USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 898 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 11 SER OG : rot 180:sc= -0.892 USER MOD Set 1.2: A 101 LYS NZ :NH3+ -175:sc= -1.71 (180deg=-1.73!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 37:sc= 1.07 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -59:sc= 0.16 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.576 K(o=-0.58,f=-6.8!) USER MOD Single : A 10 ASN : amide:sc= -2.15! C(o=-2.1!,f=-1.7!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -2.46 K(o=-2.5,f=-9.3!) USER MOD Single : A 27 SER OG : rot 77:sc= 0.837 USER MOD Single : A 31 THR OG1 : rot -150:sc= -0.0388 USER MOD Single : A 35 GLN : amide:sc= -1.86 K(o=-1.9,f=-4) USER MOD Single : A 46 ASN : amide:sc= -1.12 K(o=-1.1,f=-6.7!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.004 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= -0.0847 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.339 X(o=-0.34,f=0.067) USER MOD Single : A 85 ASN : amide:sc= -0.87 K(o=-0.87,f=-0.23) USER MOD Single : A 86 GLN : amide:sc= -0.196 K(o=-0.2,f=-1.4) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -162:sc=-0.00466 (180deg=-0.4) USER MOD Single : A 98 GLN : amide:sc=-0.00143 K(o=-0.0014,f=-0.95) USER MOD Single : A 102 THR OG1 : rot 40:sc= 0.448 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ -93:sc= -0.106 (180deg=-1.22) USER MOD Single : A 115 ASN : amide:sc= -2.44! K(o=-2.4!,f=-0.56) USER MOD Single : A 117 ASN : amide:sc=-0.00545 X(o=-0.0054,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.089 11.492 28.964 1.00 0.00 N ATOM 2 CA GLY A 1 4.409 11.922 27.757 1.00 0.00 C ATOM 3 C GLY A 1 4.399 13.430 27.603 1.00 0.00 C ATOM 4 O GLY A 1 3.627 14.123 28.265 1.00 0.00 O ATOM 0 H1 GLY A 1 5.068 10.454 29.023 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.076 11.818 28.941 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.610 11.895 29.795 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.896 11.475 26.890 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.383 11.555 27.771 1.00 0.00 H new ATOM 8 N SER A 2 5.260 13.939 26.728 1.00 0.00 N ATOM 9 CA SER A 2 5.351 15.376 26.493 1.00 0.00 C ATOM 10 C SER A 2 4.270 15.837 25.521 1.00 0.00 C ATOM 11 O SER A 2 4.423 15.722 24.305 1.00 0.00 O ATOM 12 CB SER A 2 6.733 15.737 25.945 1.00 0.00 C ATOM 13 OG SER A 2 6.963 15.118 24.692 1.00 0.00 O ATOM 0 H SER A 2 5.904 13.379 26.170 1.00 0.00 H new ATOM 0 HA SER A 2 5.200 15.886 27.445 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.815 16.819 25.840 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.501 15.427 26.654 1.00 0.00 H new ATOM 0 HG SER A 2 6.131 15.107 24.175 1.00 0.00 H new ATOM 19 N SER A 3 3.176 16.359 26.066 1.00 0.00 N ATOM 20 CA SER A 3 2.066 16.835 25.249 1.00 0.00 C ATOM 21 C SER A 3 2.569 17.723 24.114 1.00 0.00 C ATOM 22 O SER A 3 3.446 18.563 24.310 1.00 0.00 O ATOM 23 CB SER A 3 1.065 17.606 26.110 1.00 0.00 C ATOM 24 OG SER A 3 1.637 18.802 26.610 1.00 0.00 O ATOM 0 H SER A 3 3.035 16.463 27.071 1.00 0.00 H new ATOM 0 HA SER A 3 1.568 15.968 24.815 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.179 17.842 25.520 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.738 16.981 26.941 1.00 0.00 H new ATOM 0 HG SER A 3 0.976 19.277 27.156 1.00 0.00 H new ATOM 30 N GLY A 4 2.005 17.529 22.925 1.00 0.00 N ATOM 31 CA GLY A 4 2.408 18.319 21.776 1.00 0.00 C ATOM 32 C GLY A 4 1.234 18.997 21.099 1.00 0.00 C ATOM 33 O GLY A 4 0.480 19.731 21.737 1.00 0.00 O ATOM 0 H GLY A 4 1.277 16.840 22.737 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.127 19.075 22.093 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.917 17.676 21.057 1.00 0.00 H new ATOM 37 N SER A 5 1.080 18.754 19.801 1.00 0.00 N ATOM 38 CA SER A 5 -0.008 19.351 19.036 1.00 0.00 C ATOM 39 C SER A 5 0.179 20.861 18.914 1.00 0.00 C ATOM 40 O SER A 5 -0.765 21.630 19.094 1.00 0.00 O ATOM 41 CB SER A 5 -1.353 19.044 19.695 1.00 0.00 C ATOM 42 OG SER A 5 -2.429 19.337 18.820 1.00 0.00 O ATOM 0 H SER A 5 1.695 18.148 19.258 1.00 0.00 H new ATOM 0 HA SER A 5 0.004 18.918 18.036 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.389 17.993 19.982 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.455 19.628 20.610 1.00 0.00 H new ATOM 0 HG SER A 5 -2.401 20.285 18.573 1.00 0.00 H new ATOM 48 N SER A 6 1.404 21.276 18.607 1.00 0.00 N ATOM 49 CA SER A 6 1.717 22.693 18.465 1.00 0.00 C ATOM 50 C SER A 6 2.453 22.959 17.156 1.00 0.00 C ATOM 51 O SER A 6 3.499 22.367 16.888 1.00 0.00 O ATOM 52 CB SER A 6 2.564 23.171 19.646 1.00 0.00 C ATOM 53 OG SER A 6 2.659 24.585 19.667 1.00 0.00 O ATOM 0 H SER A 6 2.195 20.651 18.452 1.00 0.00 H new ATOM 0 HA SER A 6 0.778 23.247 18.452 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.124 22.819 20.579 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.562 22.737 19.581 1.00 0.00 H new ATOM 0 HG SER A 6 3.204 24.865 20.432 1.00 0.00 H new ATOM 59 N GLY A 7 1.899 23.853 16.342 1.00 0.00 N ATOM 60 CA GLY A 7 2.516 24.181 15.071 1.00 0.00 C ATOM 61 C GLY A 7 2.465 23.029 14.087 1.00 0.00 C ATOM 62 O GLY A 7 2.478 21.865 14.483 1.00 0.00 O ATOM 0 H GLY A 7 1.034 24.356 16.541 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.013 25.046 14.639 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.555 24.467 15.238 1.00 0.00 H new ATOM 66 N ASN A 8 2.404 23.355 12.799 1.00 0.00 N ATOM 67 CA ASN A 8 2.348 22.338 11.756 1.00 0.00 C ATOM 68 C ASN A 8 3.507 22.498 10.777 1.00 0.00 C ATOM 69 O ASN A 8 3.829 23.610 10.356 1.00 0.00 O ATOM 70 CB ASN A 8 1.017 22.420 11.005 1.00 0.00 C ATOM 71 CG ASN A 8 0.736 21.174 10.188 1.00 0.00 C ATOM 72 OD1 ASN A 8 1.635 20.374 9.927 1.00 0.00 O ATOM 73 ND2 ASN A 8 -0.516 21.005 9.779 1.00 0.00 N ATOM 0 H ASN A 8 2.392 24.315 12.454 1.00 0.00 H new ATOM 0 HA ASN A 8 2.430 21.361 12.232 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.208 22.572 11.720 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.028 23.288 10.346 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.765 20.186 9.225 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.228 21.694 10.019 1.00 0.00 H new ATOM 80 N ASP A 9 4.130 21.381 10.418 1.00 0.00 N ATOM 81 CA ASP A 9 5.253 21.397 9.487 1.00 0.00 C ATOM 82 C ASP A 9 4.802 20.999 8.085 1.00 0.00 C ATOM 83 O ASP A 9 3.734 20.414 7.909 1.00 0.00 O ATOM 84 CB ASP A 9 6.355 20.453 9.969 1.00 0.00 C ATOM 85 CG ASP A 9 6.857 20.808 11.355 1.00 0.00 C ATOM 86 OD1 ASP A 9 6.023 20.910 12.279 1.00 0.00 O ATOM 87 OD2 ASP A 9 8.083 20.985 11.516 1.00 0.00 O ATOM 0 H ASP A 9 3.877 20.453 10.757 1.00 0.00 H new ATOM 0 HA ASP A 9 5.647 22.413 9.448 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.977 19.431 9.974 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.187 20.482 9.266 1.00 0.00 H new ATOM 92 N ASN A 10 5.623 21.321 7.091 1.00 0.00 N ATOM 93 CA ASN A 10 5.307 20.999 5.704 1.00 0.00 C ATOM 94 C ASN A 10 6.227 19.901 5.178 1.00 0.00 C ATOM 95 O ASN A 10 7.132 20.162 4.386 1.00 0.00 O ATOM 96 CB ASN A 10 5.431 22.246 4.828 1.00 0.00 C ATOM 97 CG ASN A 10 6.865 22.723 4.700 1.00 0.00 C ATOM 98 OD1 ASN A 10 7.497 22.553 3.657 1.00 0.00 O ATOM 99 ND2 ASN A 10 7.385 23.324 5.763 1.00 0.00 N ATOM 0 H ASN A 10 6.512 21.804 7.220 1.00 0.00 H new ATOM 0 HA ASN A 10 4.279 20.638 5.666 1.00 0.00 H new ATOM 0 HB2 ASN A 10 5.033 22.031 3.836 1.00 0.00 H new ATOM 0 HB3 ASN A 10 4.822 23.045 5.250 1.00 0.00 H new ATOM 0 HD21 ASN A 10 8.345 23.667 5.736 1.00 0.00 H new ATOM 0 HD22 ASN A 10 6.824 23.443 6.607 1.00 0.00 H new ATOM 106 N SER