USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=19 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 180:sc= 0 USER MOD Set 1.2: A 10 SER OG : rot 180:sc= 0.513 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 1.05 K(o=1,f=-0.029) USER MOD Single : A 12 SER OG : rot 180:sc= 0.00154 USER MOD Single : A 15 THR OG1 : rot -87:sc= 1.36 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 162:sc= 1.59 (180deg=1.21) USER MOD Single : A 34 MET CE :methyl -158:sc= -0.0707 (180deg=-0.295) USER MOD Single : A 44 GLN : amide:sc= 0.21 X(o=0.21,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc=-0.00977 (180deg=-0.00977) USER MOD Single : A 49 LYS NZ :NH3+ -167:sc= 1.32 (180deg=1.15) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 3.61 (180deg=3.61) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 1.37 K(o=1.4,f=-5.3!) USER MOD Single : A 61 GLN : amide:sc= 1.11 K(o=1.1,f=-0.037) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0254 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -130:sc= 0.297 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 137:sc= 1.29 USER MOD Single : A 79 LYS NZ :NH3+ 178:sc= 1.19 (180deg=1.13) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 8:sc= 0.437 USER MOD Single : A 91 LYS NZ :NH3+ -178:sc= 1.18 (180deg=1.18) USER MOD Single : A 93 LYS NZ :NH3+ -159:sc= 1.24 (180deg=1.04) USER MOD Single : A 97 GLN : amide:sc= 0.548 K(o=0.55,f=0) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 102 LYS NZ :NH3+ 178:sc= 1.22 (180deg=1.17) USER MOD Single : A 103 HIS : no HE2:sc= -0.0374 K(o=-0.037,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 30 N ILE A 3 6.205 2.159 0.870 1.00 0.00 N ATOM 31 CA ILE A 3 7.095 2.653 1.917 1.00 0.00 C ATOM 32 C ILE A 3 6.474 3.947 2.473 1.00 0.00 C ATOM 33 O ILE A 3 5.890 4.740 1.729 1.00 0.00 O ATOM 34 CB ILE A 3 8.512 2.879 1.341 1.00 0.00 C ATOM 35 CG1 ILE A 3 9.127 1.563 0.803 1.00 0.00 C ATOM 36 CG2 ILE A 3 9.482 3.476 2.379 1.00 0.00 C ATOM 37 CD1 ILE A 3 9.860 1.788 -0.517 1.00 0.00 C ATOM 0 HA ILE A 3 7.202 1.932 2.727 1.00 0.00 H new ATOM 0 HB ILE A 3 8.383 3.590 0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 3 9.819 1.155 1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.339 0.823 0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 3 10.462 3.615 1.923 1.00 0.00 H new ATOM 0 HG22 ILE A 3 9.102 4.438 2.721 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.569 2.798 3.228 1.00 0.00 H new ATOM 0 HD11 ILE A 3 10.279 0.844 -0.866 1.00 0.00 H new ATOM 0 HD12 ILE A 3 9.161 2.172 -1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.664 2.509 -0.369 1.00 0.00 H new ATOM 49 N VAL A 4 6.626 4.162 3.777 1.00 0.00 N ATOM 50 CA VAL A 4 6.033 5.235 4.565 1.00 0.00 C ATOM 51 C VAL A 4 7.107 5.708 5.561 1.00 0.00 C ATOM 52 O VAL A 4 8.112 5.024 5.788 1.00 0.00 O ATOM 53 CB VAL A 4 4.742 4.702 5.248 1.00 0.00 C ATOM 54 CG1 VAL A 4 3.975 5.761 6.053 1.00 0.00 C ATOM 55 CG2 VAL A 4 3.745 4.104 4.236 1.00 0.00 C ATOM 0 H VAL A 4 7.207 3.548 4.349 1.00 0.00 H new ATOM 0 HA VAL A 4 5.729 6.090 3.961 1.00 0.00 H new ATOM 0 HB VAL A 4 5.117 3.936 5.927 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.088 5.309 6.497 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.616 6.153 6.842 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.675 6.574 5.392 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.861 3.746 4.764 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.453 4.869 3.517 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.215 3.273 3.710 1.00 0.00 H new ATOM 65 N LYS A 5 6.903 6.882 6.158 1.00 0.00 N ATOM 66 CA LYS A 5 7.754 7.465 7.196 1.00 0.00 C ATOM 67 C LYS A 5 6.926 7.509 8.478 1.00 0.00 C ATOM 68 O LYS A 5 5.715 7.729 8.411 1.00 0.00 O ATOM 69 CB LYS A 5 8.148 8.890 6.769 1.00 0.00 C ATOM 70 CG LYS A 5 9.198 9.591 7.654 1.00 0.00 C ATOM 71 CD LYS A 5 10.602 8.963 7.626 1.00 0.00 C ATOM 72 CE LYS A 5 11.198 8.833 6.214 1.00 0.00 C ATOM 73 NZ LYS A 5 11.429 10.149 5.556 1.00 0.00 N ATOM 0 H LYS A 5 6.109 7.477 5.923 1.00 0.00 H new ATOM 0 HA LYS A 5 8.662 6.883 7.350 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.529 8.851 5.748 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.248 9.505 6.750 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.277 10.632 7.341 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.839 9.594 8.683 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.272 9.567 8.238 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.556 7.975 8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.142 8.292 6.273 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.527 8.237 5.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.831 9.998 4.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.526 10.658 5.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.091 10.711 6.127 1.00 0.00 H new ATOM 87 N ALA A 6 7.563 7.352 9.634 1.00 0.00 N ATOM 88 CA ALA A 6 6.901 7.460 10.930 1.00 0.00 C ATOM 89 C ALA A 6 7.854 8.038 11.971 1.00 0.00 C ATOM 90 O ALA A 6 9.066 8.117 11.753 1.00 0.00 O ATOM 91 CB ALA A 6 6.401 6.080 11.375 1.00 0.00 C ATOM 0 H ALA A 6 8.560 7.145 9.699 1.00 0.00 H new ATOM 0 HA ALA A 6 6.049 8.133 10.834 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.908 6.167 12.343 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.694 5.695 10.640 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.246 5.396 11.458 1.00 0.00 H new ATOM 97 N THR A 7 7.290 8.392 13.121 1.00 0.00 N ATOM 98 CA THR A 7 7.994 8.790 14.330 1.00 0.00 C ATOM 99 C THR A 7 7.326 8.094 15.515 1.00 0.00 C ATOM 100 O THR A 7 6.292 7.449 15.351 1.00 0.00 O ATOM 101 CB THR A 7 7.939 10.320 14.505 1.00 0.00 C ATOM 102 OG1 THR A 7 6.610 10.805 14.419 1.00 0.00 O ATOM 103 CG2 THR A 7 8.805 11.066 13.487 1.00 0.00 C ATOM 0 H THR A 7 6.277 8.409 13.239 1.00 0.00 H new ATOM 0 HA THR A 7 9.043 8.501 14.267 1.00 0.00 H new ATOM 0 HB THR A 7 8.338 10.514 15.501 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.609 11.778 14.536 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.726 12.139 13.659 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.844 10.756 13.597 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.462 10.834 12.479 1.00 0.00 H new ATOM 111 N ASP A 8 7.856 8.293 16.720 1.00 0.00 N ATOM 112 CA ASP A 8 7.245 7.896 17.988 1.00 0.00 C ATOM 113 C ASP A 8 5.738 8.196 18.044 1.00 0.00 C ATOM 114 O ASP A 8 4.965 7.405 18.585 1.00 0.00 O ATOM 115 CB ASP A 8 7.963 8.634 19.130 1.00 0.00 C ATOM 116 CG ASP A 8 7.141 8.624 20.429 1.00 0.00 C ATOM 117 OD1 ASP A 8 7.218 7.640 21.198 1.00 0.00 O ATOM 118 OD2 ASP A 8 6.429 9.623 20.684 1.00 0.00 O ATOM 0 H ASP A 8 8.758 8.753 16.845 1.00 0.00 H new ATOM 0 HA ASP A 8 7.354 6.816 18.088 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.932 8.168 19.310 1.00 0.00 H new ATOM 0 HB3 ASP A 8 8.156 9.664 18.831 1.00 0.00 H new ATOM 123 N GLN A 9 5.324 9.331 17.471 1.00 0.00 N ATOM 124 CA GLN A 9 3.954 9.814 17.530 1.00 0.00 C ATOM 125 C GLN A 9 2.998 9.020 16.629 1.00 0.00 C ATOM 126 O GLN A 9 1.802 8.964 16.920 1.00 0.00 O ATOM 127 CB GLN A 9 3.942 11.298 17.140 1.00 0.00 C ATOM 128 CG GLN A 9 4.692 12.177 18.157 1.00 0.00 C ATOM 129 CD GLN A 9 3.956 12.281 19.497 1.00 0.00 C ATOM 130 OE1 GLN A 9 2.997 13.037 19.636 1.00 0.00 O ATOM 131 NE2 GLN A 9 4.366 11.537 20.513 1.00 0.00 N ATOM 0 H GLN A 9 5.947 9.945 16.946 1.00 0.00 H new ATOM 0 HA GLN A 9 3.594 9.678 18.550 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.397 11.416 16.156 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.911 11.641 17.058 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.687 11.766 18.324 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.825 13.176 17.741 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.162 10.910 20.397 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.886 11.591 21.411 1.00 0.00 H new ATOM 140 N SER A 10 3.503 8.407 15.556 1.00 0.00 N ATOM 141 CA SER A 10 2.699 7.807 14.495 1.00 0.00 C ATOM 142 C SER A 10 2.967 6.313 14.281 1.00 0.00 C ATOM 143 O SER A 10 2.114 5.617 13.730 1.00 0.00 O ATOM 144 CB SER A 10 2.957 8.614 13.218 1.00 0.00 C ATOM 145 OG SER A 10 4.346 8.812 12.978 1.00 0.00 O ATOM 0 H SER A 10 4.507 8.313 15.399 1.00 0.00 H new ATOM 0 HA SER A 10 1.649 7.851 14.784 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.513 8.096 12.367 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.462 9.582 13.296 1.00 0.00 H new ATOM 0 HG SER A 10 4.465 9.329 12.154 1.00 0.00 H new ATOM 151 N PHE A 11 4.112 5.798 14.737 1.00 0.00 N ATOM 152 CA PHE A 11 4.578 4.444 14.460 1.00 0.00 C ATOM 153 C PHE A 11 3.531 3.393 14.830 1.00 0.00 C ATOM 154 O PHE A 11 3.233 2.509 14.027 1.00 0.00 O ATOM 155 CB PHE A 11 5.896 4.216 15.213 1.00 0.00 C ATOM 156 CG PHE A 11 6.600 2.924 14.870 1.00 0.00 C ATOM 157 CD1 PHE A 11 7.453 2.879 13.752 1.00 0.00 C ATOM 158 CD2 PHE A 11 6.430 1.779 15.671 1.00 0.00 C ATOM 159 CE1 PHE A 11 8.138 1.697 13.437 1.00 0.00 C ATOM 160 CE2 PHE A 11 7.115 0.595 15.350 1.00 0.00 C ATOM 161 CZ PHE A 11 7.968 0.552 14.235 1.00 0.00 C ATOM 0 H PHE A 11 4.755 6.329 15.325 1.00 0.00 H new ATOM 0 HA PHE A 11 4.747 4.337 13.389 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.568 5.048 15.003 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.695 4.232 16.284 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.580 3.757 13.135 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.775 1.811 16.529 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.796 1.666 12.581 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.985 -0.285 15.963 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.493 -0.360 13.991 1.00 0.00 H new ATOM 171 N SER A 12 2.921 3.513 16.008 1.00 0.00 N ATOM 172 CA SER A 12 1.950 2.549 16.508 1.00 0.00 C ATOM 173 C SER A 12 0.665 2.504 15.669 1.00 0.00 C ATOM 174 O SER A 12 -0.023 1.484 15.669 1.00 0.00 O ATOM 175 CB SER A 12 1.630 2.882 17.972 1.00 0.00 C ATOM 176 OG SER A 12 2.822 3.137 18.705 1.00 0.00 O ATOM 0 H SER A 12 3.091 4.291 16.646 1.00 0.00 H new ATOM 0 HA SER A 12 2.393 1.556 16.433 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.977 3.754 18.017 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.088 2.054 18.428 1.00 0.00 H new ATOM 0 HG SER A 12 2.595 3.349 19.635 1.00 0.00 H new ATOM 182 N ALA A 13 0.342 3.588 14.950 1.00 0.00 N ATOM 183 CA ALA A 13 -0.806 3.664 14.062 1.00 0.00 C ATOM 184 C ALA A 13 -0.443 3.234 12.642 1.00 0.00 C ATOM 185 O ALA A 13 -1.296 2.728 11.912 1.00 0.00 O ATOM 186 CB ALA A 13 -1.368 5.090 14.063 1.00 0.00 C ATOM 0 H ALA A 13 0.888 4.449 14.976 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.568 2.976 14.429 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.228 5.142 13.396 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.675 5.359 15.074 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.600 5.784 13.720 1.00 0.00 H new ATOM 192 N GLU A 14 0.813 3.419 12.232 1.00 0.00 N ATOM 193 CA GLU A 14 1.289 2.914 10.956 1.00 0.00 C ATOM 194 C GLU A 14 1.406 1.388 10.984 1.00 0.00 C ATOM 195 O GLU A 14 1.170 0.747 9.960 1.00 0.00 O ATOM 196 CB GLU A 14 2.629 3.559 10.557 1.00 0.00 C ATOM 197 CG GLU A 14 2.508 5.040 10.153 1.00 0.00 C ATOM 198 CD GLU A 14 1.504 5.301 9.012 1.00 0.00 C ATOM 199 OE1 GLU A 14 1.250 4.388 8.192 1.00 0.00 O ATOM 200 OE2 GLU A 14 0.956 6.425 8.939 1.00 0.00 O ATOM 0 H GLU A 14 1.518 3.919 12.774 1.00 0.00 H new ATOM 0 HA GLU A 14 0.554 3.187 10.199 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.325 3.475 11.392 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.058 2.999 9.726 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.209 5.620 