HG2 PRO A 73 21.155 -2.673 8.137 1.00 0.00 H new ATOM 0 HG3 PRO A 73 21.363 -1.438 6.911 1.00 0.00 H new ATOM 0 HD2 PRO A 73 23.001 -1.569 9.115 1.00 0.00 H new ATOM 0 HD3 PRO A 73 22.632 -0.045 8.331 1.00 0.00 H new ATOM 1104 N THR A 74 18.374 -1.551 11.367 1.00 0.00 N ATOM 1105 CA THR A 74 17.703 -2.568 12.161 1.00 0.00 C ATOM 1106 C THR A 74 16.262 -2.630 11.672 1.00 0.00 C ATOM 1107 O THR A 74 15.660 -1.612 11.329 1.00 0.00 O ATOM 1108 CB THR A 74 17.870 -2.256 13.658 1.00 0.00 C ATOM 1109 OG1 THR A 74 19.226 -2.431 14.005 1.00 0.00 O ATOM 1110 CG2 THR A 74 17.043 -3.181 14.555 1.00 0.00 C ATOM 0 H THR A 74 17.869 -0.666 11.320 1.00 0.00 H new ATOM 0 HA THR A 74 18.137 -3.561 12.039 1.00 0.00 H new ATOM 0 HB THR A 74 17.527 -1.233 13.813 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.650 -1.555 14.121 1.00 0.00 H new ATOM 0 HG21 THR A 74 17.202 -2.913 15.599 1.00 0.00 H new ATOM 0 HG22 THR A 74 15.986 -3.076 14.310 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.351 -4.214 14.395 1.00 0.00 H new ATOM 1118 N LEU A 75 15.722 -3.841 11.594 1.00 0.00 N ATOM 1119 CA LEU A 75 14.457 -4.133 10.954 1.00 0.00 C ATOM 1120 C LEU A 75 13.560 -4.729 12.022 1.00 0.00 C ATOM 1121 O LEU A 75 13.939 -5.714 12.662 1.00 0.00 O ATOM 1122 CB LEU A 75 14.655 -5.118 9.790 1.00 0.00 C ATOM 1123 CG LEU A 75 15.599 -4.637 8.669 1.00 0.00 C ATOM 1124 CD1 LEU A 75 15.724 -5.740 7.612 1.00 0.00 C ATOM 1125 CD2 LEU A 75 15.147 -3.332 8.003 1.00 0.00 C ATOM 0 H LEU A 75 16.171 -4.668 11.988 1.00 0.00 H new ATOM 0 HA LEU A 75 14.011 -3.232 10.532 1.00 0.00 H new ATOM 0 HB2 LEU A 75 15.042 -6.055 10.191 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.681 -5.337 9.352 1.00 0.00 H new ATOM 0 HG LEU A 75 16.563 -4.426 9.133 1.00 0.00 H new ATOM 0 HD11 LEU A 75 16.390 -5.407 6.816 1.00 0.00 H new ATOM 0 HD12 LEU A 75 16.130 -6.641 8.072 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.741 -5.958 7.195 1.00 0.00 H new ATOM 0 HD21 LEU A 75 15.859 -3.055 7.225 1.00 0.00 H new ATOM 0 HD22 LEU A 75 14.161 -3.472 7.560 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.100 -2.540 8.750 1.00 0.00 H new ATOM 1137 N LEU A 76 12.383 -4.145 12.221 1.00 0.00 N ATOM 1138 CA LEU A 76 11.396 -4.648 13.170 1.00 0.00 C ATOM 1139 C LEU A 76 10.237 -5.064 12.293 1.00 0.00 C ATOM 1140 O LEU A 76 9.695 -4.242 11.556 1.00 0.00 O ATOM 1141 CB LEU A 76 10.975 -3.572 14.194 1.00 0.00 C ATOM 1142 CG LEU A 76 11.862 -3.398 15.447 1.00 0.00 C ATOM 1143 CD1 LEU A 76 11.723 -4.603 16.383 1.00 0.00 C ATOM 1144 CD2 LEU A 76 13.335 -3.173 15.106 1.00 0.00 C ATOM 0 H LEU A 76 12.085 -3.305 11.726 1.00 0.00 H new ATOM 0 HA LEU A 76 11.783 -5.467 13.776 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.931 -2.614 13.677 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.963 -3.801 14.527 1.00 0.00 H new ATOM 0 HG LEU A 76 11.505 -2.500 15.952 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.356 -4.459 17.258 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.684 -4.701 16.699 1.00 0.00 H new ATOM 0 HD13 LEU A 76 12.029 -5.508 15.859 1.00 0.00 H new ATOM 0 HD21 LEU A 76 13.908 -3.058 16.026 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.714 -4.029 14.547 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.435 -2.272 14.501 1.00 0.00 H new ATOM 1156 N VAL A 77 9.875 -6.338 12.337 1.00 0.00 N ATOM 1157 CA VAL A 77 8.680 -6.816 11.670 1.00 0.00 C ATOM 1158 C VAL A 77 7.608 -6.678 12.737 1.00 0.00 C ATOM 1159 O VAL A 77 7.757 -7.233 13.831 1.00 0.00 O ATOM 1160 CB VAL A 77 8.831 -8.269 11.177 1.00 0.00 C ATOM 1161 CG1 VAL A 77 7.733 -8.587 10.150 1.00 0.00 C ATOM 1162 CG2 VAL A 77 10.193 -8.554 10.525 1.00 0.00 C ATOM 0 H VAL A 77 10.398 -7.061 12.832 1.00 0.00 H new ATOM 0 HA