A 11 5.988 18.672 5.625 1.00 0.00 N ATOM 107 CA SER A 11 6.797 17.534 5.203 1.00 0.00 C ATOM 108 C SER A 11 5.932 16.473 4.529 1.00 0.00 C ATOM 109 O SER A 11 4.743 16.332 4.815 1.00 0.00 O ATOM 110 CB SER A 11 7.527 16.927 6.402 1.00 0.00 C ATOM 111 OG SER A 11 8.267 17.913 7.101 1.00 0.00 O ATOM 0 H SER A 11 5.241 18.439 6.279 1.00 0.00 H new ATOM 0 HA SER A 11 7.533 17.890 4.482 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.805 16.464 7.075 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.197 16.138 6.062 1.00 0.00 H new ATOM 0 HG SER A 11 8.723 17.500 7.864 1.00 0.00 H new ATOM 117 N PRO A 12 6.543 15.707 3.613 1.00 0.00 N ATOM 118 CA PRO A 12 5.848 14.645 2.879 1.00 0.00 C ATOM 119 C PRO A 12 5.491 13.462 3.773 1.00 0.00 C ATOM 120 O PRO A 12 6.314 12.576 4.004 1.00 0.00 O ATOM 121 CB PRO A 12 6.866 14.224 1.816 1.00 0.00 C ATOM 122 CG PRO A 12 8.190 14.585 2.396 1.00 0.00 C ATOM 123 CD PRO A 12 7.958 15.820 3.223 1.00 0.00 C ATOM 0 HA PRO A 12 4.899 14.987 2.467 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.803 13.156 1.608 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.692 14.743 0.873 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.582 13.773 3.009 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.922 14.773 1.610 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.614 15.850 4.093 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.146 16.728 2.651 1.00 0.00 H new ATOM 131 N ARG A 13 4.260 13.454 4.272 1.00 0.00 N ATOM 132 CA ARG A 13 3.794 12.380 5.141 1.00 0.00 C ATOM 133 C ARG A 13 2.862 11.436 4.387 1.00 0.00 C ATOM 134 O ARG A 13 2.123 11.857 3.497 1.00 0.00 O ATOM 135 CB ARG A 13 3.075 12.957 6.361 1.00 0.00 C ATOM 136 CG ARG A 13 4.012 13.589 7.378 1.00 0.00 C ATOM 137 CD ARG A 13 4.558 12.554 8.350 1.00 0.00 C ATOM 138 NE ARG A 13 3.664 12.343 9.485 1.00 0.00 N ATOM 139 CZ ARG A 13 3.773 11.320 10.326 1.00 0.00 C ATOM 140 NH1 ARG A 13 4.732 10.420 10.160 1.00 0.00 N ATOM 141 NH2 ARG A 13 2.921 11.197 11.335 1.00 0.00 N ATOM 0 H ARG A 13 3.567 14.179 4.090 1.00 0.00 H new ATOM 0 HA ARG A 13 4.664 11.814 5.475 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.356 13.705 6.028 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.507 12.163 6.847 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.839 14.075 6.860 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.482 14.365 7.930 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.709 11.610 7.827 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.534 12.877 8.713 1.00 0.00 H new ATOM 0 HE ARG A 13 2.915 13.018 9.641 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.389 10.512 9.385 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.813 9.636 10.807 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.182 11.888 11.465 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.005 10.412 11.980 1.00 0.00 H new ATOM 155 N PHE A 14 2.903 10.158 4.749 1.00 0.00 N ATOM 156 CA PHE A 14 2.063 9.154 4.106 1.00 0.00 C ATOM 157 C PHE A 14 0.675 9.121 4.738 1.00 0.00 C ATOM 158 O PHE A 14 0.489 9.553 5.875 1.00 0.00 O ATOM 159 CB PHE A 14 2.715 7.773 4.206 1.00 0.00 C ATOM 160 CG PHE A 14 3.857 7.579 3.251 1.00 0.00 C ATOM 161 CD1 PHE A 14 3.620 7.330 1.908 1.00 0.00 C ATOM 162 CD2 PHE A 14 5.168 7.646 3.695 1.00 0.00 C ATOM 163 CE1 PHE A 14 4.670 7.149 1.027 1.00 0.00 C ATOM 164 CE2 PHE A 14 6.222 7.467 2.818 1.00 0.00 C ATOM 165 CZ PHE A 14 5.972 7.219 1.482 1.00 0.00 C ATOM 0 H PHE A 14 3.509 9.793 5.484 1.00 0.00 H new ATOM 0 HA PHE A 14 1.958 9.423 3.055 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.074 7.622 5.224 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.960 7.009 4.018 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.604 7.277 1.546 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.369 7.840 4.738 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.472 6.953 -0.016 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.239 7.521 3.177 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.793 7.080 0.795 1.00 0.00 H new ATOM 175 N GLU A 15 -0.297 8.605 3.991 1.00 0.00 N ATOM 176 CA GLU A 15 -1.669 8.517 4.477 1.00 0.00 C ATOM 177 C GLU A 15 -1.776 7.515 5.624 1.00 0.00 C ATOM 178 O GLU A 15 -2.466 7.759 6.614 1.00 0.00 O ATOM 179 CB GLU A 15 -2.611 8.112 3.342 1.00 0.00 C ATOM 180 CG GLU A 15 -2.553 9.042 2.142 1.00 0.00 C ATOM 181 CD GLU A 15 -3.864 9.097 1.383 1.00 0.00 C ATOM 182 OE1 GLU A 15 -4.820 9.715 1.896 1.00 0.00 O ATOM 183 OE2 GLU A 15 -3.935 8.522 0.276 1.00 0.00 O ATOM 0 H GLU A 15 -0.159 8.242 3.048 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.960 9.500 4.847 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.364 7.101 3.019 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.633 8.085 3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.289 10.045 2.477 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.761 8.712 1.469 1.00 0.00 H new ATOM 190 N LYS A 16 -1.089 6.387 5.482 1.00 0.00 N ATOM 191 CA LYS A 16 -1.105 5.347 6.504 1.00 0.00 C ATOM 192 C LYS A 16 0.306 5.053 7.002 1.00 0.00 C ATOM 193 O LYS A 16 1.222 4.835 6.209 1.00 0.00 O ATOM 194 CB LYS A 16 -1.739 4.069 5.951 1.00 0.00 C ATOM 195 CG LYS A 16 -3.096 4.293 5.306 1.00 0.00 C ATOM 196 CD LYS A 16 -3.557 3.067 4.536 1.00 0.00 C ATOM 197 CE LYS A 16 -2.973 3.039 3.132 1.00 0.00 C ATOM 198 NZ LYS A 16 -3.772 2.178 2.216 1.00 0.00 N ATOM 0 H LYS A 16 -0.514 6.169 4.668 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.700 5.706 7.343 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.065 3.628 5.216 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.846 3.347 6.760 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.829 4.538 6.075 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.043 5.148 4.632 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.260 2.166 5.073 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.645 3.060 4.479 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.934 4.053 2.735 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.947 2.672 3.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.342 2.185 1.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.789 1.204 2.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.744 2.542 2.157 1.00 0.00 H new ATOM 212 N SER A 17 0.474 5.045 8.321 1.00 0.00 N ATOM 213 CA SER A 17 1.775 4.779 8.925 1.00 0.00 C ATOM 214 C SER A 17 2.338 3.448 8.436 1.00 0.00 C ATOM 215 O SER A 17 3.508 3.355 8.065 1.00 0.00 O ATOM 216 CB SER A 17 1.660 4.769 10.450 1.00 0.00 C ATOM 217 OG SER A 17 1.824 6.071 10.983 1.00 0.00 O ATOM 0 H SER A 17 -0.274 5.220 8.992 1.00 0.00 H new ATOM 0 HA SER A 17 2.458 5.574 8.625 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.687 4.373 10.742 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.414 4.103 10.870 1.00 0.00 H new ATOM 0 HG SER A 17 1.744 6.037 11.959 1.00 0.00 H new ATOM 223 N VAL A 18 1.497 2.420 8.440 1.00 0.00 N ATOM 224 CA VAL A 18 1.909 1.093 7.996 1.00 0.00 C ATOM 225 C VAL A 18 0.958 0.548 6.937 1.00 0.00 C ATOM 226 O VAL A 18 -0.105 0.015 7.256 1.00 0.00 O ATOM 227 CB VAL A 18 1.971 0.102 9.174 1.00 0.00 C ATOM 228 CG1 VAL A 18 2.535 -1.235 8.717 1.00 0.00 C ATOM 229 CG2 VAL A 18 2.799 0.679 10.312 1.00 0.00 C ATOM 0 H VAL A 18 0.526 2.480 8.746 1.00 0.00 H new ATOM 0 HA VAL A 18 2.905 1.198 7.566 1.00 0.00 H new ATOM 0 HB VAL A 18 0.958 -0.064 9.541 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.571 -1.922 9.562 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.897 -1.652 7.938 