11.026 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.489 5.404 9.849 1.00 0.00 H new ATOM 207 N THR A 15 1.734 0.796 12.134 1.00 0.00 N ATOM 208 CA THR A 15 2.075 -0.615 12.246 1.00 0.00 C ATOM 209 C THR A 15 0.866 -1.528 12.489 1.00 0.00 C ATOM 210 O THR A 15 1.036 -2.739 12.642 1.00 0.00 O ATOM 211 CB THR A 15 3.201 -0.783 13.278 1.00 0.00 C ATOM 212 OG1 THR A 15 2.920 -0.108 14.486 1.00 0.00 O ATOM 213 CG2 THR A 15 4.527 -0.248 12.719 1.00 0.00 C ATOM 0 H THR A 15 1.769 1.294 13.023 1.00 0.00 H new ATOM 0 HA THR A 15 2.446 -0.955 11.279 1.00 0.00 H new ATOM 0 HB THR A 15 3.279 -1.851 13.484 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.222 0.822 14.419 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.313 -0.375 13.463 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.790 -0.799 11.816 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.421 0.810 12.481 1.00 0.00 H new ATOM 221 N SER A 16 -0.355 -0.983 12.481 1.00 0.00 N ATOM 222 CA SER A 16 -1.578 -1.704 12.802 1.00 0.00 C ATOM 223 C SER A 16 -2.451 -1.951 11.565 1.00 0.00 C ATOM 224 O SER A 16 -3.675 -2.055 11.663 1.00 0.00 O ATOM 225 CB SER A 16 -2.280 -0.979 13.960 1.00 0.00 C ATOM 226 OG SER A 16 -2.450 0.400 13.685 1.00 0.00 O ATOM 0 H SER A 16 -0.517 -0.004 12.245 1.00 0.00 H new ATOM 0 HA SER A 16 -1.345 -2.713 13.144 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.252 -1.437 14.141 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.696 -1.099 14.873 1.00 0.00 H new ATOM 0 HG SER A 16 -2.901 0.831 14.441 1.00 0.00 H new ATOM 232 N GLU A 17 -1.818 -2.064 10.392 1.00 0.00 N ATOM 233 CA GLU A 17 -2.495 -2.182 9.099 1.00 0.00 C ATOM 234 C GLU A 17 -1.948 -3.375 8.299 1.00 0.00 C ATOM 235 O GLU A 17 -1.560 -3.243 7.135 1.00 0.00 O ATOM 236 CB GLU A 17 -2.456 -0.843 8.338 1.00 0.00 C ATOM 237 CG GLU A 17 -3.203 0.276 9.083 1.00 0.00 C ATOM 238 CD GLU A 17 -3.457 1.496 8.182 1.00 0.00 C ATOM 239 OE1 GLU A 17 -2.480 2.085 7.668 1.00 0.00 O ATOM 240 OE2 GLU A 17 -4.634 1.879 7.986 1.00 0.00 O ATOM 0 H GLU A 17 -0.801 -2.076 10.315 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.550 -2.399 9.263 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.419 -0.545 8.186 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.898 -0.976 7.351 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.154 -0.107 9.452 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.623 0.582 9.954 1.00 0.00 H new ATOM 247 N GLY A 18 -1.896 -4.548 8.939 1.00 0.00 N ATOM 248 CA GLY A 18 -1.442 -5.796 8.333 1.00 0.00 C ATOM 249 C GLY A 18 -0.036 -6.109 8.822 1.00 0.00 C ATOM 250 O GLY A 18 0.343 -5.681 9.916 1.00 0.00 O ATOM 0 H GLY A 18 -2.175 -4.654 9.914 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.120 -6.609 8.595 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.451 -5.711 7.246 1.00 0.00 H new ATOM 254 N VAL A 19 0.723 -6.881 8.041 1.00 0.00 N ATOM 255 CA VAL A 19 2.156 -7.024 8.273 1.00 0.00 C ATOM 256 C VAL A 19 2.777 -5.686 7.865 1.00 0.00 C ATOM 257 O VAL A 19 2.418 -5.109 6.834 1.00 0.00 O ATOM 258 CB VAL A 19 2.761 -8.199 7.470 1.00 0.00 C ATOM 259 CG1 VAL A 19 4.256 -8.397 7.794 1.00 0.00 C ATOM 260 CG2 VAL A 19 2.036 -9.519 7.781 1.00 0.00 C ATOM 0 H VAL A 19 0.368 -7.413 7.247 1.00 0.00 H new ATOM 0 HA VAL A 19 2.361 -7.259 9.317 1.00 0.00 H new ATOM 0 HB VAL A 19 2.641 -7.943 6.417 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.647 -9.231 7.211 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.806 -7.490 7.543 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.373 -8.610 8.857 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.484 -10.326 7.201 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.127 -9.742 8.844 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.982 -9.426 7.519 1.00 0.00 H new ATOM 270 N VAL A 20 3.728 -5.203 8.655 1.00 0.00 N ATOM 271 CA VAL A 20 4.442 -3.963 8.429 1.00 0.00 C ATOM 272 C VAL A 20 5.904 -4.260 8.761 1.00 0.00 C ATOM 273 O VAL A 20 6.190 -4.971 9.725 1.00 0.00 O ATOM 274 CB VAL A 20 3.820 -2.842 9.295 1.00 0.00 C ATOM 275 CG1 VAL A 20 4.504 -1.493 9.023 1.00 0.00 C ATOM 276 CG2 VAL A 20 2.305 -2.689 9.024 1.00 0.00 C ATOM 0 H VAL A 20 4.031 -5.686 9.501 1.00 0.00 H new ATOM 0 HA VAL A 20 4.374 -3.604 7.402 1.00 0.00 H new ATOM 0 HB VAL A 20 3.971 -3.130 10.335 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.048 -0.722 9.644 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.565 -1.569 9.259 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.384 -1.230 7.972 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.902 -1.893 9.650 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.146 -2.441 7.974 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.797 -3.625 9.257 1.00 0.00 H new ATOM 286 N LEU A 21 6.834 -3.740 7.962 1.00 0.00 N ATOM 287 CA LEU A 21 8.262 -3.986 8.110 1.00 0.00 C ATOM 288 C LEU A 21 8.925 -2.627 8.274 1.00 0.00 C ATOM 289 O LEU A 21 9.055 -1.853 7.326 1.00 0.00 O ATOM 290 CB LEU A 21 8.784 -4.797 6.914 1.00 0.00 C ATOM 291 CG LEU A 21 10.307 -5.032 6.952 1.00 0.00 C ATOM 292 CD1 LEU A 21 10.736 -5.903 8.130 1.00 0.00 C ATOM 293 CD2 LEU A 21 10.765 -5.679 5.639 1.00 0.00 C ATOM 0 H LEU A 21 6.609 -3.125 7.180 1.00 0.00 H new ATOM 0 HA LEU A 21 8.494 -4.592 8.986 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.276 -5.761 6.888 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.527 -4.276 5.991 1.00 0.00 H new ATOM 0 HG LEU A 21 10.780 -4.058 7.078 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.818 -6.037 8.109 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.448 -5.420 9.064 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.249 -6.876 8.060 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.842 -5.843 5.671 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.256 -6.634 5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.523 -5.020 4.805 1.00 0.00 H new ATOM 305 N ALA A 22 9.260 -2.293 9.510 1.00 0.00 N ATOM 306 CA ALA A 22 9.900 -1.045 9.839 1.00 0.00 C ATOM 307 C ALA A 22 11.402 -1.172 9.609 1.00 0.00 C ATOM 308 O ALA A 22 11.970 -2.250 9.791 1.00 0.00 O ATOM 309 CB ALA A 22 9.613 -0.691 11.292 1.00 0.00 C ATOM 0 H ALA A 22 9.090 -2.893 10.317 1.00 0.00 H new ATOM 0 HA ALA A 22 9.510 -0.251 9.202 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.098 0.253 11.539 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.537 -0.595 11.437 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.998 -1.477 11.941 1.00 0.00 H new ATOM 315 N ASP A 23 12.031 -0.046 9.289 1.00 0.00 N ATOM 316 CA ASP A 23 13.450 0.099 8.990 1.00 0.00 C ATOM 317 C ASP A 23 13.973 1.259 9.831 1.00 0.00 C ATOM 318 O ASP A 23 13.806 2.436 9.497 1.00 0.00 O ATOM 319 CB ASP A 23 13.673 0.329 7.490 1.00 0.00 C ATOM 320 CG ASP A 23 15.125 0.752 7.192 1.00 0.00 C ATOM 321 OD1 ASP A 23 16.058 0.150 7.767 1.00 0.00 O ATOM 322 OD2 ASP A 23 15.324 1.655 6.350 1.00 0.00 O ATOM 0 H ASP A 23 11.533 0.842 9.228 1.00 0.00 H new ATOM 0 HA ASP A 23 13.995 -0.812 9.239 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.439 -0.584 6.942 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.988 1.099 7.133 1.00 0.00 H new ATOM 327 N PHE A 24 14.510 0.904 10.993 1.00 0.00 N ATOM 328 CA PHE A 24 15.167 1.802 11.918 1.00 0.00 C ATOM 329 C PHE A 24 16.518 2.124 11.291 1.00 0.00 C ATOM 330 O PHE A 24 17.355 1.228 11.105 1.00 0.00 O ATOM 331 CB PHE A 24 15.280 1.144 13.305 1.00 0.00 C ATOM 332 CG PHE A 24 13.959 1.074 14.061 1.00 0.00 C ATOM 333 CD1 PHE A 24 12.894 0.289 13.576 1.00 0.00 C ATOM 334 CD2 PHE A 24 13.771 1.834 15.233 1.00 0.00 C ATOM 335 CE1 PHE A 24 11.647 0.309 14.220 1.00 0.00 C ATOM 336 CE2 PHE A 24 12.519 1.859 15.871 1.00 0.00 C ATOM 337 CZ PHE A 24 11.450 1.111 15.353 1.00 0.00 C ATOM 0 H PHE A 24 14.495 -0.061 11.324 1.00 0.00 H new ATOM 0 HA PHE A 24 14.610 2.724 12.083 1.00 0.00 H new ATOM 0 HB2 PHE A 24 15.675 0.135 13.187 1.00 0.00 H new ATOM 0 HB3 PHE A 24 16.001 1.700 13.903 1.00 0.00 H new ATOM 0 HD1 PHE A 24 13.038 -0.332 12.704 1.00 0.00 H new ATOM 0 HD2 PHE A 24 14.594 2.400 15.643 1.00 0.00 H new ATOM 0 HE1 PHE A 24 10.836 -0.296 13.841 1.00 0.00 H new ATOM 0 HE2 PHE A 24 12.379 2.455 16.761 1.00 0.00 H new ATOM 0 HZ PHE A 24 10.480 1.153 15.825 1.00 0.00 H new ATOM 347 N TRP A 25 16.693 3.393 10.927 1.00 0.00 N ATOM 348 CA TRP A 25 17.834 3.899 10.180 1.00 0.00 C ATOM 349 C TRP A 25 18.083 5.353 10.597 1.00 0.00 C ATOM 350 O TRP A 25 17.397 5.858 11.482 1.00 0.00 O ATOM 351 CB TRP A 25 17.583 3.715 8.663 1.00 0.00 C ATOM 352 CG TRP A 25 17.441 4.946 7.814 1.00 0.00 C ATOM 353 CD1 TRP A 25 18.380 5.440 6.975 1.00 0.00 C ATOM 354 CD2 TRP A 25 16.350 5.917 7.792 1.00 0.00 C ATOM 355 NE1 TRP A 25 17.909 6.594 6.383 1.00 0.00 N ATOM 356 CE2 TRP A 25 16.691 6.971 6.896 1.00 0.00 C ATOM 357 CE3 TRP A 25 15.127 6.039 8.480 1.00 0.00 C ATOM 358 CZ2 TRP A 25 15.870 8.090 6.699 1.00 0.00 C ATOM 359 CZ3 TRP A 25 14.295 7.162 8.299 1.00 0.00 C ATOM 360 CH2 TRP A 25 14.670 8.192 7.418 1.00 0.00 C ATOM 0 H TRP A 25 16.016 4.121 11.155 1.00 0.00 H new ATOM 0 HA TRP A 25 18.743 3.341 10.405 1.00 0.00 H new ATOM 0 HB2 TRP A 25 18.405 3.124 8.259 1.00 0.00 H new ATOM 0 HB3 TRP A 25 16.676 3.122 8.545 1.00 0.00 H new ATOM 0 HD1 TRP A 25 19.349 4.999 6.796 1.00 0.00 H new ATOM 0 HE1 TRP A 25 18.405 7.105 5.653 1.00 0.00 H new ATOM 0 HE3 TRP A 25 14.821 5.257 9.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 16.158 8.864 6.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 13.363 7.232 8.840 1.00 0.00 H new ATOM 0 HH2 TRP A 25 14.037 9.058 7.296 1.00 0.00 H new ATOM 371 N ALA A 26 19.061 6.028 9.994 1.00 0.00 N ATOM 372 CA ALA A 26 19.257 7.467 10.098 1.00 0.00 C ATOM 373 C ALA A 26 20.028 7.893 8.845 1.00 0.00 C ATOM 374 O ALA A 26 20.847 7.103 8.371 1.00 0.00 O ATOM 375 CB ALA A 26 20.065 7.797 11.353 1.00 0.00 C ATOM 0 H ALA A 26 19.757 5.572 9.404 1.00 0.00 H new ATOM 0 HA ALA A 26 18.304 7.992 10.171 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.206 8.876 11.422 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.529 7.444 12.234 1.00 0.00 H new ATOM 0 HB3 ALA A 26 21.037 7.307 11.299 1.00 0.00 H new ATOM 381 N PRO A 27 19.843 9.102 8.292 1.00 0.00 N ATOM 382 CA PRO A 27 20.553 9.508 7.082 1.00 0.00 C ATOM 383 C PRO A 27 22.081 9.550 7.190 1.00 0.00 C ATOM 384 O PRO A 27 22.744 9.522 6.152 1.00 0.00 O ATOM 385 CB PRO A 27 19.991 10.871 6.682 1.00 0.00 C ATOM 386 CG PRO A 27 18.632 10.928 7.380 1.00 0.00 C ATOM 387 CD PRO A 27 18.826 10.083 8.640 1.00 0.00 C ATOM 0 HA PRO A 27 20.383 8.744 6.323 1.00 0.00 H new ATOM 0 HB2 PRO A 27 20.642 11.683 7.008 1.00 0.00 H new ATOM 0 HB3 PRO A 27 19.889 10.959 5.600 1.00 0.00 H new ATOM 0 HG2 PRO A 27 18.352 11.952 7.626 1.00 0.00 H new ATOM 0 HG3 PRO A 27 17.841 10.525 6.747 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.145 10.699 9.481 1.00 0.00 H new ATOM 0 HD3 PRO A 27 17.896 9.597 8.935 1.00 0.00 H new ATOM 395 N TRP A 28 22.666 9.586 8.395 1.00 0.00 N ATOM 396 CA TRP A 28 24.120 9.486 8.538 1.00 0.00 C ATOM 397 C TRP A 28 24.636 8.085 8.175 1.00 0.00 C ATOM 398 O TRP A 28 25.826 7.923 7.901 1.00 0.00 O ATOM 399 CB TRP A 28 24.566 9.876 9.956 1.00 0.00 C ATOM 400 CG TRP A 28 24.174 8.950 11.074 1.00 0.00 C ATOM 401 CD1 TRP A 28 23.116 9.125 11.896 1.00 0.00 C ATOM 402 CD2 TRP A 28 24.819 7.716 11.531 1.00 0.00 C ATOM 403 NE1 TRP A 28 23.063 8.106 12.823 1.00 0.00 N ATOM 404 CE2 TRP A 28 24.070 7.188 12.626 1.00 0.00 C ATOM 405 CE3 TRP A 28 25.959 6.982 11.131 1.00 0.00 C ATOM 406 CZ2 TRP A 28 24.415 5.988 13.269 1.00 0.00 C ATOM 407 CZ3 TRP A 28 26.313 5.775 11.764 1.00 0.00 C ATOM 408 CH2 TRP A 28 25.540 5.274 12.827 1.00 0.00 C ATOM 0 H TRP A 28 22.159 9.683 9.275 1.00 0.00 H new ATOM 0 HA TRP A 28 24.559 10.192 7.833 1.00 0.00 H new ATOM 0 HB2 TRP A 28 25.652 9.967 9.956 1.00 0.00 H new ATOM 0 HB3 TRP A 28 24.163 10.864 10.178 1.00 0.00 H new ATOM 0 HD1 TRP A 28 22.414 9.944 11.836 1.00 0.00 H new ATOM 0 HE1 TRP A 28 22.364 8.040 13.563 1.00 0.00 H new ATOM 0 HE3 TRP A 28 26.571 7.355 10.