VAL A 77 8.447 -6.255 10.765 1.00 0.00 H new ATOM 0 HB VAL A 77 8.746 -8.899 12.062 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.844 -9.615 9.805 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.754 -8.464 10.614 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.820 -7.908 9.302 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.231 -9.594 10.201 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.328 -7.901 9.663 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.988 -8.370 11.248 1.00 0.00 H new ATOM 1172 N LEU A 78 6.544 -5.939 12.445 1.00 0.00 N ATOM 1173 CA LEU A 78 5.389 -5.822 13.313 1.00 0.00 C ATOM 1174 C LEU A 78 4.216 -6.451 12.580 1.00 0.00 C ATOM 1175 O LEU A 78 4.203 -6.520 11.349 1.00 0.00 O ATOM 1176 CB LEU A 78 5.097 -4.357 13.703 1.00 0.00 C ATOM 1177 CG LEU A 78 6.177 -3.730 14.615 1.00 0.00 C ATOM 1178 CD1 LEU A 78 7.244 -2.977 13.814 1.00 0.00 C ATOM 1179 CD2 LEU A 78 5.568 -2.780 15.652 1.00 0.00 C ATOM 0 H LEU A 78 6.463 -5.398 11.584 1.00 0.00 H new ATOM 0 HA LEU A 78 5.576 -6.338 14.255 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.008 -3.759 12.796 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.134 -4.310 14.211 1.00 0.00 H new ATOM 0 HG LEU A 78 6.650 -4.566 15.131 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.981 -2.554 14.497 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.738 -3.666 13.129 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.774 -2.175 13.246 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.361 -2.361 16.272 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.042 -1.973 15.142 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.867 -3.329 16.281 1.00 0.00 H new ATOM 1191 N LYS A 79 3.218 -6.898 13.331 1.00 0.00 N ATOM 1192 CA LYS A 79 1.971 -7.398 12.788 1.00 0.00 C ATOM 1193 C LYS A 79 0.864 -6.840 13.659 1.00 0.00 C ATOM 1194 O LYS A 79 0.870 -7.054 14.870 1.00 0.00 O ATOM 1195 CB LYS A 79 1.987 -8.934 12.739 1.00 0.00 C ATOM 1196 CG LYS A 79 0.730 -9.474 12.049 1.00 0.00 C ATOM 1197 CD LYS A 79 0.768 -10.997 11.877 1.00 0.00 C ATOM 1198 CE LYS A 79 -0.524 -11.456 11.185 1.00 0.00 C ATOM 1199 NZ LYS A 79 -0.498 -12.900 10.850 1.00 0.00 N ATOM 0 H LYS A 79 3.257 -6.922 14.350 1.00 0.00 H new ATOM 0 HA LYS A 79 1.814 -7.077 11.758 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.874 -9.275 12.206 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.051 -9.333 13.751 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.149 -9.199 12.632 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.624 -9.003 11.072 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.636 -11.287 11.284 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.868 -11.483 12.848 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.375 -11.251 11.835 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.672 -10.876 10.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.390 -13.165 10.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.298 -13.093 10.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.384 -13.456 11.721 1.00 0.00 H new ATOM 1213 N ASP A 80 -0.068 -6.121 13.034 1.00 0.00 N ATOM 1214 CA ASP A 80 -1.261 -5.555 13.670 1.00 0.00 C ATOM 1215 C ASP A 80 -0.929 -4.779 14.960 1.00 0.00 C ATOM 1216 O ASP A 80 -1.655 -4.836 15.955 1.00 0.00 O ATOM 1217 CB ASP A 80 -2.326 -6.651 13.850 1.00 0.00 C ATOM 1218 CG ASP A 80 -3.680 -6.090 14.322 1.00 0.00 C ATOM 1219 OD1 ASP A 80 -4.152 -5.073 13.765 1.00 0.00 O ATOM 1220 OD2 ASP A 80 -4.315 -6.702 15.212 1.00 0.00 O ATOM 0 H ASP A 80 -0.013 -5.909 12.038 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.689 -4.800 13.010 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.464 -7.177 12.905 