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.541 -1.090 8.323 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.832 -0.034 11.136 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.812 0.876 9.961 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.347 1.609 10.656 1.00 0.00 H new ATOM 239 N TYR A 19 1.348 0.684 5.674 1.00 0.00 N ATOM 240 CA TYR A 19 0.529 0.207 4.566 1.00 0.00 C ATOM 241 C TYR A 19 0.387 -1.312 4.608 1.00 0.00 C ATOM 242 O TYR A 19 1.289 -2.041 4.198 1.00 0.00 O ATOM 243 CB TYR A 19 1.140 0.636 3.231 1.00 0.00 C ATOM 244 CG TYR A 19 0.788 2.051 2.830 1.00 0.00 C ATOM 245 CD1 TYR A 19 1.038 3.118 3.684 1.00 0.00 C ATOM 246 CD2 TYR A 19 0.205 2.320 1.598 1.00 0.00 C ATOM 247 CE1 TYR A 19 0.717 4.412 3.322 1.00 0.00 C ATOM 248 CE2 TYR A 19 -0.119 3.611 1.228 1.00 0.00 C ATOM 249 CZ TYR A 19 0.139 4.653 2.093 1.00 0.00 C ATOM 250 OH TYR A 19 -0.182 5.941 1.729 1.00 0.00 O ATOM 0 H TYR A 19 2.226 1.120 5.392 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.462 0.650 4.663 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.224 0.544 3.291 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.805 -0.048 2.451 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.491 2.933 4.647 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.002 1.506 0.918 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.918 5.230 3.998 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.572 3.803 0.266 1.00 0.00 H new ATOM 0 HH TYR A 19 0.440 6.566 2.157 1.00 0.00 H new ATOM 260 N GLU A 20 -0.753 -1.779 5.107 1.00 0.00 N ATOM 261 CA GLU A 20 -1.014 -3.211 5.203 1.00 0.00 C ATOM 262 C GLU A 20 -1.990 -3.660 4.121 1.00 0.00 C ATOM 263 O GLU A 20 -3.173 -3.322 4.158 1.00 0.00 O ATOM 264 CB GLU A 20 -1.572 -3.558 6.585 1.00 0.00 C ATOM 265 CG GLU A 20 -1.368 -5.012 6.976 1.00 0.00 C ATOM 266 CD GLU A 20 -1.649 -5.267 8.444 1.00 0.00 C ATOM 267 OE1 GLU A 20 -1.618 -4.297 9.230 1.00 0.00 O ATOM 268 OE2 GLU A 20 -1.900 -6.435 8.807 1.00 0.00 O ATOM 0 H GLU A 20 -1.510 -1.188 5.451 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.071 -3.737 5.057 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.097 -2.920 7.330 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.638 -3.331 6.605 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.020 -5.642 6.371 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.343 -5.304 6.750 1.00 0.00 H new ATOM 275 N ALA A 21 -1.486 -4.423 3.157 1.00 0.00 N ATOM 276 CA ALA A 21 -2.313 -4.920 2.064 1.00 0.00 C ATOM 277 C ALA A 21 -2.100 -6.415 1.850 1.00 0.00 C ATOM 278 O ALA A 21 -1.014 -6.939 2.098 1.00 0.00 O ATOM 279 CB ALA A 21 -2.012 -4.154 0.784 1.00 0.00 C ATOM 0 H ALA A 21 -0.509 -4.711 3.111 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.358 -4.763 2.332 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.637 -4.536 -0.024 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.222 -3.095 0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.962 -4.282 0.522 1.00 0.00 H new ATOM 285 N ASP A 22 -3.144 -7.096 1.391 1.00 0.00 N ATOM 286 CA ASP A 22 -3.071 -8.532 1.144 1.00 0.00 C ATOM 287 C ASP A 22 -2.557 -8.815 -0.265 1.00 0.00 C ATOM 288 O ASP A 22 -3.160 -8.395 -1.253 1.00 0.00 O ATOM 289 CB ASP A 22 -4.445 -9.175 1.338 1.00 0.00 C ATOM 290 CG ASP A 22 -5.331 -9.027 0.117 1.00 0.00 C ATOM 291 OD1 ASP A 22 -5.712 -7.882 -0.206 1.00 0.00 O ATOM 292 OD2 ASP A 22 -5.643 -10.057 -0.517 1.00 0.00 O ATOM 0 H ASP A 22 -4.051 -6.678 1.182 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.372 -8.964 1.860 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.319 -10.233 1.565 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.937 -8.721 2.198 1.00 0.00 H new ATOM 297 N LEU A 23 -1.441 -9.530 -0.349 1.00 0.00 N ATOM 298 CA LEU A 23 -0.845 -9.869 -1.636 1.00 0.00 C ATOM 299 C LEU A 23 -0.973 -11.362 -1.919 1.00 0.00 C ATOM 300 O LEU A 23 -0.490 -12.193 -1.151 1.00 0.00 O ATOM 301 CB LEU A 23 0.629 -9.458 -1.663 1.00 0.00 C ATOM 302 CG LEU A 23 1.278 -9.377 -3.045 1.00 0.00 C ATOM 303 CD1 LEU A 23 1.601 -10.770 -3.565 1.00 0.00 C ATOM 304 CD2 LEU A 23 0.371 -8.639 -4.018 1.00 0.00 C ATOM 0 H LEU A 23 -0.930 -9.886 0.459 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.382 -9.323 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.723 -8.484 -1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.194 -10.168 -1.059 1.00 0.00 H new ATOM 0 HG LEU A 23 2.210 -8.820 -2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.062 -10.693 -4.550 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.290 -11.264 -2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.683 -11.353 -3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.849 -8.591 -4.996 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.578 -9.168 -4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.191 -7.628 -3.652 1.00 0.00 H new ATOM 316 N ALA A 24 -1.626 -11.695 -3.028 1.00 0.00 N ATOM 317 CA ALA A 24 -1.814 -13.088 -3.415 1.00 0.00 C ATOM 318 C ALA A 24 -0.496 -13.720 -3.847 1.00 0.00 C ATOM 319 O ALA A 24 0.068 -13.357 -4.878 1.00 0.00 O ATOM 320 CB ALA A 24 -2.843 -13.191 -4.532 1.00 0.00 C ATOM 0 H ALA A 24 -2.034 -11.019 -3.674 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.181 -13.635 -2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.974 -14.237 -4.811 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.795 -12.786 -4.188 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.499 -12.625 -5.397 1.00 0.00 H new ATOM 326 N GLU A 25 -0.011 -14.668 -3.051 1.00 0.00 N ATOM 327 CA GLU A 25 1.243 -15.350 -3.352 1.00 0.00 C ATOM 328 C GLU A 25 1.361 -15.636 -4.846 1.00 0.00 C ATOM 329 O GLU A 25 2.450 -15.573 -5.416 1.00 0.00 O ATOM 330 CB GLU A 25 1.341 -16.657 -2.562 1.00 0.00 C ATOM 331 CG GLU A 25 0.329 -17.705 -2.992 1.00 0.00 C ATOM 332 CD GLU A 25 0.843 -18.587 -4.113 1.00 0.00 C ATOM 333 OE1 GLU A 25 1.770 -18.154 -4.830 1.00 0.00 O ATOM 334 OE2 GLU A 25 0.318 -19.708 -4.275 1.00 0.00 O ATOM 0 H GLU A 25 -0.467 -14.981 -2.194 1.00 0.00 H new ATOM 0 HA GLU A 25 2.063 -14.695 -3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.345 -17.066 -2.675 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.202 -16.443 -1.502 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.069 -18.327 -2.135 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.586 -17.210 -3.315 1.00 0.00 H new ATOM 341 N ASN A 26 0.233 -15.951 -5.474 1.00 0.00 N ATOM 342 CA ASN A 26 0.210 -16.249 -6.901 1.00 0.00 C ATOM 343 C ASN A 26 0.092 -14.968 -7.722 1.00 0.00 C ATOM 344 O ASN A 26 -0.580 -14.938 -8.753 1.00 0.00 O ATOM 345 CB ASN A 26 -0.954 -17.186 -7.229 1.00 0.00 C ATOM 346 CG ASN A 26 -0.616 -18.641 -6.967 1.00 0.00 C ATOM 347 OD1 ASN A 26 -1.336 -19.338 -6.252 1.00 0.00 O ATOM 348 ND2 ASN A 26 0.484 -19.106 -7.547 1.00 0.00 N ATOM 0 H ASN A 26 -0.677 -16.006 -5.017 1.00 0.00 H new ATOM 0 HA ASN A 26 1.148 -16.741 -7.159 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.822 -16.905 -6.633 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.232 -17.063 -8.276 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.762 -20.077 -7.408 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.051 -18.492 -8.132 1.00 0.00 H new ATOM 355 N SER A 27 0.752 -13.911 -7.257 1.00 0.00 N ATOM 356 CA SER A 27 0.719 -12.626 -7.946 1.00 0.00 C ATOM 357 C SER A 27 1.774 -12.573 -9.046 1.00 0.00 C ATOM 358 O SER A 27 2.960 -12.784 -8.795 1.00 0.00 O ATOM 359 CB SER A 27 0.944 -11.485 -6.952 1.00 0.00 C ATOM 360 OG SER A 27 -0.274 -11.087 -6.348 1.00 0.00 O ATOM 0 H SER A 27 1.315 -13.920 -6.407 1.00 