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 23.822 5.619 14.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 27.184 5.230 11.431 1.00 0.00 H new ATOM 0 HH2 TRP A 28 25.811 4.343 13.302 1.00 0.00 H new ATOM 419 N CYS A 29 23.757 7.078 8.206 1.00 0.00 N ATOM 420 CA CYS A 29 24.088 5.675 8.041 1.00 0.00 C ATOM 421 C CYS A 29 24.757 5.423 6.686 1.00 0.00 C ATOM 422 O CYS A 29 24.386 6.031 5.680 1.00 0.00 O ATOM 423 CB CYS A 29 22.793 4.867 8.162 1.00 0.00 C ATOM 424 SG CYS A 29 22.995 3.075 8.266 1.00 0.00 S ATOM 0 H CYS A 29 22.760 7.233 8.353 1.00 0.00 H new ATOM 0 HA CYS A 29 24.797 5.369 8.811 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.256 5.206 9.048 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.163 5.094 7.302 1.00 0.00 H new ATOM 429 N GLY A 30 25.686 4.467 6.648 1.00 0.00 N ATOM 430 CA GLY A 30 26.274 3.941 5.421 1.00 0.00 C ATOM 431 C GLY A 30 25.554 2.672 4.957 1.00 0.00 C ATOM 432 O GLY A 30 24.960 2.688 3.880 1.00 0.00 O ATOM 0 H GLY A 30 26.057 4.028 7.491 1.00 0.00 H new ATOM 0 HA2 GLY A 30 26.223 4.697 4.638 1.00 0.00 H new ATOM 0 HA3 GLY A 30 27.329 3.723 5.586 1.00 0.00 H new ATOM 436 N PRO A 31 25.516 1.581 5.752 1.00 0.00 N ATOM 437 CA PRO A 31 24.978 0.303 5.287 1.00 0.00 C ATOM 438 C PRO A 31 23.474 0.353 4.999 1.00 0.00 C ATOM 439 O PRO A 31 22.992 -0.378 4.134 1.00 0.00 O ATOM 440 CB PRO A 31 25.348 -0.732 6.356 1.00 0.00 C ATOM 441 CG PRO A 31 25.632 0.092 7.611 1.00 0.00 C ATOM 442 CD PRO A 31 26.118 1.434 7.069 1.00 0.00 C ATOM 0 HA PRO A 31 25.412 0.034 4.324 1.00 0.00 H new ATOM 0 HB2 PRO A 31 24.535 -1.438 6.522 1.00 0.00 H new ATOM 0 HB3 PRO A 31 26.220 -1.314 6.059 1.00 0.00 H new ATOM 0 HG2 PRO A 31 24.737 0.209 8.223 1.00 0.00 H new ATOM 0 HG3 PRO A 31 26.387 -0.383 8.238 1.00 0.00 H new ATOM 0 HD2 PRO A 31 25.820 2.251 7.727 1.00 0.00 H new ATOM 0 HD3 PRO A 31 27.206 1.457 7.005 1.00 0.00 H new ATOM 450 N CYS A 32 22.731 1.254 5.652 1.00 0.00 N ATOM 451 CA CYS A 32 21.312 1.471 5.377 1.00 0.00 C ATOM 452 C CYS A 32 21.080 1.844 3.907 1.00 0.00 C ATOM 453 O CYS A 32 20.088 1.434 3.307 1.00 0.00 O ATOM 454 CB CYS A 32 20.745 2.572 6.282 1.00 0.00 C ATOM 455 SG CYS A 32 21.083 2.425 8.063 1.00 0.00 S ATOM 0 H CYS A 32 23.102 1.854 6.389 1.00 0.00 H new ATOM 0 HA CYS A 32 20.794 0.535 5.584 1.00 0.00 H new ATOM 0 HB2 CYS A 32 21.138 3.529 5.940 1.00 0.00 H new ATOM 0 HB3 CYS A 32 19.664 2.603 6.143 1.00 0.00 H new ATOM 460 N LYS A 33 22.009 2.593 3.300 1.00 0.00 N ATOM 461 CA LYS A 33 21.897 3.015 1.908 1.00 0.00 C ATOM 462 C LYS A 33 22.004 1.816 0.963 1.00 0.00 C ATOM 463 O LYS A 33 21.457 1.871 -0.136 1.00 0.00 O ATOM 464 CB LYS A 33 22.968 4.075 1.573 1.00 0.00 C ATOM 465 CG LYS A 33 23.117 5.217 2.598 1.00 0.00 C ATOM 466 CD LYS A 33 21.868 6.097 2.786 1.00 0.00 C ATOM 467 CE LYS A 33 22.000 7.053 3.988 1.00 0.00 C ATOM 468 NZ LYS A 33 23.206 7.912 3.921 1.00 0.00 N ATOM 0 H LYS A 33 22.856 2.920 3.764 1.00 0.00 H new ATOM 0 HA LYS A 33 20.915 3.466 1.768 1.00 0.00 H new ATOM 0 HB2 LYS A 33 23.931 3.574 1.472 1.00 0.00 H new ATOM 0 HB3 LYS A 33 22.732 4.511 0.602 1.00 0.00 H new ATOM 0 HG2 LYS A 33 23.386 4.785 3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 33 23.947 5.853 2.291 1.00 0.00 H new ATOM 0 HD2 LYS A 33 21.696 6.678 1.880 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.995 5.459 2.926 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.114 7.685 4.040 1.00 0.00 H new ATOM 0 HE3 LYS A 33 22.029 6.468 4.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.092 8.721 4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 24.041 7.360 4.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.332 8.258 2.948 1.00 0.00 H new ATOM 482 N MET A 34 22.677 0.733 1.375 1.00 0.00 N ATOM 483 CA MET A 34 22.796 -0.479 0.576 1.00 0.00 C ATOM 484 C MET A 34 21.463 -1.221 0.532 1.00 0.00 C ATOM 485 O MET A 34 21.058 -1.685 -0.531 1.00 0.00 O ATOM 486 CB MET A 34 23.878 -1.424 1.127 1.00 0.00 C ATOM 487 CG MET A 34 25.243 -0.760 1.338 1.00 0.00 C ATOM 488 SD MET A 34 26.590 -1.895 1.796 1.00 0.00 S ATOM 489 CE MET A 34 25.828 -2.864 3.132 1.00 0.00 C ATOM 0 H MET A 34 23.153 0.680 2.276 1.00 0.00 H new ATOM 0 HA MET A 34 23.084 -0.172 -0.429 1.00 0.00 H new ATOM 0 HB2 MET A 34 23.536 -1.836 2.077 1.00 0.00 H new ATOM 0 HB3 MET A 34 23.996 -2.262 0.440 1.00 0.00 H new ATOM 0 HG2 MET A 34 25.522 -0.240 0.422 1.00 0.00 H new ATOM 0 HG3 MET A 34 25.145 -0.004 2.117 1.00 0.00 H new ATOM 0 HE1 MET A 34 26.608 -3.302 3.754 1.00 0.00 H new ATOM 0 HE2 MET A 34 25.201 -2.213 3.741 1.00 0.00 H new ATOM 0 HE3 MET A 34 25.218 -3.658 2.703 1.00 0.00 H new ATOM 499 N ILE A 35 20.781 -1.348 1.677 1.00 0.00 N ATOM 500 CA ILE A 35 19.525 -2.089 1.765 1.00 0.00 C ATOM 501 C ILE A 35 18.342 -1.248 1.257 1.00 0.00 C ATOM 502 O ILE A 35 17.350 -1.828 0.834 1.00 0.00 O ATOM 503 CB ILE A 35 19.327 -2.701 3.179 1.00 0.00 C ATOM 504 CG1 ILE A 35 18.164 -3.723 3.192 1.00 0.00 C ATOM 505 CG2 ILE A 35 19.169 -1.620 4.255 1.00 0.00 C ATOM 506 CD1 ILE A 35 17.956 -4.463 4.520 1.00 0.00 C ATOM 0 H ILE A 35 21.085 -0.941 2.561 1.00 0.00 H new ATOM 0 HA ILE A 35 19.573 -2.945 1.091 1.00 0.00 H new ATOM 0 HB ILE A 35 20.235 -3.249 3.429 1.00 0.00 H new ATOM 0 HG12 ILE A 35 17.241 -3.202 2.937 1.00 0.00 H new ATOM 0 HG13 ILE A 35 18.341 -4.460 2.408 1.00 0.00 H new ATOM 0 HG21 ILE A 35 19.033 -2.092 5.228 1.00 0.00 H new ATOM 0 HG22 ILE A 35 20.062 -0.995 4.277 1.00 0.00 H new ATOM 0 HG23 ILE A 35 18.300 -1.003 4.026 1.00 0.00 H new ATOM 0 HD11 ILE A 35 17.119 -5.154 4.424 1.00 0.00 H new ATOM 0 HD12 ILE A 35 18.859 -5.019 4.772 1.00 0.00 H new ATOM 0 HD13 ILE A 35 17.742 -3.742 5.309 1.00 0.00 H new ATOM 518 N ALA A 36 18.423 0.089 1.228 1.00 0.00 N ATOM 519 CA ALA A 36 17.341 0.950 0.739 1.00 0.00 C ATOM 520 C ALA A 36 16.763 0.527 -0.635 1.00 0.00 C ATOM 521 O ALA A 36 15.549 0.317 -0.715 1.00 0.00 O ATOM 522 CB ALA A 36 17.787 2.417 0.762 1.00 0.00 C ATOM 0 H ALA A 36 19.244 0.604 1.544 1.00 0.00 H new ATOM 0 HA ALA A 36 16.504 0.827 1.426 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.977 3.049 0.397 1.00 0.00 H new ATOM 0 HB2 ALA A 36 18.040 2.704 1.782 1.00 0.00 H new ATOM 0 HB3 ALA A 36 18.661 2.542 0.123 1.00 0.00 H new ATOM 528 N PRO A 37 17.557 0.323 -1.707 1.00 0.00 N ATOM 529 CA PRO A 37 17.011 -0.149 -2.980 1.00 0.00 C ATOM 530 C PRO A 37 16.469 -1.581 -2.890 1.00 0.00 C ATOM 531 O PRO A 37 15.557 -1.937 -3.632 1.00 0.00 O ATOM 532 CB PRO A 37 18.149 -0.029 -3.999 1.00 0.00 C ATOM 533 CG PRO A 37 19.410 -0.083 -3.140 1.00 0.00 C ATOM 534 CD PRO A 37 18.974 0.617 -1.855 1.00 0.00 C ATOM 0 HA PRO A 37 16.151 0.452 -3.277 1.00 0.00 H new ATOM 0 HB2 PRO A 37 18.124 -0.842 -4.725 1.00 0.00 H new ATOM 0 HB3 PRO A 37 18.087 0.903 -4.561 1.00 0.00 H new ATOM 0 HG2 PRO A 37 19.729 -1.109 -2.954 1.00 0.00 H new ATOM 0 HG3 PRO A 37 20.246 0.429 -3.616 1.00 0.00 H new ATOM 0 HD2 PRO A 37 19.541 0.252 -0.999 1.00 0.00 H new ATOM 0 HD3 PRO A 37 19.146 1.692 -1.917 1.00 0.00 H new ATOM 542 N VAL A 38 16.991 -2.402 -1.978 1.00 0.00 N ATOM 543 CA VAL A 38 16.481 -3.741 -1.734 1.00 0.00 C ATOM 544 C VAL A 38 15.102 -3.649 -1.067 1.00 0.00 C ATOM 545 O VAL A 38 14.216 -4.423 -1.416 1.00 0.00 O ATOM 546 CB VAL A 38 17.488 -4.573 -0.910 1.00 0.00 C ATOM 547 CG1 VAL A 38 17.124 -6.058 -0.945 1.00 0.00 C ATOM 548 CG2 VAL A 38 18.925 -4.451 -1.439 1.00 0.00 C ATOM 0 H VAL A 38 17.784 -2.150 -1.387 1.00 0.00 H new ATOM 0 HA VAL A 38 16.357 -4.265 -2.682 1.00 0.00 H new ATOM 0 HB VAL A 38 17.437 -4.176 0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 38 17.847 -6.624 -0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 38 16.127 -6.198 -0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 38 17.137 -6.412 -1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.592 -5.055 -0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 38 18.964 -4.803 -2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.240 -3.408 -1.399 1.00 0.00 H new ATOM 558 N LEU A 39 14.876 -2.691 -0.160 1.00 0.00 N ATOM 559 CA LEU A 39 13.561 -2.428 0.415 1.00 0.00 C ATOM 560 C LEU A 39 12.603 -1.920 -0.654 1.00 0.00 C ATOM 561 O LEU A 39 11.437 -2.291 -0.626 1.00 0.00 O ATOM 562 CB LEU A 39 13.640 -1.426 1.579 1.00 0.00 C ATOM 563 CG LEU A 39 14.289 -2.036 2.831 1.00 0.00 C ATOM 564 CD1 LEU A 39 14.762 -0.933 3.781 1.00 0.00 C ATOM 565 CD2 LEU A 39 13.332 -2.972 3.584 1.00 0.00 C ATOM 0 H LEU A 39 15.608 -2.075 0.195 1.00 0.00 H new ATOM 0 HA LEU A 39 13.182 -3.370 0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 39 14.212 -0.552 1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 39 12.637 -1.079 1.825 1.00 0.00 H new ATOM 0 HG LEU A 39 15.141 -2.624 2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 39 15.219 -1.383 4.662 1.00 0.00 H new ATOM 0 HD12 LEU A 39 15.494 -0.305 3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.910 -0.325 4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.836 -3.379 4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.450 -2.414 3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.030 -3.788 2.928 1.00 0.00 H new ATOM 577 N GLU A 40 13.064 -1.111 -1.610 1.00 0.00 N ATOM 578 CA GLU A 40 12.230 -0.714 -2.744 1.00 0.00 C ATOM 579 C GLU A 40 11.844 -1.929 -3.597 1.00 0.00 C ATOM 580 O GLU A 40 10.685 -2.072 -3.994 1.00 0.00 O ATOM 581 CB GLU A 40 12.910 0.372 -3.594 1.00 0.00 C ATOM 582 CG GLU A 40 12.971 1.724 -2.872 1.00 0.00 C ATOM 583 CD GLU A 40 13.608 2.810 -3.756 1.00 0.00 C ATOM 584 OE1 GLU A 40 12.895 3.424 -4.582 1.00 0.00 O ATOM 585 OE2 GLU A 40 14.823 3.081 -3.622 1.00 0.00 O ATOM 0 H GLU A 40 14.006 -0.720 -1.621 1.00 0.00 H new ATOM 0 HA GLU A 40 11.313 -0.283 -2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.921 0.052 -3.847 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.368 0.488 -4.532 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.965 2.030 -2.587 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.546 1.620 -1.952 1.00 0.00 H new ATOM 592 N GLU A 41 12.786 -2.828 -3.877 1.00 0.00 N ATOM 593 CA GLU A 41 12.506 -4.062 -4.605 1.00 0.00 C ATOM 594 C GLU A 41 11.489 -4.910 -3.836 1.00 0.00 C ATOM 595 O GLU A 41 10.527 -5.407 -4.414 1.00 0.00 O ATOM 596 CB GLU A 41 13.803 -4.853 -4.835 1.00 0.00 C ATOM 597 CG GLU A 41 14.643 -4.328 -6.006 1.00 0.00 C ATOM 598 CD GLU A 41 14.082 -4.794 -7.360 1.00 0.00 C ATOM 599 OE1 GLU A 41 14.342 -5.958 -7.743 1.00 0.00 O ATOM 600 OE2 GLU A 41 13.400 -4.003 -8.050 1.00 0.00 O ATOM 0 H GLU A 41 13.763 -2.721 -3.605 1.00 0.00 H new ATOM 0 HA GLU A 41 12.082 -3.807 -5.576 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.403 -4.823 -3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.554 -5.898 -5.017 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.667 -3.239 -5.977 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.672 -4.673 -5.900 1.00 0.00 H new ATOM 607 N LEU A 42 11.687 -5.037 -2.525 1.00 0.00 N ATOM 608 CA LEU A 42 10.827 -5.789 -1.623 1.00 0.00 C ATOM 609 C LEU A 42 9.424 -5.178 -1.609 1.00 0.00 C ATOM 610 O LEU A 42 8.434 -5.905 -1.688 1.00 0.00 O ATOM 611 CB LEU A 42 11.504 -5.796 -0.241 1.00 0.00 C ATOM 612 CG LEU A 42 10.937 -6.710 0.853 1.00 0.00 C ATOM 613 CD1 LEU A 42 9.667 -6.189 1.512 1.00 0.00 C ATOM 614 CD2 LEU A 42 10.719 -8.143 0.370 1.00 0.00 C ATOM 0 H LEU A 42 