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.969 -7.384 14.573 1.00 0.00 H new ATOM 1225 N GLY A 81 0.205 -4.070 14.954 1.00 0.00 N ATOM 1226 CA GLY A 81 0.567 -3.097 15.979 1.00 0.00 C ATOM 1227 C GLY A 81 1.622 -3.568 16.980 1.00 0.00 C ATOM 1228 O GLY A 81 2.036 -2.760 17.814 1.00 0.00 O ATOM 0 H GLY A 81 0.908 -4.162 14.220 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.932 -2.195 15.488 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.333 -2.819 16.528 1.00 0.00 H new ATOM 1232 N GLU A 82 2.081 -4.825 16.929 1.00 0.00 N ATOM 1233 CA GLU A 82 3.053 -5.366 17.876 1.00 0.00 C ATOM 1234 C GLU A 82 4.174 -6.087 17.128 1.00 0.00 C ATOM 1235 O GLU A 82 3.963 -6.561 16.013 1.00 0.00 O ATOM 1236 CB GLU A 82 2.318 -6.269 18.877 1.00 0.00 C ATOM 1237 CG GLU A 82 1.837 -7.620 18.324 1.00 0.00 C ATOM 1238 CD GLU A 82 1.102 -8.434 19.404 1.00 0.00 C ATOM 1239 OE1 GLU A 82 -0.137 -8.308 19.538 1.00 0.00 O ATOM 1240 OE2 GLU A 82 1.752 -9.223 20.129 1.00 0.00 O ATOM 0 H GLU A 82 1.783 -5.497 16.222 1.00 0.00 H new ATOM 0 HA GLU A 82 3.530 -4.565 18.440 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.980 -6.458 19.722 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.455 -5.726 19.263 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.173 -7.453 17.476 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.690 -8.189 17.954 1.00 0.00 H new ATOM 1247 N VAL A 83 5.373 -6.153 17.713 1.00 0.00 N ATOM 1248 CA VAL A 83 6.518 -6.817 17.095 1.00 0.00 C ATOM 1249 C VAL A 83 6.198 -8.300 16.936 1.00 0.00 C ATOM 1250 O VAL A 83 5.724 -8.959 17.864 1.00 0.00 O ATOM 1251 CB VAL A 83 7.812 -6.568 17.899 1.00 0.00 C ATOM 1252 CG1 VAL A 83 9.038 -7.167 17.190 1.00 0.00 C ATOM 1253 CG2 VAL A 83 8.069 -5.065 18.084 1.00 0.00 C ATOM 0 H VAL A 83 5.575 -5.748 18.627 1.00 0.00 H new ATOM 0 HA VAL A 83 6.701 -6.397 16.106 1.00 0.00 H new ATOM 0 HB VAL A 83 7.670 -7.049 18.867 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.932 -6.974 17.783 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.903 -8.243 17.077 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.149 -6.710 16.207 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.987 -4.920 18.654 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.169 -4.590 17.108 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.234 -4.617 18.622 1.00 0.00 H new ATOM 1263 N VAL A 84 6.504 -8.812 15.748 1.00 0.00 N ATOM 1264 CA VAL A 84 6.374 -10.206 15.377 1.00 0.00 C ATOM 1265 C VAL A 84 7.754 -10.782 14.997 1.00 0.00 C ATOM 1266 O VAL A 84 7.932 -11.993 15.124 1.00 0.00 O ATOM 1267 CB VAL A 84 5.250 -10.328 14.317 1.00 0.00 C ATOM 1268 CG1 VAL A 84 5.705 -9.992 12.890 1.00 0.00 C ATOM 1269 CG2 VAL A 84 4.569 -11.698 14.355 1.00 0.00 C ATOM 0 H VAL A 84 6.865 -8.236 14.988 1.00 0.00 H new ATOM 0 HA VAL A 84 6.055 -10.835 16.208 1.00 0.00 H new ATOM 0 HB VAL A 84 4.519 -9.570 14.597 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.864 -10.100 12.205 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.071 -8.966 12.857 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.504 -10.671 12.593 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.788 -11.738 13.595 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.306 -12.476 14.159 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.127 -11.857 15.338 1.00 0.00 H new ATOM 1279 N GLU A 85 8.758 -9.957 14.635 1.00 0.00 N ATOM 1280 CA GLU A 85 10.150 -10.408 14.468 1.00 0.00 C ATOM 1281 C GLU A 85 11.118 -9.214 14.521 1.00 0.00 C ATOM 1282 O GLU A 85 10.694 -8.063 14.420 1.00 0.00 O ATOM 1283 CB GLU A 85 10.336 -11.172 13.133 1.00 0.00 C ATOM 1284 CG GLU A 85 10.744 -12.648 13.297 1.00 0.00 C ATOM 1285 CD GLU A 85 12.173 -12.853 13.836 1.00 0.00 C ATOM 1286 OE1 GLU