0.00 H new ATOM 0 HA SER A 27 -0.264 -12.511 -8.403 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.648 -11.802 -6.183 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.394 -10.635 -7.465 1.00 0.00 H new ATOM 0 HG SER A 27 -0.529 -11.741 -5.664 1.00 0.00 H new ATOM 366 N ALA A 28 1.333 -12.289 -10.267 1.00 0.00 N ATOM 367 CA ALA A 28 2.238 -12.206 -11.407 1.00 0.00 C ATOM 368 C ALA A 28 3.326 -11.164 -11.169 1.00 0.00 C ATOM 369 O ALA A 28 3.262 -10.368 -10.231 1.00 0.00 O ATOM 370 CB ALA A 28 1.462 -11.882 -12.675 1.00 0.00 C ATOM 0 H ALA A 28 0.354 -12.112 -10.492 1.00 0.00 H new ATOM 0 HA ALA A 28 2.720 -13.176 -11.528 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.151 -11.823 -13.518 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.726 -12.664 -12.861 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.952 -10.926 -12.555 1.00 0.00 H new ATOM 376 N PRO A 29 4.349 -11.166 -12.036 1.00 0.00 N ATOM 377 CA PRO A 29 5.470 -10.227 -11.940 1.00 0.00 C ATOM 378 C PRO A 29 5.059 -8.797 -12.278 1.00 0.00 C ATOM 379 O PRO A 29 5.894 -7.895 -12.322 1.00 0.00 O ATOM 380 CB PRO A 29 6.465 -10.756 -12.976 1.00 0.00 C ATOM 381 CG PRO A 29 5.629 -11.496 -13.962 1.00 0.00 C ATOM 382 CD PRO A 29 4.489 -12.086 -13.177 1.00 0.00 C ATOM 0 HA PRO A 29 5.873 -10.175 -10.929 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.011 -9.942 -13.452 1.00 0.00 H new ATOM 0 HB3 PRO A 29 7.206 -11.410 -12.516 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.262 -10.828 -14.742 1.00 0.00 H new ATOM 0 HG3 PRO A 29 6.207 -12.276 -14.457 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.575 -12.134 -13.769 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.710 -13.102 -12.849 1.00 0.00 H new ATOM 390 N GLY A 30 3.766 -8.598 -12.515 1.00 0.00 N ATOM 391 CA GLY A 30 3.267 -7.276 -12.845 1.00 0.00 C ATOM 392 C GLY A 30 1.877 -7.026 -12.294 1.00 0.00 C ATOM 393 O GLY A 30 1.046 -6.396 -12.947 1.00 0.00 O ATOM 0 H GLY A 30 3.055 -9.329 -12.484 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.951 -6.524 -12.451 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.252 -7.157 -13.928 1.00 0.00 H new ATOM 397 N THR A 31 1.622 -7.524 -11.088 1.00 0.00 N ATOM 398 CA THR A 31 0.322 -7.354 -10.450 1.00 0.00 C ATOM 399 C THR A 31 0.310 -6.129 -9.544 1.00 0.00 C ATOM 400 O THR A 31 1.228 -5.902 -8.754 1.00 0.00 O ATOM 401 CB THR A 31 -0.064 -8.595 -9.623 1.00 0.00 C ATOM 402 OG1 THR A 31 -0.049 -9.761 -10.453 1.00 0.00 O ATOM 403 CG2 THR A 31 -1.443 -8.424 -9.003 1.00 0.00 C ATOM 0 H THR A 31 2.299 -8.048 -10.533 1.00 0.00 H new ATOM 0 HA THR A 31 -0.407 -7.218 -11.249 1.00 0.00 H new ATOM 0 HB THR A 31 0.665 -8.712 -8.821 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.705 -10.408 -10.120 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.694 -9.313 -8.424 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.442 -7.552 -8.348 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.182 -8.284 -9.792 1.00 0.00 H new ATOM 411 N PRO A 32 -0.752 -5.319 -9.657 1.00 0.00 N ATOM 412 CA PRO A 32 -0.910 -4.102 -8.853 1.00 0.00 C ATOM 413 C PRO A 32 -1.176 -4.409 -7.384 1.00 0.00 C ATOM 414 O PRO A 32 -2.014 -5.251 -7.058 1.00 0.00 O ATOM 415 CB PRO A 32 -2.123 -3.415 -9.485 1.00 0.00 C ATOM 416 CG PRO A 32 -2.899 -4.519 -10.116 1.00 0.00 C ATOM 417 CD PRO A 32 -1.883 -5.528 -10.577 1.00 0.00 C ATOM 0 HA PRO A 32 -0.008 -3.491 -8.856 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.717 -2.892 -8.735 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -1.818 -2.674 -10.223 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.595 -4.963 -9.404 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.491 -4.151 -10.954 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.270 -6.545 -10.514 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.593 -5.361 -11.614 1.00 0.00 H new ATOM 425 N ILE A 33 -0.460 -3.721 -6.501 1.00 0.00 N ATOM 426 CA ILE A 33 -0.621 -3.919 -5.066 1.00 0.00 C ATOM 427 C ILE A 33 -1.404 -2.772 -4.437 1.00 0.00 C ATOM 428 O ILE A 33 -2.506 -2.967 -3.921 1.00 0.00 O ATOM 429 CB ILE A 33 0.741 -4.045 -4.359 1.00 0.00 C ATOM 430 CG1 ILE A 33 1.576 -5.153 -5.005 1.00 0.00 C ATOM 431 CG2 ILE A 33 0.544 -4.320 -2.875 1.00 0.00 C ATOM 432 CD1 ILE A 33 3.051 -5.063 -4.683 1.00 0.00 C ATOM 0 H ILE A 33 0.238 -3.021 -6.754 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.176 -4.848 -4.936 1.00 0.00 H new ATOM 0 HB ILE A 33 1.278 -3.102 -4.466 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.199 -6.121 -4.675 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.445 -5.112 -6.086 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.516 -4.407 -2.389 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.016 -3.500 -2.424 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.009 -5.250 -2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.581 -5.879 -5.174 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.443 -4.110 -5.038 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.193 -5.135 -3.605 1.00 0.00 H new ATOM 444 N LEU A 34 -0.830 -1.575 -4.485 1.00 0.00 N ATOM 445 CA LEU A 34 -1.475 -0.394 -3.921 1.00 0.00 C ATOM 446 C LEU A 34 -0.833 0.883 -4.454 1.00 0.00 C ATOM 447 O LEU A 34 0.132 0.832 -5.216 1.00 0.00 O ATOM 448 CB LEU A 34 -1.390 -0.422 -2.394 1.00 0.00 C ATOM 449 CG LEU A 34 0.001 -0.655 -1.803 1.00 0.00 C ATOM 450 CD1 LEU A 34 0.796 0.641 -1.781 1.00 0.00 C ATOM 451 CD2 LEU A 34 -0.105 -1.242 -0.403 1.00 0.00 C ATOM 0 H LEU A 34 0.081 -1.396 -4.908 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.523 -0.405 -4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.771 0.525 -2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.054 -1.205 -2.027 1.00 0.00 H new ATOM 0 HG LEU A 34 0.528 -1.369 -2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.783 0.455 -1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.903 1.020 -2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.273 1.379 -1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.895 -1.401 0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.651 -0.552 0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.634 -2.194 -0.447 1.00 0.00 H new ATOM 463 N GLN A 35 -1.376 2.026 -4.046 1.00 0.00 N ATOM 464 CA GLN A 35 -0.855 3.316 -4.482 1.00 0.00 C ATOM 465 C GLN A 35 -0.554 4.214 -3.287 1.00 0.00 C ATOM 466 O GLN A 35 -1.460 4.614 -2.554 1.00 0.00 O ATOM 467 CB GLN A 35 -1.853 4.005 -5.414 1.00 0.00 C ATOM 468 CG GLN A 35 -1.347 5.321 -5.982 1.00 0.00 C ATOM 469 CD GLN A 35 -2.415 6.072 -6.753 1.00 0.00 C ATOM 470 OE1 GLN A 35 -3.564 5.637 -6.831 1.00 0.00 O ATOM 471 NE2 GLN A 35 -2.040 7.209 -7.329 1.00 0.00 N ATOM 0 H GLN A 35 -2.175 2.085 -3.415 1.00 0.00 H new ATOM 0 HA GLN A 35 0.074 3.139 -5.023 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.093 3.332 -6.237 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.780 4.186 -4.870 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.983 5.948 -5.168 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.499 5.127 -6.639 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.077 7.533 -7.239 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.715 7.758 -7.861 1.00 0.00 H new ATOM 480 N LEU A 36 0.723 4.527 -3.095 1.00 0.00 N ATOM 481 CA LEU A 36 1.143 5.378 -1.987 1.00 0.00 C ATOM 482 C LEU A 36 0.816 6.841 -2.269 1.00 0.00 C ATOM 483 O LEU A 36 0.978 7.318 -3.392 1.00 0.00 O ATOM 484 CB LEU A 36 2.644 5.218 -1.737 1.00 0.00 C ATOM 485 CG LEU A 36 3.099 3.846 -1.239 1.00 0.00 C ATOM 486 CD1 LEU A 36 3.479 2.953 -2.410 1.00 0.00 