12.478 -4.603 -2.049 1.00 0.00 H new ATOM 0 HA LEU A 42 10.698 -6.821 -1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.550 -6.065 -0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 42 11.488 -4.775 0.140 1.00 0.00 H new ATOM 0 HG LEU A 42 11.715 -6.710 1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.335 -6.896 2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.868 -5.224 1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.887 -6.074 0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.317 -8.745 1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.015 -8.143 -0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.669 -8.565 0.042 1.00 0.00 H new ATOM 626 N ASP A 43 9.321 -3.849 -1.585 1.00 0.00 N ATOM 627 CA ASP A 43 8.053 -3.131 -1.636 1.00 0.00 C ATOM 628 C ASP A 43 7.300 -3.450 -2.918 1.00 0.00 C ATOM 629 O ASP A 43 6.100 -3.706 -2.898 1.00 0.00 O ATOM 630 CB ASP A 43 8.266 -1.616 -1.582 1.00 0.00 C ATOM 631 CG ASP A 43 6.913 -0.906 -1.464 1.00 0.00 C ATOM 632 OD1 ASP A 43 6.229 -1.103 -0.438 1.00 0.00 O ATOM 633 OD2 ASP A 43 6.555 -0.137 -2.385 1.00 0.00 O ATOM 0 H ASP A 43 10.132 -3.233 -1.529 1.00 0.00 H new ATOM 0 HA ASP A 43 7.477 -3.454 -0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.898 -1.358 -0.732 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.786 -1.280 -2.479 1.00 0.00 H new ATOM 638 N GLN A 44 8.021 -3.484 -4.037 1.00 0.00 N ATOM 639 CA GLN A 44 7.443 -3.758 -5.343 1.00 0.00 C ATOM 640 C GLN A 44 7.021 -5.231 -5.499 1.00 0.00 C ATOM 641 O GLN A 44 6.314 -5.561 -6.452 1.00 0.00 O ATOM 642 CB GLN A 44 8.422 -3.293 -6.430 1.00 0.00 C ATOM 643 CG GLN A 44 8.526 -1.757 -6.444 1.00 0.00 C ATOM 644 CD GLN A 44 9.692 -1.293 -7.314 1.00 0.00 C ATOM 645 OE1 GLN A 44 9.535 -0.974 -8.492 1.00 0.00 O ATOM 646 NE2 GLN A 44 10.886 -1.256 -6.751 1.00 0.00 N ATOM 0 H GLN A 44 9.028 -3.321 -4.059 1.00 0.00 H new ATOM 0 HA GLN A 44 6.517 -3.193 -5.451 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.405 -3.728 -6.252 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.088 -3.649 -7.404 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.596 -1.330 -6.819 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.658 -1.389 -5.427 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.997 -1.524 -5.773 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.697 -0.959 -7.294 1.00 0.00 H new ATOM 655 N GLU A 45 7.405 -6.109 -4.567 1.00 0.00 N ATOM 656 CA GLU A 45 7.070 -7.527 -4.560 1.00 0.00 C ATOM 657 C GLU A 45 5.970 -7.831 -3.543 1.00 0.00 C ATOM 658 O GLU A 45 5.120 -8.681 -3.818 1.00 0.00 O ATOM 659 CB GLU A 45 8.336 -8.343 -4.243 1.00 0.00 C ATOM 660 CG GLU A 45 9.326 -8.383 -5.416 1.00 0.00 C ATOM 661 CD GLU A 45 8.815 -9.229 -6.599 1.00 0.00 C ATOM 662 OE1 GLU A 45 8.945 -10.474 -6.565 1.00 0.00 O ATOM 663 OE2 GLU A 45 8.301 -8.661 -7.588 1.00 0.00 O ATOM 0 H GLU A 45 7.979 -5.836 -3.769 1.00 0.00 H new ATOM 0 HA GLU A 45 6.692 -7.804 -5.544 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.830 -7.915 -3.371 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.050 -9.361 -3.980 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.518 -7.366 -5.758 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.277 -8.788 -5.070 1.00 0.00 H new ATOM 670 N MET A 46 5.938 -7.119 -2.411 1.00 0.00 N ATOM 671 CA MET A 46 5.097 -7.475 -1.268 1.00 0.00 C ATOM 672 C MET A 46 4.124 -6.374 -0.868 1.00 0.00 C ATOM 673 O MET A 46 3.291 -6.619 -0.001 1.00 0.00 O ATOM 674 CB MET A 46 5.973 -7.853 -0.060 1.00 0.00 C ATOM 675 CG MET A 46 7.034 -8.918 -0.383 1.00 0.00 C ATOM 676 SD MET A 46 6.407 -10.449 -1.132 1.00 0.00 S ATOM 677 CE MET A 46 5.820 -11.310 0.343 1.00 0.00 C ATOM 0 H MET A 46 6.497 -6.278 -2.264 1.00 0.00 H new ATOM 0 HA MET A 46 4.498 -8.329 -1.584 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.470 -6.957 0.313 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.333 -8.220 0.742 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.769 -8.479 -1.058 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.558 -9.173 0.538 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.401 -12.275 0.058 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.652 -11.464 1.030 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.052 -10.711 0.832 1.00 0.00 H new ATOM 687 N GLY A 47 4.183 -5.187 -1.474 1.00 0.00 N ATOM 688 CA GLY A 47 3.399 -4.015 -1.077 1.00 0.00 C ATOM 689 C GLY A 47 1.880 -4.215 -1.085 1.00 0.00 C ATOM 690 O GLY A 47 1.155 -3.417 -0.493 1.00 0.00 O ATOM 0 H GLY A 47 4.791 -5.009 -2.273 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.705 -3.715 -0.075 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.645 -3.190 -1.745 1.00 0.00 H new ATOM 694 N ASP A 48 1.382 -5.277 -1.722 1.00 0.00 N ATOM 695 CA ASP A 48 -0.028 -5.660 -1.694 1.00 0.00 C ATOM 696 C ASP A 48 -0.449 -6.176 -0.312 1.00 0.00 C ATOM 697 O ASP A 48 -1.593 -5.987 0.102 1.00 0.00 O ATOM 698 CB ASP A 48 -0.298 -6.735 -2.750 1.00 0.00 C ATOM 699 CG ASP A 48 -1.774 -7.163 -2.743 1.00 0.00 C ATOM 700 OD1 ASP A 48 -2.636 -6.388 -3.218 1.00 0.00 O ATOM 701 OD2 ASP A 48 -2.070 -8.294 -2.296 1.00 0.00 O ATOM 0 H ASP A 48 1.959 -5.905 -2.281 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.617 -4.770 -1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.032 -6.355 -3.736 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.336 -7.602 -2.561 1.00 0.00 H new ATOM 706 N LYS A 49 0.488 -6.792 0.422 1.00 0.00 N ATOM 707 CA LYS A 49 0.287 -7.351 1.760 1.00 0.00 C ATOM 708 C LYS A 49 1.075 -6.580 2.818 1.00 0.00 C ATOM 709 O LYS A 49 0.745 -6.677 4.001 1.00 0.00 O ATOM 710 CB LYS A 49 0.734 -8.828 1.780 1.00 0.00 C ATOM 711 CG LYS A 49 -0.014 -9.755 0.808 1.00 0.00 C ATOM 712 CD LYS A 49 -1.536 -9.745 1.024 1.00 0.00 C ATOM 713 CE LYS A 49 -2.265 -10.867 0.272 1.00 0.00 C ATOM 714 NZ LYS A 49 -2.046 -10.823 -1.195 1.00 0.00 N ATOM 0 H LYS A 49 1.442 -6.918 0.084 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.774 -7.271 1.995 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.799 -8.871 1.550 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.610 -9.214 2.792 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.205 -9.452 -0.216 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.358 -10.773 0.926 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.745 -9.836 2.090 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.935 -8.783 0.702 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.929 -11.831 0.655 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.334 -10.798 0.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.725 -11.454 -1.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.182 -9.850 -1.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.077 -11.134 -1.411 1.00 0.00 H new ATOM 728 N LEU A 50 2.101 -5.826 2.413 1.00 0.00 N ATOM 729 CA LEU A 50 3.076 -5.218 3.304 1.00 0.00 C ATOM 730 C LEU A 50 3.034 -3.695 3.212 1.00 0.00 C ATOM 731 O LEU A 50 2.640 -3.126 2.193 1.00 0.00 O ATOM 732 CB LEU A 50 4.465 -5.738 2.883 1.00 0.00 C ATOM 733 CG LEU A 50 5.630 -5.390 3.826 1.00 0.00 C ATOM 734 CD1 LEU A 50 5.484 -6.093 5.177 1.00 0.00 C ATOM 735 CD2 LEU A 50 6.943 -5.794 3.171 1.00 0.00 C ATOM 0 H LEU A 50 2.275 -5.620 1.429 1.00 0.00 H new ATOM 0 HA LEU A 50 2.854 -5.483 4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.412 -6.823 2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.694 -5.343 1.893 1.00 0.00 H new ATOM 0 HG LEU A 50 5.619 -4.315 4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.323 -5.826 5.819 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.552 -5.783 5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.472 -7.172 5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.772 -5.549 3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.938 -6.867 2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.061 -5.256 2.231 1.00 0.00 H new ATOM 747 N LYS A 51 3.504 -3.030 4.263 1.00 0.00 N ATOM 748 CA LYS A 51 3.825 -1.608 4.306 1.00 0.00 C ATOM 749 C LYS A 51 5.246 -1.570 4.857 1.00 0.00 C ATOM 750 O LYS A 51 5.554 -2.352 5.760 1.00 0.00 O ATOM 751 CB LYS A 51 2.833 -0.879 5.230 1.00 0.00 C ATOM 752 CG LYS A 51 3.119 0.630 5.353 1.00 0.00 C ATOM 753 CD LYS A 51 2.405 1.275 6.548 1.00 0.00 C ATOM 754 CE LYS A 51 0.879 1.264 6.404 1.00 0.00 C ATOM 755 NZ LYS A 51 0.244 1.918 7.564 1.00 0.00 N ATOM 0 H LYS A 51 3.680 -3.493 5.154 1.00 0.00 H new ATOM 0 HA LYS A 51 3.755 -1.113 3.337 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.821 -1.021 4.851 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.869 -1.332 6.221 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.194 0.785 5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.807 1.130 4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.683 0.747 7.460 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.748 2.304 6.658 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.591 1.778 5.487 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.524 0.237 6.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.790 1.901 7.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.504 1.411 8.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.569 2.904 7.628 1.00 0.00 H new ATOM 769 N ILE A 52 6.103 -0.685 4.357 1.00 0.00 N ATOM 770 CA ILE A 52 7.447 -0.514 4.903 1.00 0.00 C ATOM 771 C ILE A 52 7.435 0.826 5.633 1.00 0.00 C ATOM 772 O ILE A 52 6.803 1.766 5.155 1.00 0.00 O ATOM 773 CB ILE A 52 8.519 -0.637 3.794 1.00 0.00 C ATOM 774 CG1 ILE A 52 8.444 -2.037 3.140 1.00 0.00 C ATOM 775 CG2 ILE A 52 9.940 -0.357 4.328 1.00 0.00 C ATOM 776 CD1 ILE A 52 9.475 -2.258 2.029 1.00 0.00 C ATOM 0 H ILE A 52 5.890 -0.072 3.570 1.00 0.00 H new ATOM 0 HA ILE A 52 7.718 -1.299 5.608 1.00 0.00 H new ATOM 0 HB ILE A 52 8.308 0.122 3.040 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.586 -2.795 3.910 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.445 -2.183 2.729 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.660 -0.455 3.515 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.984 0.654 4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 52 10.181 -1.073 5.114 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.359 -3.262 1.620 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.321 -1.524 1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.479 -2.146 2.437 1.00 0.00 H new ATOM 788 N VAL A 53 8.103 0.934 6.783 1.00 0.00 N ATOM 789 CA VAL A 53 8.035 2.133 7.622 1.00 0.00 C ATOM 790 C VAL A 53 9.458 2.527 8.025 1.00 0.00 C ATOM 791 O VAL A 53 10.030 1.955 8.952 1.00 0.00 O ATOM 792 CB VAL A 53 7.076 1.887 8.815 1.00 0.00 C ATOM 793 CG1 VAL A 53 7.062 3.066 9.798 1.00 0.00 C ATOM 794 CG2 VAL A 53 5.629 1.685 8.335 1.00 0.00 C ATOM 0 H VAL A 53 8.703 0.199 7.157 1.00 0.00 H new ATOM 0 HA VAL A 53 7.614 2.980 7.080 1.00 0.00 H new ATOM 0 HB VAL A 53 7.449 0.991 9.312 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.376 2.849 10.617 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.065 3.220 10.196 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.735 3.968 9.280 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.981 1.515 9.195 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.296 2.574 7.800 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.583 0.823 7.670 1.00 0.00 H new ATOM 804 N LYS A 54 10.060 3.493 7.327 1.00 0.00 N ATOM 805 CA LYS A 54 11.370 4.003 7.733 1.00 0.00 C ATOM 806 C LYS A 54 11.160 4.882 8.967 1.00 0.00 C ATOM 807 O LYS A 54 10.185 5.640 9.016 1.00 0.00 O ATOM 808 CB LYS A 54 12.063 4.759 6.581 1.00 0.00 C ATOM 809 CG LYS A 54 12.241 3.858 5.343 1.00 0.00 C ATOM 810 CD LYS A 54 13.185 4.444 4.282 1.00 0.00 C ATOM 811 CE LYS A 54 12.631 5.728 3.645 1.00 0.00 C ATOM 812 NZ LYS A 54 13.513 6.239 2.563 1.00 0.00 N ATOM 0 H LYS A 54 9.669 3.931 6.493 1.00 0.00 H new ATOM 0 HA LYS A 54 12.040 3.180 7.983 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.474 5.636 6.313 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.037 5.119 6.914 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.625 2.889 5.662 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.265 3.681 4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.152 4.657 4.738 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.357 3.701 3.503 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.638 5.533 3.241 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.518 6.494 4.