A 85 12.505 -12.328 14.922 1.00 0.00 O ATOM 1287 OE2 GLU A 85 12.963 -13.586 13.198 1.00 0.00 O ATOM 0 H GLU A 85 8.624 -8.963 14.451 1.00 0.00 H new ATOM 0 HA GLU A 85 10.375 -11.087 15.290 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.404 -11.126 12.569 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.094 -10.662 12.539 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.040 -13.135 13.972 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.657 -13.147 12.332 1.00 0.00 H new ATOM 1294 N THR A 86 12.423 -9.487 14.607 1.00 0.00 N ATOM 1295 CA THR A 86 13.501 -8.501 14.533 1.00 0.00 C ATOM 1296 C THR A 86 14.609 -9.064 13.625 1.00 0.00 C ATOM 1297 O THR A 86 14.788 -10.281 13.534 1.00 0.00 O ATOM 1298 CB THR A 86 14.039 -8.215 15.952 1.00 0.00 C ATOM 1299 OG1 THR A 86 12.990 -8.008 16.881 1.00 0.00 O ATOM 1300 CG2 THR A 86 14.953 -6.984 16.010 1.00 0.00 C ATOM 0 H THR A 86 12.769 -10.438 14.735 1.00 0.00 H new ATOM 0 HA THR A 86 13.137 -7.562 14.116 1.00 0.00 H new ATOM 0 HB THR A 86 14.613 -9.104 16.214 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.368 -7.831 17.768 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.299 -6.835 17.033 1.00 0.00 H new ATOM 0 HG22 THR A 86 15.811 -7.137 15.356 1.00 0.00 H new ATOM 0 HG23 THR A 86 14.399 -6.104 15.683 1.00 0.00 H new ATOM 1308 N SER A 87 15.363 -8.200 12.944 1.00 0.00 N ATOM 1309 CA SER A 87 16.579 -8.534 12.205 1.00 0.00 C ATOM 1310 C SER A 87 17.499 -7.304 12.196 1.00 0.00 C ATOM 1311 O SER A 87 17.034 -6.185 12.412 1.00 0.00 O ATOM 1312 CB SER A 87 16.201 -8.975 10.786 1.00 0.00 C ATOM 1313 OG SER A 87 15.507 -10.209 10.822 1.00 0.00 O ATOM 0 H SER A 87 15.133 -7.208 12.891 1.00 0.00 H new ATOM 0 HA SER A 87 17.112 -9.359 12.678 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.579 -8.214 10.315 1.00 0.00 H new ATOM 0 HB3 SER A 87 17.100 -9.073 10.177 1.00 0.00 H new ATOM 0 HG SER A 87 15.285 -10.432 11.750 1.00 0.00 H new ATOM 1319 N VAL A 88 18.801 -7.486 11.964 1.00 0.00 N ATOM 1320 CA VAL A 88 19.793 -6.408 11.980 1.00 0.00 C ATOM 1321 C VAL A 88 20.679 -6.564 10.740 1.00 0.00 C ATOM 1322 O VAL A 88 20.923 -7.688 10.287 1.00 0.00 O ATOM 1323 CB VAL A 88 20.593 -6.453 13.305 1.00 0.00 C ATOM 1324 CG1 VAL A 88 21.572 -5.273 13.436 1.00 0.00 C ATOM 1325 CG2 VAL A 88 19.683 -6.445 14.549 1.00 0.00 C ATOM 0 H VAL A 88 19.202 -8.401 11.757 1.00 0.00 H new ATOM 0 HA VAL A 88 19.320 -5.427 11.940 1.00 0.00 H new ATOM 0 HB VAL A 88 21.145 -7.392 13.262 1.00 0.00 H new ATOM 0 HG11 VAL A 88 22.109 -5.349 14.381 1.00 0.00 H new ATOM 0 HG12 VAL A 88 22.284 -5.298 12.611 1.00 0.00 H new ATOM 0 HG13 VAL A 88 21.017 -4.335 13.409 1.00 0.00 H new ATOM 0 HG21 VAL A 88 20.297 -6.478 15.449 1.00 0.00 H new ATOM 0 HG22 VAL A 88 19.081 -5.537 14.553 1.00 0.00 H new ATOM 0 HG23 VAL A 88 19.027 -7.315 14.525 1.00 0.00 H new ATOM 1335 N GLY A 89 21.179 -5.453 10.196 1.00 0.00 N ATOM 1336 CA GLY A 89 22.104 -5.456 9.071 1.00 0.00 C ATOM 1337 C GLY A 89 21.402 -5.728 7.740 1.00 0.00 C ATOM 1338 O GLY A 89 20.172 -5.800 7.661 1.00 0.00 O ATOM 0 H GLY A 89 20.948 -4.518 10.531 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.613 -4.494 9.020 1.00 0.00 H new ATOM 0 HA3 GLY A 89 22.870 -6.214 9.236 1.00 0.00 H new ATOM 1342 N PHE A 90 22.201 -5.851 6.679 1.00 0.00 N ATOM 1343 CA PHE A 90 21.724 -6.105 5.323 1.00 0.00 C ATOM 1344 C PHE A 90 21.051 -7.482 5.227 1.00 0.00 C ATOM 1345 O PHE A 90 21.462 -8.429 5.906 1.00 0.00 O ATOM 1346 CB PHE A 90 22.916 -6.013 4.354 1.00 0.00 C ATOM 1347 CG PHE A 90 22.554 -6.181 2.889 1.00 0.00 C ATOM 1348 CD1 PHE A 90 22.542 -7.462 2.301 1.00 0.00 C ATOM 1349 CD2 PHE A 90 22.219 -5.056 2.110 1.00 0.00 C ATOM 1350 CE1 PHE A 90 22.177 -7.620 0.953 1.00 0.00 C ATOM 