C ATOM 487 CD2 LEU A 36 4.267 3.989 -0.274 1.00 0.00 C ATOM 0 H LEU A 36 1.485 4.205 -3.692 1.00 0.00 H new ATOM 0 HA LEU A 36 0.597 5.069 -1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.172 5.439 -2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.953 5.967 -1.008 1.00 0.00 H new ATOM 0 HG LEU A 36 2.269 3.380 -0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.800 1.981 -2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.617 2.824 -3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.293 3.414 -2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.577 3.002 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.100 4.475 -0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.961 4.592 0.581 1.00 0.00 H new ATOM 499 N ARG A 37 0.357 7.548 -1.242 1.00 0.00 N ATOM 500 CA ARG A 37 0.008 8.957 -1.379 1.00 0.00 C ATOM 501 C ARG A 37 0.690 9.794 -0.301 1.00 0.00 C ATOM 502 O ARG A 37 1.106 9.272 0.733 1.00 0.00 O ATOM 503 CB ARG A 37 -1.509 9.139 -1.297 1.00 0.00 C ATOM 504 CG ARG A 37 -2.225 8.873 -2.611 1.00 0.00 C ATOM 505 CD ARG A 37 -3.688 9.285 -2.541 1.00 0.00 C ATOM 506 NE ARG A 37 -4.205 9.690 -3.845 1.00 0.00 N ATOM 507 CZ ARG A 37 -5.498 9.708 -4.149 1.00 0.00 C ATOM 508 NH1 ARG A 37 -6.400 9.347 -3.247 1.00 0.00 N ATOM 509 NH2 ARG A 37 -5.892 10.089 -5.358 1.00 0.00 N ATOM 0 H ARG A 37 0.218 7.168 -0.306 1.00 0.00 H new ATOM 0 HA ARG A 37 0.356 9.298 -2.354 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.906 8.469 -0.534 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.728 10.157 -0.973 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.730 9.419 -3.414 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.155 7.813 -2.857 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.281 8.454 -2.158 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.800 10.108 -1.835 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.537 9.975 -4.561 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.102 9.054 -2.316 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.392 9.362 -3.484 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.202 10.368 -6.055 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.885 10.102 -5.590 1.00 0.00 H new ATOM 523 N ALA A 38 0.802 11.094 -0.550 1.00 0.00 N ATOM 524 CA ALA A 38 1.432 12.003 0.399 1.00 0.00 C ATOM 525 C ALA A 38 0.567 13.236 0.636 1.00 0.00 C ATOM 526 O ALA A 38 1.070 14.359 0.684 1.00 0.00 O ATOM 527 CB ALA A 38 2.812 12.411 -0.096 1.00 0.00 C ATOM 0 H ALA A 38 0.464 11.542 -1.402 1.00 0.00 H new ATOM 0 HA ALA A 38 1.539 11.479 1.349 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.270 13.090 0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.436 11.524 -0.206 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.720 12.912 -1.060 1.00 0.00 H new ATOM 533 N ALA A 39 -0.736 13.020 0.782 1.00 0.00 N ATOM 534 CA ALA A 39 -1.671 14.114 1.014 1.00 0.00 C ATOM 535 C ALA A 39 -1.034 15.208 1.865 1.00 0.00 C ATOM 536 O ALA A 39 -0.223 14.928 2.747 1.00 0.00 O ATOM 537 CB ALA A 39 -2.936 13.595 1.680 1.00 0.00 C ATOM 0 H ALA A 39 -1.168 12.097 0.744 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.933 14.546 0.048 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.625 14.423 1.847 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.409 12.854 1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.682 13.136 2.635 1.00 0.00 H new ATOM 543 N ASP A 40 -1.407 16.454 1.594 1.00 0.00 N ATOM 544 CA ASP A 40 -0.873 17.591 2.335 1.00 0.00 C ATOM 545 C ASP A 40 -1.932 18.183 3.259 1.00 0.00 C ATOM 546 O ASP A 40 -1.644 19.073 4.060 1.00 0.00 O ATOM 547 CB ASP A 40 -0.363 18.662 1.369 1.00 0.00 C ATOM 548 CG ASP A 40 1.061 18.406 0.919 1.00 0.00 C ATOM 549 OD1 ASP A 40 1.349 17.273 0.479 1.00 0.00 O ATOM 550 OD2 ASP A 40 1.889 19.338 1.007 1.00 0.00 O ATOM 0 H ASP A 40 -2.077 16.702 0.866 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.042 17.238 2.945 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.015 18.700 0.496 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.418 19.638 1.851 1.00 0.00 H new ATOM 555 N LEU A 41 -3.157 17.684 3.142 1.00 0.00 N ATOM 556 CA LEU A 41 -4.261 18.165 3.967 1.00 0.00 C ATOM 557 C LEU A 41 -4.446 19.670 3.805 1.00 0.00 C ATOM 558 O LEU A 41 -4.970 20.340 4.695 1.00 0.00 O ATOM 559 CB LEU A 41 -4.010 17.826 5.437 1.00 0.00 C ATOM 560 CG LEU A 41 -4.110 16.347 5.811 1.00 0.00 C ATOM 561 CD1 LEU A 41 -3.377 16.075 7.116 1.00 0.00 C ATOM 562 CD2 LEU A 41 -5.568 15.921 5.918 1.00 0.00 C ATOM 0 H LEU A 41 -3.412 16.947 2.485 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.173 17.668 3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.016 18.182 5.707 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.723 18.383 6.045 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.637 15.761 5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.459 15.017 7.366 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.326 16.341 7.005 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.820 16.672 7.913 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.620 14.865 6.185 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.065 16.514 6.686 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.064 16.078 4.960 1.00 0.00 H new ATOM 574 N ASP A 42 -4.016 20.194 2.663 1.00 0.00 N ATOM 575 CA ASP A 42 -4.137 21.620 2.382 1.00 0.00 C ATOM 576 C ASP A 42 -5.056 21.863 1.189 1.00 0.00 C ATOM 577 O ASP A 42 -5.051 22.942 0.597 1.00 0.00 O ATOM 578 CB ASP A 42 -2.760 22.228 2.113 1.00 0.00 C ATOM 579 CG ASP A 42 -2.736 23.728 2.332 1.00 0.00 C ATOM 580 OD1 ASP A 42 -3.812 24.357 2.252 1.00 0.00 O ATOM 581 OD2 ASP A 42 -1.641 24.273 2.585 1.00 0.00 O ATOM 0 H ASP A 42 -3.580 19.653 1.916 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.573 22.101 3.257 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.024 21.757 2.765 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.463 22.009 1.087 1.00 0.00 H new ATOM 586 N VAL A 43 -5.844 20.851 0.840 1.00 0.00 N ATOM 587 CA VAL A 43 -6.769 20.954 -0.283 1.00 0.00 C ATOM 588 C VAL A 43 -6.094 21.589 -1.494 1.00 0.00 C ATOM 589 O VAL A 43 -6.667 22.457 -2.152 1.00 0.00 O ATOM 590 CB VAL A 43 -8.014 21.779 0.090 1.00 0.00 C ATOM 591 CG1 VAL A 43 -9.008 21.797 -1.062 1.00 0.00 C ATOM 592 CG2 VAL A 43 -8.659 21.229 1.353 1.00 0.00 C ATOM 0 H VAL A 43 -5.860 19.950 1.319 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.078 19.939 -0.534 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.703 22.805 0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.881 22.385 -0.780 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.539 22.242 -1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.316 20.777 -1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.538 21.824 1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.957 20.194 1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.945 21.274 2.175 1.00 0.00 H new ATOM 602 N GLY A 44 -4.873 21.150 -1.783 1.00 0.00 N ATOM 603 CA GLY A 44 -4.140 21.687 -2.915 1.00 0.00 C ATOM 604 C GLY A 44 -3.182 20.678 -3.516 1.00 0.00 C ATOM 605 O GLY A 44 -3.473 20.074 -4.549 1.00 0.00 O ATOM 0 H GLY A 44 -4.378 20.432 -1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.846 22.013 -3.679 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.583 22.569 -2.598 1.00 0.00 H new ATOM 609 N VAL A 45 -2.035 20.495 -2.870 1.00 0.00 N ATOM 610 CA VAL A 45 -1.030 19.553 -3.348 1.00 0.00 C ATOM 611 C VAL A 45 -1.662 18.214 -3.713 1.00 0.00 C ATOM 612 O VAL A 45 -2.264 17.550 -2.871 1.00 