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.102 7.106 2.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.454 6.450 2.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.601 5.519 1.818 1.00 0.00 H new ATOM 826 N ILE A 55 12.061 4.813 9.948 1.00 0.00 N ATOM 827 CA ILE A 55 12.014 5.649 11.144 1.00 0.00 C ATOM 828 C ILE A 55 13.448 6.039 11.530 1.00 0.00 C ATOM 829 O ILE A 55 14.343 5.190 11.621 1.00 0.00 O ATOM 830 CB ILE A 55 11.180 4.975 12.265 1.00 0.00 C ATOM 831 CG1 ILE A 55 11.144 5.876 13.521 1.00 0.00 C ATOM 832 CG2 ILE A 55 11.640 3.547 12.615 1.00 0.00 C ATOM 833 CD1 ILE A 55 10.049 5.493 14.526 1.00 0.00 C ATOM 0 H ILE A 55 12.851 4.168 9.933 1.00 0.00 H new ATOM 0 HA ILE A 55 11.483 6.582 10.952 1.00 0.00 H new ATOM 0 HB ILE A 55 10.170 4.863 11.871 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.113 5.830 14.018 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.994 6.910 13.211 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.008 3.145 13.406 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.563 2.913 11.732 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.675 3.571 12.955 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.086 6.169 15.380 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.073 5.567 14.047 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.209 4.470 14.866 1.00 0.00 H new ATOM 845 N ASP A 56 13.655 7.352 11.682 1.00 0.00 N ATOM 846 CA ASP A 56 14.960 7.970 11.904 1.00 0.00 C ATOM 847 C ASP A 56 15.300 7.896 13.388 1.00 0.00 C ATOM 848 O ASP A 56 14.732 8.647 14.186 1.00 0.00 O ATOM 849 CB ASP A 56 14.957 9.427 11.423 1.00 0.00 C ATOM 850 CG ASP A 56 16.284 10.162 11.707 1.00 0.00 C ATOM 851 OD1 ASP A 56 17.273 9.531 12.143 1.00 0.00 O ATOM 852 OD2 ASP A 56 16.332 11.387 11.452 1.00 0.00 O ATOM 0 H ASP A 56 12.894 8.031 11.652 1.00 0.00 H new ATOM 0 HA ASP A 56 15.716 7.432 11.332 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.759 9.449 10.351 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.141 9.962 11.909 1.00 0.00 H new ATOM 857 N VAL A 57 16.184 6.983 13.783 1.00 0.00 N ATOM 858 CA VAL A 57 16.506 6.740 15.183 1.00 0.00 C ATOM 859 C VAL A 57 17.069 7.987 15.867 1.00 0.00 C ATOM 860 O VAL A 57 16.878 8.138 17.073 1.00 0.00 O ATOM 861 CB VAL A 57 17.437 5.519 15.348 1.00 0.00 C ATOM 862 CG1 VAL A 57 16.782 4.263 14.760 1.00 0.00 C ATOM 863 CG2 VAL A 57 18.834 5.684 14.731 1.00 0.00 C ATOM 0 H VAL A 57 16.699 6.388 13.134 1.00 0.00 H new ATOM 0 HA VAL A 57 15.571 6.501 15.690 1.00 0.00 H new ATOM 0 HB VAL A 57 17.582 5.424 16.424 1.00 0.00 H new ATOM 0 HG11 VAL A 57 17.451 3.412 14.884 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.843 4.066 15.278 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.585 4.418 13.699 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.415 4.777 14.897 1.00 0.00 H new ATOM 0 HG22 VAL A 57 18.740 5.864 13.660 1.00 0.00 H new ATOM 0 HG23 VAL A 57 19.340 6.529 15.197 1.00 0.00 H new ATOM 873 N ASP A 58 17.710 8.904 15.133 1.00 0.00 N ATOM 874 CA ASP A 58 18.321 10.099 15.723 1.00 0.00 C ATOM 875 C ASP A 58 17.265 11.047 16.309 1.00 0.00 C ATOM 876 O ASP A 58 17.572 11.854 17.185 1.00 0.00 O ATOM 877 CB ASP A 58 19.175 10.831 14.683 1.00 0.00 C ATOM 878 CG ASP A 58 19.931 12.016 15.308 1.00 0.00 C ATOM 879 OD1 ASP A 58 20.816 11.790 16.164 1.00 0.00 O ATOM 880 OD2 ASP A 58 19.688 13.177 14.908 1.00 0.00 O ATOM 0 H ASP A 58 17.819 8.839 14.121 1.00 0.00 H new ATOM 0 HA ASP A 58 18.961 9.771 16.542 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.888 10.135 14.241 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.538 11.190 13.875 1.00 0.00 H new ATOM 885 N GLU A 59 16.009 10.903 15.877 1.00 0.00 N ATOM 886 CA GLU A 59 14.860 11.681 16.332 1.00 0.00 C ATOM 887 C GLU A 59 13.856 10.789 17.083 1.00 0.00 C ATOM 888 O GLU A 59 12.808 11.274 17.511 1.00 0.00 O ATOM 889 CB GLU A 59 14.200 12.342 15.104 1.00 0.00 C ATOM 890 CG GLU A 59 15.010 13.508 14.517 1.00 0.00 C ATOM 891 CD GLU A 59 14.950 14.766 15.405 1.00 0.00 C ATOM 892 OE1 GLU A 59 13.970 15.539 15.304 1.00 0.00 O ATOM 893 OE2 GLU A 59 15.888 15.017 16.196 1.00 0.00 O ATOM 0 H GLU A 59 15.758 10.211 15.171 1.00 0.00 H new ATOM 0 HA GLU A 59 15.190 12.451 17.029 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.055 11.587 14.331 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.211 12.704 15.386 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.049 13.201 14.395 1.00 0.00 H new ATOM 0 HG3 GLU A 59 14.630 13.748 13.524 1.00 0.00 H new ATOM 900 N ASN A 60 14.153 9.493 17.254 1.00 0.00 N ATOM 901 CA ASN A 60 13.209 8.485 17.748 1.00 0.00 C ATOM 902 C ASN A 60 13.934 7.504 18.667 1.00 0.00 C ATOM 903 O ASN A 60 13.739 6.289 18.591 1.00 0.00 O ATOM 904 CB ASN A 60 12.499 7.782 16.576 1.00 0.00 C ATOM 905 CG ASN A 60 11.605 8.743 15.806 1.00 0.00 C ATOM 906 OD1 ASN A 60 10.514 9.084 16.246 1.00 0.00 O ATOM 907 ND2 ASN A 60 12.043 9.215 14.652 1.00 0.00 N ATOM 0 H ASN A 60 15.076 9.110 17.048 1.00 0.00 H new ATOM 0 HA ASN A 60 12.431 8.972 18.335 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.242 7.356 15.902 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.901 6.953 16.956 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.471 9.870 14.119 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.953 8.925 14.295 1.00 0.00 H new ATOM 914 N GLN A 61 14.800 8.041 19.534 1.00 0.00 N ATOM 915 CA GLN A 61 15.563 7.264 20.506 1.00 0.00 C ATOM 916 C GLN A 61 14.638 6.434 21.402 1.00 0.00 C ATOM 917 O GLN A 61 15.005 5.328 21.789 1.00 0.00 O ATOM 918 CB GLN A 61 16.435 8.201 21.361 1.00 0.00 C ATOM 919 CG GLN A 61 17.595 8.837 20.579 1.00 0.00 C ATOM 920 CD GLN A 61 18.689 7.822 20.244 1.00 0.00 C ATOM 921 OE1 GLN A 61 19.523 7.479 21.079 1.00 0.00 O ATOM 922 NE2 GLN A 61 18.708 7.310 19.026 1.00 0.00 N ATOM 0 H GLN A 61 14.990 9.042 19.577 1.00 0.00 H new ATOM 0 HA GLN A 61 16.207 6.575 19.960 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.809 8.991 21.774 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.839 7.641 22.204 1.00 0.00 H new ATOM 0 HG2 GLN A 61 17.213 9.275 19.657 1.00 0.00 H new ATOM 0 HG3 GLN A 61 18.023 9.651 21.165 1.00 0.00 H new ATOM 0 HE21 GLN A 61 18.012 7.601 18.340 1.00 0.00 H new ATOM 0 HE22 GLN A 61 19.419 6.624 18.772 1.00 0.00 H new ATOM 931 N GLU A 62 13.435 6.933 21.710 1.00 0.00 N ATOM 932 CA GLU A 62 12.474 6.215 22.538 1.00 0.00 C ATOM 933 C GLU A 62 11.996 4.946 21.823 1.00 0.00 C ATOM 934 O GLU A 62 11.992 3.870 22.420 1.00 0.00 O ATOM 935 CB GLU A 62 11.281 7.124 22.884 1.00 0.00 C ATOM 936 CG GLU A 62 11.659 8.348 23.736 1.00 0.00 C ATOM 937 CD GLU A 62 12.238 7.964 25.110 1.00 0.00 C ATOM 938 OE1 GLU A 62 11.467 7.557 26.011 1.00 0.00 O ATOM 939 OE2 GLU A 62 13.467 8.084 25.316 1.00 0.00 O ATOM 0 H GLU A 62 13.106 7.844 21.390 1.00 0.00 H new ATOM 0 HA GLU A 62 12.964 5.922 23.466 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.817 7.466 21.959 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.533 6.538 23.418 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.389 8.950 23.195 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.776 8.971 23.880 1.00 0.00 H new ATOM 946 N THR A 63 11.633 5.041 20.541 1.00 0.00 N ATOM 947 CA THR A 63 11.142 3.908 19.770 1.00 0.00 C ATOM 948 C THR A 63 12.285 2.915 19.521 1.00 0.00 C ATOM 949 O THR A 63 12.085 1.712 19.606 1.00 0.00 O ATOM 950 CB THR A 63 10.541 4.399 18.442 1.00 0.00 C ATOM 951 OG1 THR A 63 10.040 5.724 18.548 1.00 0.00 O ATOM 952 CG2 THR A 63 9.425 3.502 17.904 1.00 0.00 C ATOM 0 H THR A 63 11.674 5.912 20.011 1.00 0.00 H new ATOM 0 HA THR A 63 10.359 3.398 20.332 1.00 0.00 H new ATOM 0 HB THR A 63 11.372 4.366 17.737 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.668 6.003 17.685 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.050 3.911 16.966 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.815 2.499 17.732 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.613 3.456 18.630 1.00 0.00 H new ATOM 960 N ALA A 64 13.504 3.392 19.261 1.00 0.00 N ATOM 961 CA ALA A 64 14.684 2.539 19.181 1.00 0.00 C ATOM 962 C ALA A 64 14.887 1.788 20.504 1.00 0.00 C ATOM 963 O ALA A 64 15.034 0.564 20.510 1.00 0.00 O ATOM 964 CB ALA A 64 15.901 3.401 18.814 1.00 0.00 C ATOM 0 H ALA A 64 13.697 4.381 19.101 1.00 0.00 H new ATOM 0 HA ALA A 64 14.552 1.786 18.404 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.788 2.771 18.752 1.00 0.00 H new ATOM 0 HB2 ALA A 64 15.729 3.881 17.851 1.00 0.00 H new ATOM 0 HB3 ALA A 64 16.051 4.164 19.578 1.00 0.00 H new ATOM 970 N GLY A 65 14.812 2.499 21.630 1.00 0.00 N ATOM 971 CA GLY A 65 14.910 1.926 22.965 1.00 0.00 C ATOM 972 C GLY A 65 13.817 0.892 23.240 1.00 0.00 C ATOM 973 O GLY A 65 14.061 -0.064 23.976 1.00 0.00 O ATOM 0 H GLY A 65 14.679 3.510 21.635 1.00 0.00 H new ATOM 0 HA2 GLY A 65 15.887 1.458 23.085 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.846 2.724 23.705 1.00 0.00 H new ATOM 977 N LYS A 66 12.642 1.025 22.608 1.00 0.00 N ATOM 978 CA LYS A 66 11.507 0.115 22.764 1.00 0.00 C ATOM 979 C LYS A 66 11.896 -1.330 22.440 1.00 0.00 C ATOM 980 O LYS A 66 11.332 -2.246 23.041 1.00 0.00 O ATOM 981 CB LYS A 66 10.340 0.595 21.875 1.00 0.00 C ATOM 982 CG LYS A 66 8.970 -0.026 22.192 1.00 0.00 C ATOM 983 CD LYS A 66 8.440 0.333 23.588 1.00 0.00 C ATOM 984 CE LYS A 66 7.016 -0.216 23.763 1.00 0.00 C ATOM 985 NZ LYS A 66 6.449 0.106 25.095 1.00 0.00 N ATOM 0 H LYS A 66 12.454 1.789 21.959 1.00 0.00 H new ATOM 0 HA LYS A 66 11.188 0.128 23.806 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.259 1.678 21.966 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.586 0.380 20.835 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.249 0.303 21.443 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.044 -1.110 22.108 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.096 -0.082 24.353 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.441 1.415 23.720 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.372 0.197 22.987 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.026 -1.297 23.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.488 -0.284 25.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.048 -0.310 25.