1351 CE2 PHE A 90 21.865 -5.213 0.759 1.00 0.00 C ATOM 1352 CZ PHE A 90 21.837 -6.496 0.181 1.00 0.00 C ATOM 0 H PHE A 90 23.216 -5.775 6.742 1.00 0.00 H new ATOM 0 HA PHE A 90 20.977 -5.358 5.056 1.00 0.00 H new ATOM 0 HB2 PHE A 90 23.401 -5.046 4.486 1.00 0.00 H new ATOM 0 HB3 PHE A 90 23.647 -6.776 4.624 1.00 0.00 H new ATOM 0 HD1 PHE A 90 22.815 -8.326 2.889 1.00 0.00 H new ATOM 0 HD2 PHE A 90 22.234 -4.071 2.552 1.00 0.00 H new ATOM 0 HE1 PHE A 90 22.158 -8.605 0.511 1.00 0.00 H new ATOM 0 HE2 PHE A 90 21.614 -4.348 0.163 1.00 0.00 H new ATOM 0 HZ PHE A 90 21.555 -6.617 -0.854 1.00 0.00 H new ATOM 1362 N LYS A 91 20.054 -7.610 4.346 1.00 0.00 N ATOM 1363 CA LYS A 91 19.459 -8.875 3.916 1.00 0.00 C ATOM 1364 C LYS A 91 19.020 -8.694 2.458 1.00 0.00 C ATOM 1365 O LYS A 91 18.540 -7.608 2.122 1.00 0.00 O ATOM 1366 CB LYS A 91 18.241 -9.278 4.774 1.00 0.00 C ATOM 1367 CG LYS A 91 18.619 -10.069 6.037 1.00 0.00 C ATOM 1368 CD LYS A 91 18.612 -9.234 7.326 1.00 0.00 C ATOM 1369 CE LYS A 91 19.376 -9.986 8.425 1.00 0.00 C ATOM 1370 NZ LYS A 91 20.837 -9.735 8.365 1.00 0.00 N ATOM 0 H LYS A 91 19.624 -6.802 3.896 1.00 0.00 H new ATOM 0 HA LYS A 91 20.196 -9.670 4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 91 17.698 -8.379 5.066 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.562 -9.878 4.168 1.00 0.00 H new ATOM 0 HG2 LYS A 91 17.925 -10.901 6.152 1.00 0.00 H new ATOM 0 HG3 LYS A 91 19.612 -10.498 5.900 1.00 0.00 H new ATOM 0 HD2 LYS A 91 19.074 -8.263 7.146 1.00 0.00 H new ATOM 0 HD3 LYS A 91 17.587 -9.045 7.645 1.00 0.00 H new ATOM 0 HE2 LYS A 91 18.997 -9.683 9.401 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.189 -11.055 8.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 21.349 -10.626 8.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 21.086 -9.356 7.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 21.102 -9.047 9.099 1.00 0.00 H new ATOM 1384 N PRO A 92 19.165 -9.718 1.598 1.00 0.00 N ATOM 1385 CA PRO A 92 18.689 -9.665 0.222 1.00 0.00 C ATOM 1386 C PRO A 92 17.159 -9.749 0.176 1.00 0.00 C ATOM 1387 O PRO A 92 16.516 -10.231 1.110 1.00 0.00 O ATOM 1388 CB PRO A 92 19.351 -10.857 -0.479 1.00 0.00 C ATOM 1389 CG PRO A 92 19.525 -11.876 0.646 1.00 0.00 C ATOM 1390 CD PRO A 92 19.808 -10.998 1.864 1.00 0.00 C ATOM 0 HA PRO A 92 18.947 -8.728 -0.271 1.00 0.00 H new ATOM 0 HB2 PRO A 92 18.727 -11.248 -1.283 1.00 0.00 H new ATOM 0 HB3 PRO A 92 20.307 -10.582 -0.923 1.00 0.00 H new ATOM 0 HG2 PRO A 92 18.629 -12.481 0.784 1.00 0.00 H new ATOM 0 HG3 PRO A 92 20.346 -12.564 0.444 1.00 0.00 H new ATOM 0 HD2 PRO A 92 19.411 -11.452 2.772 1.00 0.00 H new ATOM 0 HD3 PRO A 92 20.880 -10.872 2.013 1.00 0.00 H new ATOM 1398 N LYS A 93 16.570 -9.335 -0.951 1.00 0.00 N ATOM 1399 CA LYS A 93 15.117 -9.312 -1.150 1.00 0.00 C ATOM 1400 C LYS A 93 14.464 -10.679 -1.006 1.00 0.00 C ATOM 1401 O LYS A 93 13.302 -10.750 -0.614 1.00 0.00 O ATOM 1402 CB LYS A 93 14.762 -8.660 -2.497 1.00 0.00 C ATOM 1403 CG LYS A 93 15.372 -9.333 -3.740 1.00 0.00 C ATOM 1404 CD LYS A 93 15.348 -8.359 -4.924 1.00 0.00 C ATOM 1405 CE LYS A 93 15.844 -9.047 -6.200 1.00 0.00 C ATOM 1406 NZ LYS A 93 16.050 -8.087 -7.313 1.00 0.00 N ATOM 0 H LYS A 93 17.095 -9.003 -1.760 1.00 0.00 H new ATOM 0 HA LYS A 93 14.705 -8.702 -0.346 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.677 -8.655 -2.604 1.00 0.00 H new ATOM 0 HB3 LYS A 93 15.085 -7.619 -2.473 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.397 -9.641 -3.532 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.812 -10.235 -3.988 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.335 -7.987 -5.075 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.975 -7.495 -4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 93 16.780 -9.564 -5.991 1.00 0.00 H new ATOM 0 HE3 LYS A 93 15.123 -9.805 -6.