0.00 O ATOM 613 CB VAL A 45 0.067 19.319 -2.292 1.00 0.00 C ATOM 614 CG1 VAL A 45 1.117 18.353 -2.819 1.00 0.00 C ATOM 615 CG2 VAL A 45 0.702 20.639 -1.883 1.00 0.00 C ATOM 0 H VAL A 45 -1.779 20.987 -2.014 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.580 19.994 -4.237 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.391 18.874 -1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.884 18.200 -2.060 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.647 17.399 -3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.574 18.767 -3.718 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.475 20.455 -1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.147 21.115 -2.757 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.060 21.295 -1.462 1.00 0.00 H new ATOM 625 N ASN A 46 -1.520 17.825 -4.976 1.00 0.00 N ATOM 626 CA ASN A 46 -2.078 16.564 -5.454 1.00 0.00 C ATOM 627 C ASN A 46 -1.299 15.378 -4.894 1.00 0.00 C ATOM 628 O ASN A 46 -1.879 14.351 -4.544 1.00 0.00 O ATOM 629 CB ASN A 46 -2.061 16.523 -6.984 1.00 0.00 C ATOM 630 CG ASN A 46 -0.665 16.323 -7.542 1.00 0.00 C ATOM 631 OD1 ASN A 46 0.223 17.149 -7.332 1.00 0.00 O ATOM 632 ND2 ASN A 46 -0.466 15.222 -8.257 1.00 0.00 N ATOM 0 H ASN A 46 -1.024 18.364 -5.686 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.109 16.496 -5.106 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -2.707 15.716 -7.330 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.475 17.453 -7.374 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.453 15.033 -8.658 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -1.232 14.565 -8.405 1.00 0.00 H new ATOM 639 N GLY A 47 0.020 15.528 -4.812 1.00 0.00 N ATOM 640 CA GLY A 47 0.857 14.462 -4.293 1.00 0.00 C ATOM 641 C GLY A 47 2.078 14.212 -5.156 1.00 0.00 C ATOM 642 O GLY A 47 2.258 13.114 -5.682 1.00 0.00 O ATOM 0 H GLY A 47 0.523 16.369 -5.096 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.176 14.714 -3.282 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.271 13.545 -4.223 1.00 0.00 H new ATOM 646 N GLN A 48 2.917 15.232 -5.302 1.00 0.00 N ATOM 647 CA GLN A 48 4.125 15.117 -6.109 1.00 0.00 C ATOM 648 C GLN A 48 5.324 14.739 -5.244 1.00 0.00 C ATOM 649 O GLN A 48 6.202 15.564 -4.989 1.00 0.00 O ATOM 650 CB GLN A 48 4.403 16.432 -6.839 1.00 0.00 C ATOM 651 CG GLN A 48 3.460 16.693 -8.003 1.00 0.00 C ATOM 652 CD GLN A 48 4.002 17.723 -8.974 1.00 0.00 C ATOM 653 OE1 GLN A 48 4.208 18.883 -8.616 1.00 0.00 O ATOM 654 NE2 GLN A 48 4.238 17.304 -10.212 1.00 0.00 N ATOM 0 H GLN A 48 2.782 16.147 -4.872 1.00 0.00 H new ATOM 0 HA GLN A 48 3.967 14.328 -6.844 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.327 17.255 -6.129 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.429 16.423 -7.208 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.278 15.759 -8.534 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.499 17.033 -7.618 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.053 16.334 -10.466 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.604 17.953 -10.909 1.00 0.00 H new ATOM 663 N ILE A 49 5.352 13.489 -4.796 1.00 0.00 N ATOM 664 CA ILE A 49 6.443 13.002 -3.961 1.00 0.00 C ATOM 665 C ILE A 49 7.104 11.775 -4.579 1.00 0.00 C ATOM 666 O ILE A 49 6.425 10.874 -5.069 1.00 0.00 O ATOM 667 CB ILE A 49 5.953 12.648 -2.544 1.00 0.00 C ATOM 668 CG1 ILE A 49 5.341 13.878 -1.871 1.00 0.00 C ATOM 669 CG2 ILE A 49 7.099 12.096 -1.710 1.00 0.00 C ATOM 670 CD1 ILE A 49 6.252 15.086 -1.875 1.00 0.00 C ATOM 0 H ILE A 49 4.632 12.795 -4.997 1.00 0.00 H new ATOM 0 HA ILE A 49 7.172 13.809 -3.894 1.00 0.00 H new ATOM 0 HB ILE A 49 5.184 11.880 -2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.410 14.134 -2.377 1.00 0.00 H new ATOM 0 HG13 ILE A 49 5.086 13.629 -0.841 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.737 11.851 -0.712 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.494 11.197 -2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.888 12.844 -1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.753 15.920 -1.382 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.173 14.849 -1.343 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.487 15.361 -2.903 1.00 0.00 H new ATOM 682 N GLU A 50 8.433 11.747 -4.551 1.00 0.00 N ATOM 683 CA GLU A 50 9.185 10.630 -5.108 1.00 0.00 C ATOM 684 C GLU A 50 9.253 9.471 -4.117 1.00 0.00 C ATOM 685 O GLU A 50 10.030 9.502 -3.162 1.00 0.00 O ATOM 686 CB GLU A 50 10.599 11.076 -5.486 1.00 0.00 C ATOM 687 CG GLU A 50 11.574 9.923 -5.661 1.00 0.00 C ATOM 688 CD GLU A 50 13.017 10.385 -5.728 1.00 0.00 C ATOM 689 OE1 GLU A 50 13.258 11.513 -6.208 1.00 0.00 O ATOM 690 OE2 GLU A 50 13.905 9.619 -5.299 1.00 0.00 O ATOM 0 H GLU A 50 9.010 12.485 -4.148 1.00 0.00 H new ATOM 0 HA GLU A 50 8.668 10.289 -6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.555 11.648 -6.413 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.978 11.747 -4.715 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.458 9.225 -4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.328 9.379 -6.573 1.00 0.00 H new ATOM 697 N TYR A 51 8.435 8.452 -4.350 1.00 0.00 N ATOM 698 CA TYR A 51 8.399 7.285 -3.477 1.00 0.00 C ATOM 699 C TYR A 51 9.430 6.247 -3.911 1.00 0.00 C ATOM 700 O TYR A 51 9.297 5.627 -4.966 1.00 0.00 O ATOM 701 CB TYR A 51 7.002 6.663 -3.479 1.00 0.00 C ATOM 702 CG TYR A 51 5.885 7.683 -3.489 1.00 0.00 C ATOM 703 CD1 TYR A 51 5.394 8.217 -2.305 1.00 0.00 C ATOM 704 CD2 TYR A 51 5.322 8.112 -4.685 1.00 0.00 C ATOM 705 CE1 TYR A 51 4.374 9.148 -2.310 1.00 0.00 C ATOM 706 CE2 TYR A 51 4.302 9.044 -4.700 1.00 0.00 C ATOM 707 CZ TYR A 51 3.831 9.559 -3.510 1.00 0.00 C ATOM 708 OH TYR A 51 2.816 10.487 -3.520 1.00 0.00 O ATOM 0 H TYR A 51 7.787 8.410 -5.137 1.00 0.00 H new ATOM 0 HA TYR A 51 8.643 7.612 -2.466 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.902 6.018 -4.352 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.895 6.028 -2.600 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.817 7.899 -1.364 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.688 7.710 -5.618 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.003 9.552 -1.380 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.876 9.368 -5.638 1.00 0.00 H new ATOM 0 HH TYR A 51 2.547 10.668 -4.445 1.00 0.00 H new ATOM 718 N VAL A 52 10.459 6.064 -3.089 1.00 0.00 N ATOM 719 CA VAL A 52 11.512 5.101 -3.386 1.00 0.00 C ATOM 720 C VAL A 52 11.590 4.023 -2.311 1.00 0.00 C ATOM 721 O VAL A 52 10.823 4.035 -1.348 1.00 0.00 O ATOM 722 CB VAL A 52 12.885 5.790 -3.506 1.00 0.00 C ATOM 723 CG1 VAL A 52 12.887 6.778 -4.663 1.00 0.00 C ATOM 724 CG2 VAL A 52 13.248 6.484 -2.201 1.00 0.00 C ATOM 0 H VAL A 52 10.585 6.570 -2.213 1.00 0.00 H new ATOM 0 HA VAL A 52 11.259 4.641 -4.341 1.00 0.00 H new ATOM 0 HB VAL A 52 13.638 5.029 -3.708 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.865 7.255 -4.732 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.674 6.250 -5.593 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.124 7.538 -4.494 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.221 6.965 -2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.494 7.235 -1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.290 5.749 -1.397 1.00 0.00 H new ATOM 734 N PHE A 53 12.520 3.090 -2.483 1.00 0.00 N ATOM 735 CA PHE A 53 12.698 2.003 -1.528 1.00 0.00 C ATOM 736 C PHE A 53 13.607 2.431 -0.379 1.00 0.00 C ATOM 737 O PHE A 53 14.812 2.601 -0.557 1.00 0.00 O ATOM 738 CB PHE A 53 13.284 0.773 -2.226 1.00 0.00 C ATOM 739 CG PHE A 53 12.241 -0.158 -2.774 1.00 