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.413 1.138 25.217 1.00 0.00 H new ATOM 999 N TYR A 67 12.878 -1.538 21.553 1.00 0.00 N ATOM 1000 CA TYR A 67 13.346 -2.871 21.159 1.00 0.00 C ATOM 1001 C TYR A 67 14.854 -3.039 21.406 1.00 0.00 C ATOM 1002 O TYR A 67 15.448 -4.014 20.943 1.00 0.00 O ATOM 1003 CB TYR A 67 12.980 -3.157 19.691 1.00 0.00 C ATOM 1004 CG TYR A 67 11.680 -2.533 19.227 1.00 0.00 C ATOM 1005 CD1 TYR A 67 10.444 -3.150 19.499 1.00 0.00 C ATOM 1006 CD2 TYR A 67 11.715 -1.274 18.604 1.00 0.00 C ATOM 1007 CE1 TYR A 67 9.243 -2.494 19.173 1.00 0.00 C ATOM 1008 CE2 TYR A 67 10.525 -0.606 18.293 1.00 0.00 C ATOM 1009 CZ TYR A 67 9.279 -1.207 18.585 1.00 0.00 C ATOM 1010 OH TYR A 67 8.128 -0.524 18.336 1.00 0.00 O ATOM 0 H TYR A 67 13.373 -0.779 21.086 1.00 0.00 H new ATOM 0 HA TYR A 67 12.839 -3.605 21.786 1.00 0.00 H new ATOM 0 HB2 TYR A 67 13.787 -2.797 19.053 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.919 -4.236 19.550 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.418 -4.127 19.958 1.00 0.00 H new ATOM 0 HD2 TYR A 67 12.665 -0.820 18.364 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.295 -2.972 19.371 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.559 0.369 17.830 1.00 0.00 H new ATOM 0 HH TYR A 67 8.132 -0.203 17.410 1.00 0.00 H new ATOM 1020 N GLY A 68 15.487 -2.094 22.114 1.00 0.00 N ATOM 1021 CA GLY A 68 16.925 -2.092 22.350 1.00 0.00 C ATOM 1022 C GLY A 68 17.730 -1.978 21.052 1.00 0.00 C ATOM 1023 O GLY A 68 18.803 -2.575 20.947 1.00 0.00 O ATOM 0 H GLY A 68 15.004 -1.304 22.541 1.00 0.00 H new ATOM 0 HA2 GLY A 68 17.181 -1.261 23.007 1.00 0.00 H new ATOM 0 HA3 GLY A 68 17.206 -3.008 22.869 1.00 0.00 H new ATOM 1027 N VAL A 69 17.216 -1.257 20.049 1.00 0.00 N ATOM 1028 CA VAL A 69 17.949 -0.953 18.825 1.00 0.00 C ATOM 1029 C VAL A 69 19.137 -0.063 19.220 1.00 0.00 C ATOM 1030 O VAL A 69 18.939 1.017 19.783 1.00 0.00 O ATOM 1031 CB VAL A 69 17.019 -0.275 17.791 1.00 0.00 C ATOM 1032 CG1 VAL A 69 17.751 0.016 16.474 1.00 0.00 C ATOM 1033 CG2 VAL A 69 15.770 -1.118 17.487 1.00 0.00 C ATOM 0 H VAL A 69 16.273 -0.868 20.069 1.00 0.00 H new ATOM 0 HA VAL A 69 18.319 -1.859 18.346 1.00 0.00 H new ATOM 0 HB VAL A 69 16.706 0.664 18.248 1.00 0.00 H new ATOM 0 HG11 VAL A 69 17.065 0.492 15.774 1.00 0.00 H new ATOM 0 HG12 VAL A 69 18.593 0.681 16.665 1.00 0.00 H new ATOM 0 HG13 VAL A 69 18.116 -0.918 16.046 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.150 -0.599 16.756 1.00 0.00 H new ATOM 0 HG22 VAL A 69 16.073 -2.085 17.085 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.201 -1.269 18.404 1.00 0.00 H new ATOM 1043 N MET A 70 20.359 -0.517 18.927 1.00 0.00 N ATOM 1044 CA MET A 70 21.614 0.179 19.243 1.00 0.00 C ATOM 1045 C MET A 70 22.557 0.220 18.027 1.00 0.00 C ATOM 1046 O MET A 70 23.666 0.752 18.120 1.00 0.00 O ATOM 1047 CB MET A 70 22.298 -0.506 20.443 1.00 0.00 C ATOM 1048 CG MET A 70 21.521 -0.368 21.758 1.00 0.00 C ATOM 1049 SD MET A 70 21.388 1.324 22.403 1.00 0.00 S ATOM 1050 CE MET A 70 20.303 1.015 23.822 1.00 0.00 C ATOM 0 H MET A 70 20.509 -1.406 18.449 1.00 0.00 H new ATOM 0 HA MET A 70 21.380 1.211 19.505 1.00 0.00 H new ATOM 0 HB2 MET A 70 22.430 -1.565 20.219 1.00 0.00 H new ATOM 0 HB3 MET A 70 23.293 -0.081 20.573 1.00 0.00 H new ATOM 0 HG2 MET A 70 20.516 -0.764 21.611 1.00 0.00 H new ATOM 0 HG3 MET A 70 22.002 -0.991 22.513 1.00 0.00 H new ATOM 0 HE1 MET A 70 20.111 1.952 24.344 1.00 0.00 H new ATOM 0 HE2 MET A 70 19.360 0.593 23.474 1.00 0.00 H new ATOM 0 HE3 MET A 70 20.785 0.313 24.503 1.00 0.00 H new ATOM 1060 N SER A 71 22.109 -0.307 16.884 1.00 0.00 N ATOM 1061 CA SER A 71 22.805 -0.348 15.609 1.00 0.00 C ATOM 1062 C SER A 71 21.747 -0.183 14.514 1.00 0.00 C ATOM 1063 O SER A 71 20.560 -0.411 14.769 1.00 0.00 O ATOM 1064 CB SER A 71 23.538 -1.690 15.449 1.00 0.00 C ATOM 1065 OG SER A 71 24.431 -1.940 16.527 1.00 0.00 O ATOM 0 H SER A 71 21.189 -0.743 16.829 1.00 0.00 H new ATOM 0 HA SER A 71 23.550 0.445 15.546 1.00 0.00 H new ATOM 0 HB2 SER A 71 22.808 -2.497 15.388 1.00 0.00 H new ATOM 0 HB3 SER A 71 24.093 -1.691 14.511 1.00 0.00 H new ATOM 0 HG SER A 71 24.876 -2.802 16.390 1.00 0.00 H new ATOM 1071 N ILE A 72 22.162 0.186 13.301 1.00 0.00 N ATOM 1072 CA ILE A 72 21.296 0.336 12.134 1.00 0.00 C ATOM 1073 C ILE A 72 22.079 -0.120 10.882 1.00 0.00 C ATOM 1074 O ILE A 72 23.313 -0.070 10.915 1.00 0.00 O ATOM 1075 CB ILE A 72 20.771 1.792 12.014 1.00 0.00 C ATOM 1076 CG1 ILE A 72 21.898 2.851 11.989 1.00 0.00 C ATOM 1077 CG2 ILE A 72 19.754 2.106 13.131 1.00 0.00 C ATOM 1078 CD1 ILE A 72 21.395 4.253 11.627 1.00 0.00 C ATOM 0 H ILE A 72 23.140 0.395 13.099 1.00 0.00 H new ATOM 0 HA ILE A 72 20.411 -0.292 12.237 1.00 0.00 H new ATOM 0 HB ILE A 72 20.269 1.853 11.048 1.00 0.00 H new ATOM 0 HG12 ILE A 72 22.379 2.885 12.967 1.00 0.00 H new ATOM 0 HG13 ILE A 72 22.659 2.547 11.270 1.00 0.00 H new ATOM 0 HG21 ILE A 72 19.402 3.132 13.024 1.00 0.00 H new ATOM 0 HG22 ILE A 72 18.908 1.422 13.056 1.00 0.00 H new ATOM 0 HG23 ILE A 72 20.232 1.986 14.103 1.00 0.00 H new ATOM 0 HD11 ILE A 72 22.232 4.951 11.626 1.00 0.00 H new ATOM 0 HD12 ILE A 72 20.939 4.232 10.637 1.00 0.00 H new ATOM 0 HD13 ILE A 72 20.655 4.575 12.360 1.00 0.00 H new ATOM 1090 N PRO A 73 21.427 -0.560 9.785 1.00 0.00 N ATOM 1091 CA PRO A 73 19.985 -0.717 9.630 1.00 0.00 C ATOM 1092 C PRO A 73 19.472 -1.854 10.512 1.00 0.00 C ATOM 1093 O PRO A 73 20.104 -2.913 10.597 1.00 0.00 O ATOM 1094 CB PRO A 73 19.757 -1.036 8.148 1.00 0.00 C ATOM 1095 CG PRO A 73 21.057 -1.714 7.720 1.00 0.00 C ATOM 1096 CD PRO A 73 22.109 -1.019 8.582 1.00 0.00 C ATOM 0 HA PRO A 73 19.448 0.183 9.932 1.00 0.00 H new ATOM 0 HB2 PRO A 73 18.898 -1.692 8.007 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.567 -0.133 7.568 1.00 0.00 H new ATOM 0 HG2 PRO A 73 21.031 -2.788 7.903 1.00 0.00 H new ATOM 0 HG3 PRO A 73 21.252 -1.577 6.656 1.00 0.00 H new ATOM 0 HD2 PRO A 73 22.918 -1.705 8.833 1.00 0.00 H new ATOM 0 HD3 PRO A 73 22.556 -0.181 8.047 1.00 0.00 H new ATOM 1104 N THR A 74 18.315 -1.642 11.130 1.00 0.00 N ATOM 1105 CA THR A 74 17.670 -2.649 11.959 1.00 0.00 C ATOM 1106 C THR A 74 16.203 -2.701 11.548 1.00 0.00 C ATOM 1107 O THR A 74 15.554 -1.671 11.373 1.00 0.00 O ATOM 1108 CB THR A 74 17.922 -2.327 13.441 1.00 0.00 C ATOM 1109 OG1 THR A 74 19.297 -2.504 13.711 1.00 0.00 O ATOM 1110 CG2 THR A 74 17.149 -3.241 14.391 1.00 0.00 C ATOM 0 H THR A 74 17.798 -0.765 11.069 1.00 0.00 H new ATOM 0 HA THR A 74 18.079 -3.649 11.815 1.00 0.00 H new ATOM 0 HB THR A 74 17.588 -1.303 13.607 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.620 -1.762 14.263 1.00 0.00 H new ATOM 0 HG21 THR A 74 17.369 -2.964 15.422 1.00 0.00 H new ATOM 0 HG22 THR A 74 16.080 -3.136 14.207 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.446 -4.276 14.222 1.00 0.00 H new ATOM 1118 N LEU A 75 15.694 -3.911 11.340 1.00 0.00 N ATOM 1119 CA LEU A 75 14.380 -4.167 10.782 1.00 0.00 C ATOM 1120 C LEU A 75 13.526 -4.737 11.900 1.00 0.00 C ATOM 1121 O LEU A 75 13.945 -5.668 12.589 1.00 0.00 O ATOM 1122 CB LEU A 75 14.480 -5.142 9.593 1.00 0.00 C ATOM 1123 CG LEU A 75 14.518 -4.449 8.216 1.00 0.00 C ATOM 1124 CD1 LEU A 75 15.648 -3.422 8.072 1.00 0.00 C ATOM 1125 CD2 LEU A 75 14.689 -5.507 7.122 1.00 0.00 C ATOM 0 H LEU A 75 16.205 -4.765 11.564 1.00 0.00 H new ATOM 0 HA LEU A 75 13.931 -3.252 10.397 1.00 0.00 H new ATOM 0 HB2 LEU A 75 15.378 -5.748 9.708 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.630 -5.823 9.622 1.00 0.00 H new ATOM 0 HG LEU A 75 13.575 -3.910 8.119 1.00 0.00 H new ATOM 0 HD11 LEU A 75 15.610 -2.977 7.078 1.00 0.00 H new ATOM 0 HD12 LEU A 75 15.529 -2.642 8.824 1.00 0.00 H new ATOM 0 HD13 LEU A 75 16.609 -3.917 8.212 1.00 0.00 H new ATOM 0 HD21 LEU A 75 14.716 -5.021 6.147 1.00 0.00 H new ATOM 0 HD22 LEU A 75 15.620 -6.050 7.283 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.852 -6.204 7.156 1.00 0.00 H new ATOM 1137 N LEU A 76 12.327 -4.190 12.075 1.00 0.00 N ATOM 1138 CA LEU A 76 11.377 -4.632 13.091 1.00 0.00 C ATOM 1139 C LEU A 76 10.153 -4.998 12.289 1.00 0.00 C ATOM 1140 O LEU A 76 9.705 -4.203 11.466 1.00 0.00 O ATOM 1141 CB LEU A 76 11.037 -3.508 14.096 1.00 0.00 C ATOM 1142 CG LEU A 76 12.018 -3.247 15.257 1.00 0.00 C ATOM 1143 CD1 LEU A 76 11.996 -4.394 16.268 1.00 0.00 C ATOM 1144 CD2 LEU A 76 13.452 -3.010 14.789 1.00 0.00 C ATOM 0 H LEU A 76 11.983 -3.416 11.507 1.00 0.00 H new ATOM 0 HA LEU A 76 11.773 -5.451 13.692 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.932 -2.580 13.534 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.062 -3.732 14.528 1.00 0.00 H new ATOM 0 HG LEU A 76 11.672 -2.330 15.735 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.698 -4.181 17.075 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.992 -4.498 16.679 1.00 0.00 H new ATOM 0 HD13 LEU A 76 12.283 -5.321 15.772 1.00 0.00 H new ATOM 0 HD21 LEU A 76 14.092 -2.833 15.653 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.808 -3.887 14.248 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.481 -2.141 14.131 1.00 0.00 H new ATOM 1156 N VAL A 77 9.618 -6.188 12.488 1.00 0.00 N ATOM 1157 CA VAL A 77 8.495 -6.675 11.722 1.00 0.00 C ATOM 1158 C VAL A 77 7.351 -6.701 12.710 1.00 0.00 C ATOM 1159 O VAL A 77 7.484 -7.250 13.810 1.00 0.00 O ATOM 1160 CB VAL A 77 8.783 -8.054 11.108 1.00 0.00 C ATOM 1161 CG1 VAL A 77 7.957 -8.205 9.820 1.00 0.00 C ATOM 1162 CG2 VAL A 77 10.268 -8.291 10.775 1.00 0.00 C ATOM 0 H VAL A 77 9.955 -6.845 13.191 1.00 0.00 H new ATOM 0 HA VAL A 77 8.267 -6.043 10.864 1.00 0.00 H new ATOM 0 HB VAL A 77 8.508 -8.795 11.859 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.153 -9.180 9.374 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.896 -8.120 10.056 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.236 -7.422 9.115 1.00 0.00 H new ATOM 0 HG21 VAL A 77 10.390 -9.285 10.346 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.604 -7.542 10.058 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.862 -8.213 11.686 1.00 0.00 H new ATOM 1172 N LEU A 78 6.246 -6.067 12.342 1.00 0.00 N ATOM 1173 CA LEU A 78 5.093 -5.892 13.192 1.00 0.00 C ATOM 1174 C LEU A 78 3.897 -6.425 12.425 1.00 0.00 C ATOM 1175 O LEU A 78 3.886 -6.417 11.193 1.00 0.00 O ATOM 1176 CB LEU A 78 4.912 -4.415 13.598 1.00 0.00 C ATOM 1177 CG LEU A 78 6.118 -3.846 14.384 1.00 0.00 C ATOM 1178 CD1 LEU A 78 7.082 -3.061 13.487 1.00 0.00 C ATOM 1179 CD2 LEU A 78 5.671 -2.960 15.550 1.00 0.00 C ATOM 0 H LEU A 78 6.131 -5.652 11.417 1.00 0.00 H new ATOM 0 HA LEU A 78 5.213 -6.438 14.128 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.755 -3.815 12.701 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.013 -4.320 14.206 1.00 0.00 H new ATOM 0 HG LEU A 78 6.648 -4.712 14.781 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.910 -2.683 14.086 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.468 -3.717 12.707 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.554 -2.224 13.030 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.547 -2.581 16.076 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.087 -2.123 15.168 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.060 -3.545 16.238 1.00 0.00 H new ATOM 1191 N LYS A 79 2.888 -6.894 13.146 1.00 0.00 N ATOM 1192 CA LYS A 79 1.643 -7.340 12.552 1.00 0.00 C ATOM 1193 C LYS A 79 0.520 -6.824 13.424 1.00 0.00 C ATOM 1194 O LYS A 79 0.513 -7.077 14.627 1.00 0.00 O ATOM 1195 CB LYS A 79 1.629 -8.869 12.412 1.00 0.00 C ATOM 1196 CG LYS A 79 0.381 -9.329 11.651 1.00 0.00 C ATOM 1197 CD LYS A 79 0.389 -10.836 11.379 1.00 0.00 C ATOM 1198 CE LYS A 79 -0.861 -11.220 10.574 1.00 0.00 C ATOM 1199 NZ LYS A 79 -0.845 -12.644 10.161 1.00 0.00 N ATOM 0 H LYS A 79 2.914 -6.975 14.162 1.00 0.00 H new ATOM 0 HA LYS A 79 1.522 -6.948 11.542 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.525 -9.200 11.886 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.650 -9.330 13.399 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.508 -9.070 12.226 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.316 -8.792 10.705 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.288 -11.112 10.828 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.411 -11.386 12.320 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.751 -11.027 11.174 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.930 -10.587 9.