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.950 -8.582 -8.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.342 -7.328 -7.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.003 -7.677 -7.246 1.00 0.00 H new ATOM 1420 N GLU A 94 15.174 -11.756 -1.326 1.00 0.00 N ATOM 1421 CA GLU A 94 14.669 -13.113 -1.146 1.00 0.00 C ATOM 1422 C GLU A 94 14.502 -13.414 0.348 1.00 0.00 C ATOM 1423 O GLU A 94 13.428 -13.831 0.778 1.00 0.00 O ATOM 1424 CB GLU A 94 15.607 -14.128 -1.819 1.00 0.00 C ATOM 1425 CG GLU A 94 15.629 -13.971 -3.346 1.00 0.00 C ATOM 1426 CD GLU A 94 16.513 -15.040 -4.013 1.00 0.00 C ATOM 1427 OE1 GLU A 94 16.001 -16.126 -4.368 1.00 0.00 O ATOM 1428 OE2 GLU A 94 17.726 -14.801 -4.209 1.00 0.00 O ATOM 0 H GLU A 94 16.115 -11.713 -1.717 1.00 0.00 H new ATOM 0 HA GLU A 94 13.692 -13.198 -1.622 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.617 -14.003 -1.428 1.00 0.00 H new ATOM 0 HB3 GLU A 94 15.289 -15.139 -1.564 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.613 -14.044 -3.734 1.00 0.00 H new ATOM 0 HG3 GLU A 94 15.999 -12.979 -3.605 1.00 0.00 H new ATOM 1435 N ALA A 95 15.534 -13.144 1.157 1.00 0.00 N ATOM 1436 CA ALA A 95 15.484 -13.369 2.597 1.00 0.00 C ATOM 1437 C ALA A 95 14.424 -12.478 3.244 1.00 0.00 C ATOM 1438 O ALA A 95 13.688 -12.923 4.124 1.00 0.00 O ATOM 1439 CB ALA A 95 16.860 -13.110 3.222 1.00 0.00 C ATOM 0 H ALA A 95 16.422 -12.765 0.828 1.00 0.00 H new ATOM 0 HA ALA A 95 15.211 -14.409 2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 95 16.809 -13.281 4.297 1.00 0.00 H new ATOM 0 HB2 ALA A 95 17.593 -13.786 2.781 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.157 -12.079 3.033 1.00 0.00 H new ATOM 1445 N LEU A 96 14.321 -11.228 2.789 1.00 0.00 N ATOM 1446 CA LEU A 96 13.317 -10.290 3.268 1.00 0.00 C ATOM 1447 C LEU A 96 11.909 -10.780 2.950 1.00 0.00 C ATOM 1448 O LEU A 96 11.043 -10.727 3.818 1.00 0.00 O ATOM 1449 CB LEU A 96 13.538 -8.910 2.647 1.00 0.00 C ATOM 1450 CG LEU A 96 14.778 -8.161 3.175 1.00 0.00 C ATOM 1451 CD1 LEU A 96 15.056 -6.938 2.298 1.00 0.00 C ATOM 1452 CD2 LEU A 96 14.601 -7.714 4.631 1.00 0.00 C ATOM 0 H LEU A 96 14.937 -10.841 2.074 1.00 0.00 H new ATOM 0 HA LEU A 96 13.419 -10.217 4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.630 -9.022 1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 96 12.655 -8.298 2.830 1.00 0.00 H new ATOM 0 HG LEU A 96 15.620 -8.852 3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 96 15.933 -6.412 2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 96 15.239 -7.259 1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 96 14.195 -6.270 2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.498 -7.191 4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 96 13.743 -7.046 4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 96 14.436 -8.587 5.262 1.00 0.00 H new ATOM 1464 N GLN A 97 11.674 -11.289 1.740 1.00 0.00 N ATOM 1465 CA GLN A 97 10.380 -11.855 1.388 1.00 0.00 C ATOM 1466 C GLN A 97 10.044 -13.005 2.324 1.00 0.00 C ATOM 1467 O GLN A 97 8.908 -13.093 2.775 1.00 0.00 O ATOM 1468 CB GLN A 97 10.353 -12.355 -0.068 1.00 0.00 C ATOM 1469 CG GLN A 97 9.986 -11.259 -1.070 1.00 0.00 C ATOM 1470 CD GLN A 97 10.342 -11.665 -2.497 1.00 0.00 C ATOM 1471 OE1 GLN A 97 9.518 -12.183 -3.245 1.00 0.00 O ATOM 1472 NE2 GLN A 97 11.586 -11.442 -2.891 1.00 0.00 N ATOM 0 H GLN A 97 12.365 -11.319 0.991 1.00 0.00 H new ATOM 0 HA GLN A 97 9.637 -11.064 1.489 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.331 -12.762 -0.325 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.636 -13.172 -0.153 1.00 0.00 H new ATOM 0 HG2 GLN A 97 8.918 -11.048 -1.006 1.00 0.00 H new ATOM 0 HG3 GLN A 97 10.509 -10.338 -0.811 1.00 0.00 H new ATOM 0 HE21 GLN A 97 12.254 -11.010 -2.252 1.00 0.00 H new ATOM 0 HE22 GLN A 97 11.877 -11.702 -3.833 1.00 0.00 H new ATOM 1481 N GLU A 98 11.007 -13.864 2.650 1.00 0.00 N ATOM 1482 CA GLU A 98 10.758 -14.996 3.537 1.00 0.00 C ATOM 1483 C GLU A 98 10.438 -14.517 4.957 1.00 0.00 C ATOM 1484 O GLU A 98 9.540 -15.053 5.610 1.00 0.00 O ATOM 1485 CB GLU A 98 11.942 -15.977 3.535 1.00 0.00 C ATOM 1486 CG GLU A 98 12.023 -16.778 2.228 1.00 0.00 C ATOM 1487 CD GLU A 98 13.146 -17.828 2.280 1.00 0.00 C ATOM 1488 OE1 GLU A 98 14.319 -17.499 1.990 1.00 0.00 O ATOM 1489 OE2 GLU A 98 12.865 -19.007 2.598 1.00 0.00 O ATOM 0 H GLU A 98 11.967 -13.797 2.313 1.00 0.00 H new ATOM 0 HA GLU A 98 9.887 -15.532 3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.871 -15.425 3.680 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.845 -16.664 4.376 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.069 -17.272 2.043 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.197 -16.099 1.394 1.00 0.00 H new ATOM 1496 N LEU A 99 11.131 -13.475 5.422 1.00 0.00 N ATOM 1497 CA LEU A 99 10.913 -12.843 6.708 1.00 0.00 C ATOM 1498 C LEU A 99 9.507 -12.239 6.791 1.00 0.00 C ATOM 1499 O LEU A 99 8.884 -12.316 7.845 1.00 0.00 O ATOM 1500 CB LEU A 99 12.023 -11.796 6.893 1.00 0.00 C ATOM 1501 CG LEU A 99 11.902 -10.964 8.172 1.00 0.00 C ATOM 1502 CD1 LEU A 99 12.006 -11.834 9.429 1.00 0.00 C ATOM 1503 CD2 LEU A 99 13.000 -9.897 8.174 1.00 0.00 C ATOM 0 H LEU A 99 11.883 -13.039 4.889 1.00 0.00 H new ATOM 0 HA LEU A 99 10.964 -13.570 7.519 1.00 0.00 H new ATOM 0 HB2 LEU A 99 12.988 -12.304 6.894 1.00 0.00 H new ATOM 0 HB3 LEU A 99 12.018 -11.124 6.035 1.00 0.00 H new ATOM 0 HG LEU A 99 10.919 -10.493 8.188 1.00 0.00 H new ATOM 0 HD11 LEU A 99 11.915 -11.206 10.315 1.00 0.00 H new ATOM 0 HD12 LEU A 99 11.206 -12.575 9.426 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.971 -12.342 9.441 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.923 -9.298 9.081 1.00 0.00 H new ATOM 0 HD22 LEU A 99 13.977 -10.380 8.139 1.00 0.00 H new ATOM 0 HD23 LEU A 99 12.883 -9.253 7.303 1.00 0.00 H new ATOM 1515 N VAL A 100 8.975 -11.678 5.704 1.00 0.00 N ATOM 1516 CA VAL A 100 7.586 -11.235 5.639 1.00 0.00 C ATOM 1517 C VAL A 100 6.657 -12.460 5.618 1.00 0.00 C ATOM 1518 O VAL A 100 5.701 -12.547 6.391 1.00 0.00 O ATOM 1519 CB VAL A 100 7.391 -10.360 4.380 1.00 0.00 C ATOM 1520 CG1 VAL A 100 5.930 -9.917 4.199 1.00 0.00 C ATOM 1521 CG2 VAL A 100 8.277 -9.103 4.370 1.00 0.00 C ATOM 0 H VAL A 100 9.498 -11.519 4.843 1.00 0.00 H new ATOM 0 HA VAL A 100 7.338 -10.637 6.516 1.00 0.00 H new ATOM 0 HB VAL A 100 7.688 -11.006 3.554 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.844 -9.305 3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.293 -10.796 4.101 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.616 -9.336 5.066 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.091 -8.534 3.459 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.043 -8.486 5.238 1.00 0.00 H new ATOM 0 HG23 VAL A 100 9.326 -9.397 4.406 1.00 0.00 H new ATOM 1531 N ASN A 101 6.956 -13.418 4.737 1.00 0.00 N ATOM 1532 CA ASN A 101 6.099 -14.541 4.370 1.00 0.00 C ATOM 1533 C ASN A 101 5.695 -15.364 5.582 1.00 0.00 C ATOM 1534 O ASN A 101 4.535 -15.751 5.704 1.00 0.00 O ATOM 1535 CB ASN A 101 6.818 -15.436 3.350 1.00 0.00 C ATOM 1536 CG ASN A 101 5.908 -16.535 2.818 1.00 0.00 C ATOM 1537 OD1 ASN A 101 5.716 -17.571 3.447 1.00 0.00 O ATOM 1538 ND2 ASN A 101 5.351 -16.335 1.636 1.00 0.00 N ATOM 0 H ASN A 101 7.846 -13.429 4.238 1.00 0.00 H new ATOM 0 HA ASN A 101 5.191 -14.133 3.927 1.00 0.00 H new ATOM 0 HB2 ASN A 101 7.175 -14.826 2.520 1.00 0.00 H new ATOM 0 HB3 ASN A 101 7.695 -15.885 3.816 1.00 0.00 H new ATOM 0 HD21 ASN A 101 4.748 -17.050 1.229 1.00 0.00 H new ATOM 0 HD22 ASN A 101 5.525 -15.466 1.131 1.00 0.00 H new ATOM 1545 N LYS A 102 6.635 -15.585 6.505 1.00 0.00 N ATOM 1546 CA LYS A 102 6.406 -16.425 7.680 1.00 0.00 C ATOM 1547 C LYS A 102 5.395 -15.830 8.671 1.00 0.00 C ATOM 1548 O LYS A 102 5.022 -16.517 9.622 1.00 0.00 O ATOM 1549 CB LYS A 102 7.747 -16.789 8.339 1.00 0.00 C ATOM 1550 CG LYS A 102 8.491 -15.581 8.926 1.00 0.00 C ATOM 1551 CD LYS A 102 9.829 -15.941 9.588 1.00 0.00 C ATOM 1552 CE LYS A 102 10.842 -16.501 8.576 1.00 0.00 C ATOM 1553 NZ LYS A 102 12.155 -16.801 9.203 1.00 0.00 N ATOM 0 H LYS A 102 7.573 -15.187 6.458 1.00 0.00 H new ATOM 0 HA LYS A 102 5.936 -17.346 7.336 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.567 -17.515 9.132 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.385 -17.275 7.601 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.672 -14.856 8.132 1.00 0.00 H new ATOM 0 HG3 LYS A 102 7.851 -15.094 9.662 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.247 -15.055 10.066 1.00 0.00 H new ATOM 0 HD3 LYS A 102 9.658 -16.676 10.374 1.00 0.00 H new ATOM 0 HE2 LYS A 102 10.440 -17.409 8.127 1.00 0.00 H new ATOM 0 HE3 LYS A 102 10.983 -15.782 7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 12.806 -17.176 8.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.553 -15.930 9.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 12.027 -17.507 9.956 1.00 0.00 H new ATOM 1567 N HIS A 103 4.931 -14.594 8.452 1.00 0.00 N ATOM 1568 CA HIS A 103 3.931 -13.929 9.285 1.00 0.00 C ATOM 1569 C HIS A 103 2.679 -13.529 8.499 1.00 0.00 C ATOM 1570 O HIS A 103 1.707 -13.086 9.116 1.00 0.00 O ATOM 1571 CB HIS A 103 4.552 -12.699 9.959 1.00 0.00 C ATOM 1572 CG HIS A 103 5.782 -13.017 10.766 1.00 0.00 C ATOM 1573 ND1 HIS A 103 5.851 -13.798 11.898 1.00 0.00 N ATOM 1574 CD2 HIS A 103 7.053 -12.601 10.483 1.00 0.00 C ATOM 1575 CE1 HIS A 103 7.133 -13.830 12.299 1.00 0.00 C ATOM 1576 NE2 HIS A 103 7.907 -13.116 11.463 1.00 0.00 N ATOM 0 H HIS A 103 5.250 -14.018 7.673 1.00 0.00 H new ATOM 0 HA HIS A 103 3.611 -14.645 10.043 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.808 -11.965 9.195 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.809 -12.236 10.609 1.00 0.00 H new ATOM 0 HD1 HIS A 103 5.068 -14.269 12.352 1.00 0.00 H new ATOM 0 HD2 HIS A 103 7.346 -11.982 9.648 1.00 0.00 H new ATOM 0 HE1 HIS A 103 7.492 -14.356 13.171 1.00 0.00 H new ATOM 1584 N LEU A 104 2.671 -13.667 7.168 1.00 0.00 N ATOM 1585 CA LEU A 104 1.479 -13.435 6.361 1.00 0.00 C ATOM 1586 C LEU A 104 0.390 -14.415 6.784 1.00 0.00 C ATOM 1587 O LEU A 104 -0.771 -13.981 6.928 1.00 0.00 O ATOM 1588 CB LEU A 104 1.778 -13.582 4.858 1.00 0.00 C ATOM 1589 CG LEU A 104 2.668 -12.482 4.250 1.00 0.00 C ATOM 1590 CD1 LEU A 104 2.839 -12.741 2.751 1.00 0.00 C ATOM 1591 CD2 LEU A 104 2.103 -11.072 4.456 1.00 0.00 C ATOM 1592 OXT LEU A 104 0.683 -15.619 6.944 1.00 0.00 O ATOM 0 H LEU A 104 3.490 -13.942 6.626 1.00 0.00 H new ATOM 0 HA LEU A 104 1.140 -12.412 6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.258 -14.546 4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.832 -13.600 4.317 1.00 0.00 H new ATOM 0 HG LEU A 104 3.627 -12.524 4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.469 -11.964 2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.307 -13.714 2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.863 -12.730 2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.775 -10.341 4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.122 -11.001 3.986 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.010 -10.870 5.523 1.00 0.00 H new