0.00 C ATOM 740 CD1 PHE A 53 11.385 -0.840 -1.924 1.00 0.00 C ATOM 741 CD2 PHE A 53 12.117 -0.352 -4.141 1.00 0.00 C ATOM 742 CE1 PHE A 53 10.424 -1.697 -2.426 1.00 0.00 C ATOM 743 CE2 PHE A 53 11.158 -1.208 -4.649 1.00 0.00 C ATOM 744 CZ PHE A 53 10.311 -1.882 -3.790 1.00 0.00 C ATOM 0 H PHE A 53 13.162 3.065 -3.275 1.00 0.00 H new ATOM 0 HA PHE A 53 11.720 1.749 -1.119 1.00 0.00 H new ATOM 0 HB2 PHE A 53 13.931 1.101 -3.040 1.00 0.00 H new ATOM 0 HB3 PHE A 53 13.911 0.228 -1.520 1.00 0.00 H new ATOM 0 HD1 PHE A 53 11.470 -0.700 -0.856 1.00 0.00 H new ATOM 0 HD2 PHE A 53 12.777 0.172 -4.817 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.762 -2.221 -1.753 1.00 0.00 H new ATOM 0 HE2 PHE A 53 11.071 -1.350 -5.716 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.562 -2.552 -4.185 1.00 0.00 H new ATOM 754 N GLY A 54 13.019 2.603 0.801 1.00 0.00 N ATOM 755 CA GLY A 54 13.789 3.011 1.961 1.00 0.00 C ATOM 756 C GLY A 54 14.515 1.850 2.612 1.00 0.00 C ATOM 757 O GLY A 54 15.486 1.330 2.063 1.00 0.00 O ATOM 0 H GLY A 54 12.023 2.467 0.974 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.514 3.768 1.664 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.124 3.475 2.690 1.00 0.00 H new ATOM 761 N ALA A 55 14.044 1.443 3.786 1.00 0.00 N ATOM 762 CA ALA A 55 14.654 0.337 4.512 1.00 0.00 C ATOM 763 C ALA A 55 14.076 -1.001 4.062 1.00 0.00 C ATOM 764 O ALA A 55 13.257 -1.600 4.758 1.00 0.00 O ATOM 765 CB ALA A 55 14.462 0.519 6.011 1.00 0.00 C ATOM 0 H ALA A 55 13.241 1.863 4.255 1.00 0.00 H new ATOM 0 HA ALA A 55 15.721 0.335 4.291 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.923 -0.315 6.541 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.929 1.452 6.327 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.397 0.550 6.240 1.00 0.00 H new ATOM 771 N ALA A 56 14.509 -1.463 2.893 1.00 0.00 N ATOM 772 CA ALA A 56 14.035 -2.730 2.351 1.00 0.00 C ATOM 773 C ALA A 56 15.202 -3.618 1.930 1.00 0.00 C ATOM 774 O ALA A 56 16.276 -3.126 1.583 1.00 0.00 O ATOM 775 CB ALA A 56 13.105 -2.485 1.172 1.00 0.00 C ATOM 0 H ALA A 56 15.187 -0.979 2.304 1.00 0.00 H new ATOM 0 HA ALA A 56 13.482 -3.248 3.135 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.759 -3.440 0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.249 -1.896 1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.641 -1.943 0.393 1.00 0.00 H new ATOM 781 N THR A 57 14.984 -4.929 1.964 1.00 0.00 N ATOM 782 CA THR A 57 16.018 -5.885 1.588 1.00 0.00 C ATOM 783 C THR A 57 16.155 -5.979 0.073 1.00 0.00 C ATOM 784 O THR A 57 15.201 -5.728 -0.662 1.00 0.00 O ATOM 785 CB THR A 57 15.719 -7.287 2.153 1.00 0.00 C ATOM 786 OG1 THR A 57 16.767 -8.194 1.794 1.00 0.00 O ATOM 787 CG2 THR A 57 14.388 -7.808 1.631 1.00 0.00 C ATOM 0 H THR A 57 14.101 -5.353 2.248 1.00 0.00 H new ATOM 0 HA THR A 57 16.954 -5.522 2.013 1.00 0.00 H new ATOM 0 HB THR A 57 15.661 -7.212 3.239 1.00 0.00 H new ATOM 0 HG1 THR A 57 16.570 -9.082 2.158 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.198 -8.799 2.043 1.00 0.00 H new ATOM 0 HG22 THR A 57 13.589 -7.131 1.932 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.422 -7.868 0.543 1.00 0.00 H new ATOM 795 N GLU A 58 17.349 -6.343 -0.387 1.00 0.00 N ATOM 796 CA GLU A 58 17.609 -6.470 -1.816 1.00 0.00 C ATOM 797 C GLU A 58 16.749 -7.571 -2.430 1.00 0.00 C ATOM 798 O GLU A 58 16.725 -7.747 -3.648 1.00 0.00 O ATOM 799 CB GLU A 58 19.090 -6.767 -2.062 1.00 0.00 C ATOM 800 CG GLU A 58 19.559 -8.075 -1.447 1.00 0.00 C ATOM 801 CD GLU A 58 19.872 -7.945 0.031 1.00 0.00 C ATOM 802 OE1 GLU A 58 20.353 -6.869 0.443 1.00 0.00 O ATOM 803 OE2 GLU A 58 19.635 -8.919 0.776 1.00 0.00 O ATOM 0 H GLU A 58 18.150 -6.555 0.209 1.00 0.00 H new ATOM 0 HA GLU A 58 17.351 -5.524 -2.292 1.00 0.00 H new ATOM 0 HB2 GLU A 58 19.273 -6.794 -3.136 1.00 0.00 H new ATOM 0 HB3 GLU A 58 19.688 -5.950 -1.658 1.00 0.00 H new ATOM 0 HG2 GLU A 58 18.789 -8.834 -1.586 1.00 0.00 H new ATOM 0 HG3 GLU A 58 20.448 -8.422 -1.974 1.00 0.00 H new ATOM 810 N SER A 59 16.045 -8.308 -1.578 1.00 0.00 N ATOM 811 CA SER A 59 15.187 -9.395 -2.036 1.00 0.00 C ATOM 812 C SER A 59 13.772 -8.892 -2.308 1.00 0.00 C ATOM 813 O SER A 59 12.992 -9.543 -3.003 1.00 0.00 O ATOM 814 CB SER A 59 15.150 -10.517 -0.996 1.00 0.00 C ATOM 815 OG SER A 59 16.339 -11.288 -1.036 1.00 0.00 O ATOM 0 H SER A 59 16.051 -8.173 -0.567 1.00 0.00 H new ATOM 0 HA SER A 59 15.601 -9.785 -2.966 1.00 0.00 H new ATOM 0 HB2 SER A 59 15.022 -10.091 -0.001 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.289 -11.160 -1.180 1.00 0.00 H new ATOM 0 HG SER A 59 16.292 -11.997 -0.361 1.00 0.00 H new ATOM 821 N VAL A 60 13.448 -7.728 -1.754 1.00 0.00 N ATOM 822 CA VAL A 60 12.128 -7.136 -1.937 1.00 0.00 C ATOM 823 C VAL A 60 12.110 -6.192 -3.134 1.00 0.00 C ATOM 824 O VAL A 60 11.351 -6.391 -4.082 1.00 0.00 O ATOM 825 CB VAL A 60 11.681 -6.363 -0.681 1.00 0.00 C ATOM 826 CG1 VAL A 60 10.411 -5.576 -0.963 1.00 0.00 C ATOM 827 CG2 VAL A 60 11.480 -7.316 0.487 1.00 0.00 C ATOM 0 H VAL A 60 14.081 -7.176 -1.175 1.00 0.00 H new ATOM 0 HA VAL A 60 11.434 -7.958 -2.116 1.00 0.00 H new ATOM 0 HB VAL A 60 12.466 -5.656 -0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.110 -5.037 -0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.595 -4.865 -1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.616 -6.261 -1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.165 -6.753 1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.715 -8.049 0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.417 -7.830 0.703 1.00 0.00 H new ATOM 837 N ARG A 61 12.952 -5.165 -3.084 1.00 0.00 N ATOM 838 CA ARG A 61 13.033 -4.190 -4.164 1.00 0.00 C ATOM 839 C ARG A 61 13.077 -4.885 -5.522 1.00 0.00 C ATOM 840 O ARG A 61 12.627 -4.334 -6.527 1.00 0.00 O ATOM 841 CB ARG A 61 14.270 -3.306 -3.991 1.00 0.00 C ATOM 842 CG ARG A 61 15.581 -4.053 -4.172 1.00 0.00 C ATOM 843 CD ARG A 61 16.770 -3.104 -4.151 1.00 0.00 C ATOM 844 NE ARG A 61 17.983 -3.736 -4.662 1.00 0.00 N ATOM 845 CZ ARG A 61 18.244 -3.887 -5.955 1.00 0.00 C ATOM 846 NH1 ARG A 61 17.381 -3.455 -6.864 1.00 0.00 N ATOM 847 NH2 ARG A 61 19.371 -4.472 -6.342 1.00 0.00 N ATOM 0 H ARG A 61 13.588 -4.987 -2.307 1.00 0.00 H new ATOM 0 HA ARG A 61 12.140 -3.566 -4.123 1.00 0.00 H new ATOM 0 HB2 ARG A 61 14.225 -2.488 -4.710 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.251 -2.858 -2.997 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.691 -4.794 -3.380 1.00 0.00 H new ATOM 0 HG3 ARG A 61 15.564 -4.596 -5.117 1.00 0.00 H new ATOM 0 HD2 ARG A 61 16.541 -2.222 -4.749 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.942 -2.761 -3.131 1.00 0.00 H new ATOM 0 HE ARG A 61 18.667 -4.080 -3.989 1.00 0.00 H new ATOM 0 HH11 ARG A 61 16.514 -3.005 -6.571 1.00 0.00 H new ATOM 0 HH12 ARG A 61 17.584 -3.572 -7.857 1.00 0.00 H new ATOM 0 HH21 ARG A 61 20.037 -4.806 -5.646 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.571 -4.588 -7.336 1.00 0.00 H new ATOM 861 N ARG A 62 13.622 -6.097 -5.543 1.00 0.00 N ATOM 862 CA ARG A 62 13.726 -6.866 -6.777 1.00 0.00 C ATOM 863 C ARG A 62 12.454 -7.672 -7.025 1.00 0.00 C ATOM 864 O ARG A 62 11.994 -7.792 -8.161 1.00 0.00 O ATOM 865 CB ARG A 62 14.933 -7.805 -6.717 1.00 0.00 C ATOM 866 CG ARG A 62 14.616 -9.167 -6.124 1.00 0.00 C ATOM 867 CD ARG A 62 15.840 -10.071 -6.118 1.00 0.00 C ATOM 868 NE ARG A 62 15.981 -10.809 -7.370 1.00 0.00 N ATOM 869 CZ ARG A 62 16.764 -11.873 -7.511 1.00 0.00 C ATOM 870 NH1 ARG A 62 17.471 -12.321 -6.483 1.00 0.00 N ATOM 871 NH2 ARG A 62 16.839 -12.491 -8.683 1.00 0.00 