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.723 -12.867 9.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.029 -12.816 9.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.772 -13.249 11.004 1.00 0.00 H new ATOM 1213 N ASP A 80 -0.419 -6.105 12.808 1.00 0.00 N ATOM 1214 CA ASP A 80 -1.651 -5.620 13.435 1.00 0.00 C ATOM 1215 C ASP A 80 -1.384 -4.900 14.774 1.00 0.00 C ATOM 1216 O ASP A 80 -2.185 -4.955 15.708 1.00 0.00 O ATOM 1217 CB ASP A 80 -2.666 -6.773 13.535 1.00 0.00 C ATOM 1218 CG ASP A 80 -4.061 -6.305 13.991 1.00 0.00 C ATOM 1219 OD1 ASP A 80 -4.585 -5.310 13.443 1.00 0.00 O ATOM 1220 OD2 ASP A 80 -4.673 -6.972 14.857 1.00 0.00 O ATOM 0 H ASP A 80 -0.341 -5.835 11.827 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.095 -4.851 12.803 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.751 -7.261 12.564 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.292 -7.520 14.235 1.00 0.00 H new ATOM 1225 N GLY A 81 -0.236 -4.219 14.870 1.00 0.00 N ATOM 1226 CA GLY A 81 0.091 -3.325 15.975 1.00 0.00 C ATOM 1227 C GLY A 81 1.000 -3.939 17.042 1.00 0.00 C ATOM 1228 O GLY A 81 1.263 -3.262 18.038 1.00 0.00 O ATOM 0 H GLY A 81 0.501 -4.278 14.167 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.574 -2.434 15.574 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.835 -3.000 16.449 1.00 0.00 H new ATOM 1232 N GLU A 82 1.502 -5.168 16.870 1.00 0.00 N ATOM 1233 CA GLU A 82 2.466 -5.776 17.787 1.00 0.00 C ATOM 1234 C GLU A 82 3.726 -6.146 17.011 1.00 0.00 C ATOM 1235 O GLU A 82 3.635 -6.537 15.847 1.00 0.00 O ATOM 1236 CB GLU A 82 1.838 -6.980 18.516 1.00 0.00 C ATOM 1237 CG GLU A 82 1.843 -8.319 17.753 1.00 0.00 C ATOM 1238 CD GLU A 82 1.106 -9.413 18.547 1.00 0.00 C ATOM 1239 OE1 GLU A 82 1.731 -10.082 19.400 1.00 0.00 O ATOM 1240 OE2 GLU A 82 -0.107 -9.627 18.322 1.00 0.00 O ATOM 0 H GLU A 82 1.248 -5.769 16.086 1.00 0.00 H new ATOM 0 HA GLU A 82 2.747 -5.064 18.563 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.365 -7.122 19.459 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.806 -6.730 18.762 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.368 -8.189 16.781 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.871 -8.631 17.566 1.00 0.00 H new ATOM 1247 N VAL A 83 4.901 -6.030 17.631 1.00 0.00 N ATOM 1248 CA VAL A 83 6.133 -6.556 17.057 1.00 0.00 C ATOM 1249 C VAL A 83 6.049 -8.079 17.078 1.00 0.00 C ATOM 1250 O VAL A 83 5.734 -8.692 18.102 1.00 0.00 O ATOM 1251 CB VAL A 83 7.364 -5.941 17.755 1.00 0.00 C ATOM 1252 CG1 VAL A 83 7.489 -6.275 19.249 1.00 0.00 C ATOM 1253 CG2 VAL A 83 8.655 -6.314 17.016 1.00 0.00 C ATOM 0 H VAL A 83 5.022 -5.574 18.535 1.00 0.00 H new ATOM 0 HA VAL A 83 6.257 -6.266 16.014 1.00 0.00 H new ATOM 0 HB VAL A 83 7.207 -4.863 17.707 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.383 -5.800 19.654 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.610 -5.907 19.779 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.563 -7.355 19.375 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.509 -5.869 17.527 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.766 -7.398 17.002 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.610 -5.940 15.993 1.00 0.00 H new ATOM 1263 N VAL A 84 6.327 -8.678 15.924 1.00 0.00 N ATOM 1264 CA VAL A 84 6.317 -10.112 15.719 1.00 0.00 C ATOM 1265 C VAL A 84 7.721 -10.630 15.378 1.00 0.00 C ATOM 1266 O VAL A 84 7.969 -11.811 15.626 1.00 0.00 O ATOM 1267 CB VAL A 84 5.238 -10.498 14.682 1.00 0.00 C ATOM 1268 CG1 VAL A 84 3.821 -10.178 15.181 1.00 0.00 C ATOM 1269 CG2 VAL A 84 5.432 -9.829 13.311 1.00 0.00 C ATOM 0 H VAL A 84 6.573 -8.157 15.082 1.00 0.00 H new ATOM 0 HA VAL A 84 6.041 -10.610 16.648 1.00 0.00 H new ATOM 0 HB VAL A 84 5.356 -11.574 14.556 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.094 -10.465 14.421 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.625 -10.732 16.099 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.737 -9.109 15.378 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.638 -10.147 12.635 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.398 -8.746 13.427 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.398 -10.120 12.898 1.00 0.00 H new ATOM 1279 N GLU A 85 8.664 -9.797 14.895 1.00 0.00 N ATOM 1280 CA GLU A 85 10.038 -10.257 14.637 1.00 0.00 C ATOM 1281 C GLU A 85 11.025 -9.078 14.589 1.00 0.00 C ATOM 1282 O GLU A 85 10.608 -7.924 14.481 1.00 0.00 O ATOM 1283 CB GLU A 85 10.037 -11.088 13.333 1.00 0.00 C ATOM 1284 CG GLU A 85 11.344 -11.759 12.896 1.00 0.00 C ATOM 1285 CD GLU A 85 11.891 -12.731 13.948 1.00 0.00 C ATOM 1286 OE1 GLU A 85 12.450 -12.268 14.968 1.00 0.00 O ATOM 1287 OE2 GLU A 85 11.766 -13.961 13.747 1.00 0.00 O ATOM 0 H GLU A 85 8.500 -8.814 14.679 1.00 0.00 H new ATOM 0 HA GLU A 85 10.380 -10.891 15.455 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.282 -11.867 13.436 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.712 -10.435 12.523 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.177 -12.297 11.963 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.091 -10.992 12.693 1.00 0.00 H new ATOM 1294 N THR A 86 12.330 -9.364 14.642 1.00 0.00 N ATOM 1295 CA THR A 86 13.426 -8.404 14.516 1.00 0.00 C ATOM 1296 C THR A 86 14.502 -9.008 13.593 1.00 0.00 C ATOM 1297 O THR A 86 14.649 -10.231 13.514 1.00 0.00 O ATOM 1298 CB THR A 86 14.005 -8.095 15.915 1.00 0.00 C ATOM 1299 OG1 THR A 86 12.981 -7.809 16.853 1.00 0.00 O ATOM 1300 CG2 THR A 86 14.978 -6.910 15.918 1.00 0.00 C ATOM 0 H THR A 86 12.664 -10.318 14.781 1.00 0.00 H new ATOM 0 HA THR A 86 13.070 -7.469 14.084 1.00 0.00 H new ATOM 0 HB THR A 86 14.545 -8.999 16.197 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.382 -7.620 17.727 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.348 -6.746 16.930 1.00 0.00 H new ATOM 0 HG22 THR A 86 15.816 -7.126 15.256 1.00 0.00 H new ATOM 0 HG23 THR A 86 14.462 -6.015 15.571 1.00 0.00 H new ATOM 1308 N SER A 87 15.260 -8.175 12.879 1.00 0.00 N ATOM 1309 CA SER A 87 16.438 -8.546 12.096 1.00 0.00 C ATOM 1310 C SER A 87 17.403 -7.352 12.064 1.00 0.00 C ATOM 1311 O SER A 87 16.984 -6.217 12.287 1.00 0.00 O ATOM 1312 CB SER A 87 15.997 -8.956 10.684 1.00 0.00 C ATOM 1313 OG SER A 87 15.224 -10.142 10.740 1.00 0.00 O ATOM 0 H SER A 87 15.059 -7.176 12.829 1.00 0.00 H new ATOM 0 HA SER A 87 16.954 -9.394 12.546 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.415 -8.154 10.229 1.00 0.00 H new ATOM 0 HB3 SER A 87 16.872 -9.112 10.053 1.00 0.00 H new ATOM 0 HG SER A 87 15.041 -10.369 11.676 1.00 0.00 H new ATOM 1319 N VAL A 88 18.693 -7.580 11.806 1.00 0.00 N ATOM 1320 CA VAL A 88 19.721 -6.536 11.810 1.00 0.00 C ATOM 1321 C VAL A 88 20.585 -6.709 10.556 1.00 0.00 C ATOM 1322 O VAL A 88 20.804 -7.840 10.106 1.00 0.00 O ATOM 1323 CB VAL A 88 20.545 -6.614 13.121 1.00 0.00 C ATOM 1324 CG1 VAL A 88 21.558 -5.464 13.244 1.00 0.00 C ATOM 1325 CG2 VAL A 88 19.662 -6.592 14.383 1.00 0.00 C ATOM 0 H VAL A 88 19.058 -8.507 11.586 1.00 0.00 H new ATOM 0 HA VAL A 88 19.274 -5.542 11.782 1.00 0.00 H new ATOM 0 HB VAL A 88 21.068 -7.568 13.058 1.00 0.00 H new ATOM 0 HG11 VAL A 88 22.110 -5.564 14.179 1.00 0.00 H new ATOM 0 HG12 VAL A 88 22.254 -5.501 12.406 1.00 0.00 H new ATOM 0 HG13 VAL A 88 21.029 -4.511 13.235 1.00 0.00 H new ATOM 0 HG21 VAL A 88 20.293 -6.649 15.270 1.00 0.00 H new ATOM 0 HG22 VAL A 88 19.085 -5.668 14.407 1.00 0.00 H new ATOM 0 HG23 VAL A 88 18.982 -7.444 14.366 1.00 0.00 H new ATOM 1335 N GLY A 89 21.102 -5.603 10.017 1.00 0.00 N ATOM 1336 CA GLY A 89 22.077 -5.604 8.936 1.00 0.00 C ATOM 1337 C GLY A 89 21.431 -5.755 7.559 1.00 0.00 C ATOM 1338 O GLY A 89 20.212 -5.893 7.429 1.00 0.00 O ATOM 0 H GLY A 89 20.847 -4.666 10.329 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.647 -4.675 8.965 1.00 0.00 H new ATOM 0 HA3 GLY A 89 22.785 -6.418 9.092 1.00 0.00 H new ATOM 1342 N PHE A 90 22.266 -5.706 6.517 1.00 0.00 N ATOM 1343 CA PHE A 90 21.842 -5.924 5.139 1.00 0.00 C ATOM 1344 C PHE A 90 21.300 -7.347 4.988 1.00 0.00 C ATOM 1345 O PHE A 90 21.942 -8.299 5.436 1.00 0.00 O ATOM 1346 CB PHE A 90 23.026 -5.683 4.190 1.00 0.00 C ATOM 1347 CG PHE A 90 22.705 -5.914 2.723 1.00 0.00 C ATOM 1348 CD1 PHE A 90 22.786 -7.209 2.172 1.00 0.00 C ATOM 1349 CD2 PHE A 90 22.316 -4.835 1.907 1.00 0.00 C ATOM 1350 CE1 PHE A 90 22.463 -7.426 0.821 1.00 0.00 C ATOM 1351 CE2 PHE A 90 22.010 -5.050 0.551 1.00 0.00 C ATOM 1352 CZ PHE A 90 22.076 -6.345 0.009 1.00 0.00 C ATOM 0 H PHE A 90 23.263 -5.512 6.611 1.00 0.00 H new ATOM 0 HA PHE A 90 21.047 -5.223 4.882 1.00 0.00 H new ATOM 0 HB2 PHE A 90 23.376 -4.659 4.317 1.00 0.00 H new ATOM 0 HB3 PHE A 90 23.848 -6.339 4.478 1.00 0.00 H new ATOM 0 HD1 PHE A 90 23.097 -8.038 2.790 1.00 0.00 H new ATOM 0 HD2 PHE A 90 22.252 -3.840 2.323 1.00 0.00 H new ATOM 0 HE1 PHE A 90 22.512 -8.422 0.407 1.00 0.00 H new ATOM 0 HE2 PHE A 90 21.724 -4.218 -0.075 1.00 0.00 H new ATOM 0 HZ PHE A 90 21.830 -6.510 -1.030 1.00 0.00 H new ATOM 1362 N LYS A 91 20.165 -7.487 4.299 1.00 0.00 N ATOM 1363 CA LYS A 91 19.513 -8.748 3.946 1.00 0.00 C ATOM 1364 C LYS A 91 19.086 -8.607 2.480 1.00 0.00 C ATOM 1365 O LYS A 91 18.563 -7.545 2.129 1.00 0.00 O ATOM 1366 CB LYS A 91 18.266 -8.968 4.834 1.00 0.00 C ATOM 1367 CG LYS A 91 18.404 -9.987 5.977 1.00 0.00 C ATOM 1368 CD LYS A 91 19.561 -9.732 6.949 1.00 0.00 C ATOM 1369 CE LYS A 91 19.451 -10.633 8.186 1.00 0.00 C ATOM 1370 NZ LYS A 91 20.623 -10.481 9.085 1.00 0.00 N ATOM 0 H LYS A 91 19.649 -6.678 3.954 1.00 0.00 H new ATOM 0 HA LYS A 91 20.181 -9.597 4.093 1.00 0.00 H new ATOM 0 HB2 LYS A 91 17.982 -8.008 5.266 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.443 -9.285 4.193 1.00 0.00 H new ATOM 0 HG2 LYS A 91 17.473 -10.001 6.543 1.00 0.00 H new ATOM 0 HG3 LYS A 91 18.528 -10.979 5.543 1.00 0.00 H new ATOM 0 HD2 LYS A 91 20.510 -9.915 6.445 1.00 0.00 H new ATOM 0 HD3 LYS A 91 19.559 -8.686 7.256 1.00 0.00 H new ATOM 0 HE2 LYS A 91 18.540 -10.390 8.733 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.367 -11.673 7.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.528 -11.130 9.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 21.493 -10.704 8.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 20.669 -9.502 9.432 1.00 0.00 H new ATOM 1384 N PRO A 92 19.288 -9.625 1.625 1.00 0.00 N ATOM 1385 CA PRO A 92 18.833 -9.587 0.241 1.00 0.00 C ATOM 1386 C PRO A 92 17.304 -9.685 0.173 1.00 0.00 C ATOM 1387 O PRO A 92 16.659 -10.186 1.095 1.00 0.00 O ATOM 1388 CB PRO A 92 19.521 -10.773 -0.445 1.00 0.00 C ATOM 1389 CG PRO A 92 19.718 -11.775 0.691 1.00 0.00 C ATOM 1390 CD PRO A 92 19.970 -10.880 1.904 1.00 0.00 C ATOM 0 HA PRO A 92 19.089 -8.651 -0.255 1.00 0.00 H new ATOM 0 HB2 PRO A 92 18.906 -11.187 -1.244 1.00 0.00 H new ATOM 0 HB3 PRO A 92 20.471 -10.482 -0.893 1.00 0.00 H new ATOM 0 HG2 PRO A 92 18.839 -12.404 0.830 1.00 0.00 H new ATOM 0 HG3 PRO A 92 20.560 -12.441 0.500 1.00 0.00 H new ATOM 0 HD2 PRO A 92 19.585 -11.339 2.814 1.00 0.00 H new ATOM 0 HD3 PRO A 92 21.037 -10.719 2.055 1.00 0.00 H new ATOM 1398 N LYS A 93 16.717 -9.264 -0.951 1.00 0.00 N ATOM 1399 CA LYS A 93 15.261 -9.235 -1.148 1.00 0.00 C ATOM 1400 C LYS A 93 14.603 -10.602 -1.011 1.00 0.00 C ATOM 1401 O LYS A 93 13.437 -10.675 -0.627 1.00 0.00 O ATOM 1402 CB LYS A 93 14.905 -8.576 -2.492 1.00 0.00 C ATOM 1403 CG LYS A 93 15.548 -9.220 -3.736 1.00 0.00 C ATOM 1404 CD LYS A 93 15.490 -8.249 -4.924 1.00 0.00 C ATOM 1405 CE LYS A 93 16.065 -8.898 -6.191 1.00 0.00 C ATOM 1406 NZ LYS A 93 16.253 -7.916 -7.289 1.00 0.00 N ATOM 0 H LYS A 93 17.242 -8.930 -1.759 1.00 0.00 H new ATOM 0 HA LYS A 93 14.854 -8.627 -0.340 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.822 -8.597 -2.612 1.00 0.00 H new ATOM 0 HB3 LYS A 93 15.201 -7.528 -2.453 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.584 -9.485 -3.523 1.00 0.00 H new ATOM 0 HG3 LYS A 93 15.028 -10.144 -3.986 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.458 -7.947 -5.102 1.00 0.00 H new ATOM 0 HD3 LYS A 93 16.051 -7.345 -4.687 1.00 0.00 H new ATOM 0 HE2 LYS A 93 17.021 -9.365 -5.956 1.00 0.00 H new ATOM 0 HE3 LYS A 93 15.397 -9.691 -6.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 16.294 -8.417 -8.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.456 -7.248 -7.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.141 -7.395 -7.140 1.00 0.00 H new ATOM 1420 N GLU A 94 15.321 -11.679 -1.319 1.00 0.00 N ATOM 1421 CA GLU A 94 14.840 -13.037 -1.104 1.00 0.00 C ATOM 1422 C GLU A 94 14.687 -13.309 0.399 1.00 0.00 C ATOM 1423 O GLU A 94 13.627 -13.747 0.841 1.00 0.00 O ATOM 1424 CB GLU A 94 15.802 -14.027 -1.780 1.00 0.00 C ATOM 1425 CG GLU A 94 15.293 -15.473 -1.707 1.00 0.00 C ATOM 1426 CD GLU A 94 16.210 -16.433 -2.488 1.00 0.00 C ATOM 1427 OE1 GLU A 94 17.216 -16.921 -1.924 1.00 0.00 O ATOM 1428 OE2 GLU A 94 15.924 -16.726 -3.672 1.00 0.00 O ATOM 0 H GLU A 94 16.255 -11.632 -1.726 1.00 0.00 H new ATOM 0 HA GLU A 94 13.856 -13.165 -1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.937 -13.744 -2.824 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.780 -13.964 -1.303 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.237 -15.788 -0.665 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.282 -15.525 -2.110 1.00 0.00 H new ATOM 1435 N ALA A 95 15.710 -12.991 1.201 1.00 0.00 N ATOM 1436 CA ALA A 95 15.660 -13.172 2.647 1.00 0.00 C ATOM 1437 C ALA A 95 14.579 -12.285 3.266 1.00 0.00 C ATOM 1438 O ALA A 95 13.878 -12.710 4.183 1.00 0.00 O ATOM 1439 CB ALA A 95 17.025 -12.870 3.275 1.00 0.00 C ATOM 0 H ALA A 95 16.590 -12.603 0.862 1.00 0.00 H new ATOM 0 HA ALA A 95 15.408 -14.213 2.852 1.00 0.00 H new ATOM 0 HB1 ALA A 95 16.968 -13.010 4.354 1.00 0.00 H new ATOM 0 HB2 ALA A 95 17.774 -13.545 2.860 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.306 -11.839 3.058 1.00 0.00 H new ATOM 1445 N LEU A 96 14.416 -11.065 2.750 1.00 0.00 N ATOM 1446 CA LEU A 96 13.368 -10.165 3.204 1.00 0.00 C ATOM 1447 C LEU A 96 11.985 -10.720 2.882 1.00 0.00 C ATOM 1448 O LEU A 96 11.097 -10.648 3.725 1.00 0.00 O ATOM 1449 CB LEU A 96 13.510 -8.771 2.591 1.00 0.00 C ATOM 1450 CG LEU A 96 14.755 -7.965 3.008 1.00 0.00 C ATOM 1451 CD1 LEU A 96 14.731 -6.597 2.318 1.00 0.00 C ATOM 1452 CD2 LEU A 96 14.827 -7.768 4.526 1.00 0.00 C ATOM 0 H LEU A 96 15.005 -10.680 2.011 1.00 0.00 H new ATOM 0 HA LEU A 96 13.477 -10.081 4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.517 -8.874 1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 96 12.624 -8.191 2.851 1.00 0.00 H new ATOM 0 HG LEU A 96 15.636 -8.530 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 96 15.611 -6.026 2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.732 -6.735 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.832 -6.056 2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 96 15.720 -7.195 4.777 1.00 0.00 H new ATOM 0 HD22 LEU A 96 13.943 -7.229 4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 96 14.870 -8.740 5.017 1.00 0.00 H new ATOM 1464 N GLN A 97 11.784 -11.295 1.699 1.00 0.00 N ATOM 1465 CA GLN A 97 10.524 -11.948 1.371 1.00 0.00 C ATOM 1466 C GLN A 97 10.248 -13.073 2.354 1.00 0.00 C ATOM 1467 O GLN A 97 9.114 -13.209 2.804 1.00 0.00 O ATOM 1468 CB GLN A 97 10.542 -12.500 -0.063 1.00 0.00 C ATOM 1469 CG GLN A 97 10.046 -11.458 -1.060 1.00 0.00 C ATOM 1470 CD GLN A 97 10.453 -11.803 -2.489 1.00 0.00 C ATOM 1471 OE1 GLN A 97 9.704 -12.410 -3.249 1.00 0.00 O ATOM 1472 NE2 GLN A 97 11.665 -11.428 -2.868 1.00 0.00 N ATOM 0 H GLN A 97 12.479 -11.321 0.953 1.00 0.00 H new ATOM 0 HA GLN A 97 9.730 -11.204 1.441 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.555 -12.805 -0.325 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.916 -13.390 -0.121 1.00 0.00 H new ATOM 0 HG2 GLN A 97 8.960 -11.384 -0.999 1.00 0.00 H new ATOM 0 HG3 GLN A 97 10.447 -10.480 -0.794 1.00 0.00 H new ATOM 0 HE21 GLN A 97 12.269 -10.925 -2.219 1.00 0.00 H new ATOM 0 HE22 GLN A 97 11.994 -11.643 -3.809 1.00 0.00 H new ATOM 1481 N GLU A 98 11.265 -13.849 2.724 1.00 0.00 N ATOM 1482 CA GLU A 98 11.085 -14.931 3.684 1.00 0.00 C ATOM 1483 C GLU A 98 10.696 -14.369 5.053 1.00 0.00 C ATOM 1484 O GLU A 98 9.793 -14.898 5.698 1.00 0.00 O ATOM 1485 CB GLU A 98 12.332 -15.826 3.778 1.00 0.00 C ATOM 1486 CG GLU A 98 12.521 -16.696 2.528 1.00 0.00 C ATOM 1487 CD GLU A 98 13.692 -17.681 2.701 1.00 0.00 C ATOM 1488 OE1 GLU A 98 14.870 -17.273 2.582 1.00 0.00 O ATOM 1489 OE2 GLU A 98 13.444 -18.884 2.947 1.00 0.00 O ATOM 0 H GLU A 98 12.218 -13.748 2.374 1.00 0.00 H new ATOM 0 HA GLU A 98 10.271 -15.562 3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.214 -15.202 3.920 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.251 -16.468 4.655 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.604 -17.250 2.326 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.705 -16.058 1.663 1.00 0.00 H new ATOM 1496 N LEU A 99 11.317 -13.264 5.472 1.00 0.00 N ATOM 1497 CA LEU A 99 11.033 -12.579 6.717 1.00 0.00 C ATOM 1498 C LEU A 99 9.580 -12.090 6.749 1.00 0.00 C ATOM 1499 O LEU A 99 8.896 -12.281 7.752 1.00 0.00 O ATOM 1500 CB LEU A 99 12.047 -11.432 6.846 1.00 0.00 C ATOM 1501 CG LEU A 99 11.861 -10.576 8.100 1.00 0.00 C ATOM 1502 CD1 LEU A 99 12.111 -11.400 9.365 1.00 0.00 C ATOM 1503 CD2 LEU A 99 12.811 -9.375 8.044 1.00 0.00 C ATOM 0 H LEU A 99 12.054 -12.814 4.930 1.00 0.00 H new ATOM 0 HA LEU A 99 11.137 -13.249 7.570 1.00 0.00 H new ATOM 0 HB2 LEU A 99 13.054 -11.849 6.849 1.00 0.00 H new ATOM 0 HB3 LEU A 99 11.970 -10.792 5.967 1.00 0.00 H new ATOM 0 HG LEU A 99 10.832 -10.219 8.134 1.00 0.00 H new ATOM 0 HD11 LEU A 99 11.973 -10.769 10.243 1.00 0.00 H new ATOM 0 HD12 LEU A 99 11.408 -12.232 9.402 1.00 0.00 H new ATOM 0 HD13 LEU A 99 13.130 -11.786 9.352 1.00 0.00 H new ATOM 0 HD21 LEU A 99 12.679 -8.765 8.937 1.00 0.00 H new ATOM 0 HD22 LEU A 99 13.841 -9.728 7.995 1.00 0.00 H new ATOM 0 HD23 LEU A 99 12.590 -8.777 7.160 1.00 0.00 H new ATOM 1515 N VAL A 100 9.083 -11.510 5.653 1.00 0.00 N ATOM 1516 CA VAL A 100 7.679 -11.133 5.502 1.00 0.00 C ATOM 1517 C VAL A 100 6.802 -12.389 5.594 1.00 0.00 C ATOM 1518 O VAL A 100 5.800 -12.414 6.312 1.00 0.00 O ATOM 1519 CB VAL A 100 7.495 -10.398 4.154 1.00 0.00 C ATOM 1520 CG1 VAL A 100 6.028 -10.080 3.836 1.00 0.00 C ATOM 1521 CG2 VAL A 100 8.287 -9.084 4.092 1.00 0.00 C ATOM 0 H VAL A 100 9.653 -11.287 4.837 1.00 0.00 H new ATOM 0 HA VAL A 100 7.375 -10.456 6.300 1.00 0.00 H new ATOM 0 HB VAL A 100 7.878 -11.098 3.411 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.967 -9.564 2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.457 -11.007 3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.616 -9.442 4.618 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.124 -8.606 3.126 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.951 -8.419 4.887 1.00 0.00 H new ATOM 0 HG23 VAL A 100 9.349 -9.293 4.219 1.00 0.00 H new ATOM 1531 N ASN A 101 7.196 -13.446 4.882 1.00 0.00 N ATOM 1532 CA ASN A 101 6.432 -14.678 4.720 1.00 0.00 C ATOM 1533 C ASN A 101 6.197 -15.393 6.052 1.00 0.00 C ATOM 1534 O ASN A 101 5.173 -16.059 6.202 1.00 0.00 O ATOM 1535 CB ASN A 101 7.138 -15.580 3.697 1.00 0.00 C ATOM 1536 CG ASN A 101 6.276 -16.750 3.248 1.00 0.00 C ATOM 1537 OD1 ASN A 101 6.157 -17.766 3.925 1.00 0.00 O ATOM 1538 ND2 ASN A 101 5.686 -16.639 2.070 1.00 0.00 N ATOM 0 H ASN A 101 8.087 -13.466 4.386 1.00 0.00 H new ATOM 0 HA ASN A 101 5.441 -14.427 4.343 1.00 0.00 H new ATOM 0 HB2 ASN A 101 7.417 -14.986 2.827 1.00 0.00 H new ATOM 0 HB3 ASN A 101 8.062 -15.961 4.132 1.00 0.00 H new ATOM 0 HD21 ASN A 101 5.120 -17.407 1.709 1.00 0.00 H new ATOM 0 HD22 ASN A 101 5.797 -15.786 1.522 1.00 0.00 H new ATOM 1545 N LYS A 102 7.068 -15.189 7.054 1.00 0.00 N ATOM 1546 CA LYS A 102 6.854 -15.690 8.418 1.00 0.00 C ATOM 1547 C LYS A 102 5.524 -15.217 9.017 1.00 0.00 C ATOM 1548 O LYS A 102 5.009 -15.886 9.915 1.00 0.00 O ATOM 1549 CB LYS A 102 7.985 -15.259 9.374 1.00 0.00 C ATOM 1550 CG LYS A 102 9.376 -15.814 9.031 1.00 0.00 C ATOM 1551 CD LYS A 102 10.418 -15.554 10.133 1.00 0.00 C ATOM 1552 CE LYS A 102 10.145 -16.396 11.389 1.00 0.00 C ATOM 1553 NZ LYS A 102 11.243 -16.315 12.384 1.00 0.00 N ATOM 0 H LYS A 102 7.940 -14.672 6.939 1.00 0.00 H new ATOM 0 HA LYS A 102 6.840 -16.776 8.322 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.037 -14.170 9.382 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.725 -15.573 10.385 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.300 -16.887 8.857 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.721 -15.364 8.100 1.00 0.00 H new ATOM 0 HD2 LYS A 102 11.414 -15.782 9.752 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.412 -14.496 10.396 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.216 -16.061 11.851 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.999 -17.437 11.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.992 -16.874 13.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.118 -16.691 11.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 11.390 -15.323 12.659 1.00 0.00 H new ATOM 1567 N HIS A 103 4.971 -14.092 8.549 1.00 0.00 N ATOM 1568 CA HIS A 103 3.842 -13.419 9.189 1.00 0.00 C ATOM 1569 C HIS A 103 2.640 -13.231 8.261 1.00 0.00 C ATOM 1570 O HIS A 103 1.578 -12.828 8.741 1.00 0.00 O ATOM 1571 CB HIS A 103 4.326 -12.076 9.753 1.00 0.00 C ATOM 1572 CG HIS A 103 5.541 -12.222 10.633 1.00 0.00 C ATOM 1573 ND1 HIS A 103 5.613 -12.918 11.821 1.00 0.00 N ATOM 1574 CD2 HIS A 103 6.805 -11.791 10.338 1.00 0.00 C ATOM 1575 CE1 HIS A 103 6.891 -12.895 12.234 1.00 0.00 C ATOM 1576 NE2 HIS A 103 7.657 -12.219 11.360 1.00 0.00 N ATOM 0 H HIS A 103 5.300 -13.621 7.706 1.00 0.00 H new ATOM 0 HA HIS A 103 3.482 -14.059 9.995 1.00 0.00 H new ATOM 0 HB2 HIS A 103 4.558 -11.402 8.928 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.521 -11.615 10.325 1.00 0.00 H new ATOM 0 HD1 HIS A 103 4.835 -13.370 12.301 1.00 0.00 H new ATOM 0 HD2 HIS A 103 7.094 -11.220 9.468 1.00 0.00 H new ATOM 0 HE1 HIS A 103 7.253 -13.355 13.142 1.00 0.00 H new ATOM 1584 N LEU A 104 2.768 -13.522 6.962 1.00 0.00 N ATOM 1585 CA LEU A 104 1.631 -13.545 6.045 1.00 0.00 C ATOM 1586 C LEU A 104 0.598 -14.548 6.547 1.00 0.00 C ATOM 1587 O LEU A 104 -0.601 -14.204 6.566 1.00 0.00 O ATOM 1588 CB LEU A 104 2.059 -13.895 4.610 1.00 0.00 C ATOM 1589 CG LEU A 104 2.948 -12.849 3.917 1.00 0.00 C ATOM 1590 CD1 LEU A 104 3.293 -13.340 2.508 1.00 0.00 C ATOM 1591 CD2 LEU A 104 2.287 -11.470 3.827 1.00 0.00 C ATOM 1592 OXT LEU A 104 0.978 -15.688 6.891 1.00 0.00 O ATOM 0 H LEU A 104 3.660 -13.747 6.521 1.00 0.00 H new ATOM 0 HA LEU A 104 1.196 -12.546 6.018 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.592 -14.846 4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.163 -14.044 4.007 1.00 0.00 H new ATOM 0 HG LEU A 104 3.847 -12.734 4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.923 -12.603 2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.826 -14.289 2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.375 -13.478 1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.962 -10.775 3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.361 -11.547 3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.067 -11.106 4.831 1.00 0.00 H new