N ATOM 0 H ARG A 62 13.998 -6.567 -4.720 1.00 0.00 H new ATOM 0 HA ARG A 62 13.858 -6.166 -7.602 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.328 -7.940 -7.724 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.719 -7.335 -6.126 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.248 -9.045 -5.105 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.817 -9.638 -6.697 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.734 -9.470 -5.949 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.767 -10.775 -5.289 1.00 0.00 H new ATOM 0 HE ARG A 62 15.450 -10.490 -8.180 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.415 -11.849 -5.581 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.071 -13.138 -6.594 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.296 -12.149 -9.476 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.440 -13.308 -8.791 1.00 0.00 H new ATOM 885 N LEU A 63 11.891 -8.222 -5.955 1.00 0.00 N ATOM 886 CA LEU A 63 10.671 -9.016 -6.056 1.00 0.00 C ATOM 887 C LEU A 63 9.450 -8.119 -6.226 1.00 0.00 C ATOM 888 O LEU A 63 8.370 -8.586 -6.594 1.00 0.00 O ATOM 889 CB LEU A 63 10.506 -9.892 -4.813 1.00 0.00 C ATOM 890 CG LEU A 63 9.137 -10.550 -4.633 1.00 0.00 C ATOM 891 CD1 LEU A 63 8.924 -11.633 -5.678 1.00 0.00 C ATOM 892 CD2 LEU A 63 9.003 -11.126 -3.230 1.00 0.00 C ATOM 0 H LEU A 63 12.259 -8.133 -5.008 1.00 0.00 H new ATOM 0 HA LEU A 63 10.754 -9.655 -6.935 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.263 -10.676 -4.842 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.712 -9.282 -3.933 1.00 0.00 H new ATOM 0 HG LEU A 63 8.369 -9.789 -4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.945 -12.090 -5.534 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.976 -11.193 -6.674 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.698 -12.394 -5.576 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.023 -11.590 -3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.779 -11.874 -3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.111 -10.327 -2.497 1.00 0.00 H new ATOM 904 N LEU A 64 9.627 -6.830 -5.960 1.00 0.00 N ATOM 905 CA LEU A 64 8.539 -5.866 -6.086 1.00 0.00 C ATOM 906 C LEU A 64 9.042 -4.551 -6.672 1.00 0.00 C ATOM 907 O LEU A 64 10.098 -4.052 -6.285 1.00 0.00 O ATOM 908 CB LEU A 64 7.892 -5.616 -4.722 1.00 0.00 C ATOM 909 CG LEU A 64 7.511 -6.861 -3.921 1.00 0.00 C ATOM 910 CD1 LEU A 64 7.586 -6.580 -2.429 1.00 0.00 C ATOM 911 CD2 LEU A 64 6.118 -7.338 -4.307 1.00 0.00 C ATOM 0 H LEU A 64 10.514 -6.428 -5.656 1.00 0.00 H new ATOM 0 HA LEU A 64 7.794 -6.283 -6.764 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.577 -5.018 -4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.994 -5.017 -4.873 1.00 0.00 H new ATOM 0 HG LEU A 64 8.222 -7.653 -4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.311 -7.478 -1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.602 -6.287 -2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.898 -5.773 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.863 -8.225 -3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.394 -6.550 -4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.098 -7.581 -5.369 1.00 0.00 H new ATOM 923 N ARG A 65 8.277 -3.995 -7.606 1.00 0.00 N ATOM 924 CA ARG A 65 8.645 -2.737 -8.245 1.00 0.00 C ATOM 925 C ARG A 65 7.832 -1.579 -7.673 1.00 0.00 C ATOM 926 O ARG A 65 6.644 -1.724 -7.384 1.00 0.00 O ATOM 927 CB ARG A 65 8.432 -2.827 -9.757 1.00 0.00 C ATOM 928 CG ARG A 65 9.072 -1.686 -10.531 1.00 0.00 C ATOM 929 CD ARG A 65 8.466 -1.546 -11.919 1.00 0.00 C ATOM 930 NE ARG A 65 7.170 -0.874 -11.885 1.00 0.00 N ATOM 931 CZ ARG A 65 6.369 -0.769 -12.940 1.00 0.00 C ATOM 932 NH1 ARG A 65 6.729 -1.290 -14.105 1.00 0.00 N ATOM 933 NH2 ARG A 65 5.204 -0.143 -12.830 1.00 0.00 N ATOM 0 H ARG A 65 7.399 -4.396 -7.937 1.00 0.00 H new ATOM 0 HA ARG A 65 9.700 -2.551 -8.045 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.838 -3.772 -10.117 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.362 -2.841 -9.965 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.943 -0.754 -9.981 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.145 -1.860 -10.617 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.148 -0.985 -12.558 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.351 -2.534 -12.366 1.00 0.00 H new ATOM 0 HE ARG A 65 6.863 -0.463 -11.003 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.623 -1.773 -14.193 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.112 -1.208 -14.913 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.923 0.258 -11.935 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.590 -0.063 -13.640 1.00 0.00 H new ATOM 947 N LEU A 66 8.480 -0.430 -7.514 1.00 0.00 N ATOM 948 CA LEU A 66 7.817 0.753 -6.976 1.00 0.00 C ATOM 949 C LEU A 66 8.132 1.984 -7.821 1.00 0.00 C ATOM 950 O LEU A 66 9.279 2.203 -8.213 1.00 0.00 O ATOM 951 CB LEU A 66 8.249 0.990 -5.528 1.00 0.00 C ATOM 952 CG LEU A 66 8.000 2.394 -4.975 1.00 0.00 C ATOM 953 CD1 LEU A 66 6.520 2.603 -4.695 1.00 0.00 C ATOM 954 CD2 LEU A 66 8.821 2.623 -3.714 1.00 0.00 C ATOM 0 H LEU A 66 9.463 -0.292 -7.750 1.00 0.00 H new ATOM 0 HA LEU A 66 6.741 0.581 -7.004 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.729 0.273 -4.893 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.314 0.773 -5.447 1.00 0.00 H new ATOM 0 HG LEU A 66 8.312 3.120 -5.725 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.362 3.607 -4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.954 2.482 -5.619 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.181 1.870 -3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.632 3.627 -3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.539 1.890 -2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.881 2.517 -3.946 1.00 0.00 H new ATOM 966 N ASP A 67 7.109 2.785 -8.095 1.00 0.00 N ATOM 967 CA ASP A 67 7.277 3.996 -8.890 1.00 0.00 C ATOM 968 C ASP A 67 7.318 5.231 -7.996 1.00 0.00 C ATOM 969 O ASP A 67 6.872 5.194 -6.849 1.00 0.00 O ATOM 970 CB ASP A 67 6.142 4.125 -9.908 1.00 0.00 C ATOM 971 CG ASP A 67 6.470 3.455 -11.228 1.00 0.00 C ATOM 972 OD1 ASP A 67 7.391 3.932 -11.923 1.00 0.00 O ATOM 973 OD2 ASP A 67 5.805 2.454 -11.565 1.00 0.00 O ATOM 0 H ASP A 67 6.154 2.618 -7.778 1.00 0.00 H new ATOM 0 HA ASP A 67 8.225 3.923 -9.422 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.235 3.683 -9.495 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.932 5.180 -10.082 1.00 0.00 H new ATOM 978 N GLU A 68 7.856 6.324 -8.529 1.00 0.00 N ATOM 979 CA GLU A 68 7.957 7.569 -7.778 1.00 0.00 C ATOM 980 C GLU A 68 7.203 8.693 -8.484 1.00 0.00 C ATOM 981 O GLU A 68 6.741 9.641 -7.849 1.00 0.00 O ATOM 982 CB GLU A 68 9.424 7.963 -7.593 1.00 0.00 C ATOM 983 CG GLU A 68 10.038 8.615 -8.821 1.00 0.00 C ATOM 984 CD GLU A 68 9.843 10.118 -8.842 1.00 0.00 C ATOM 985 OE1 GLU A 68 8.915 10.606 -8.164 1.00 0.00 O ATOM 986 OE2 GLU A 68 10.619 10.807 -9.537 1.00 0.00 O ATOM 0 H GLU A 68 8.228 6.372 -9.477 1.00 0.00 H new ATOM 0 HA GLU A 68 7.505 7.410 -6.799 1.00 0.00 H new ATOM 0 HB2 GLU A 68 9.504 8.649 -6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.001 7.074 -7.337 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.104 8.390 -8.852 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.594 8.182 -9.718 1.00 0.00 H new ATOM 993 N THR A 69 7.082 8.579 -9.803 1.00 0.00 N ATOM 994 CA THR A 69 6.387 9.585 -10.596 1.00 0.00 C ATOM 995 C THR A 69 4.890 9.575 -10.306 1.00 0.00 C ATOM 996 O THR A 69 4.237 10.618 -10.331 1.00 0.00 O ATOM 997 CB THR A 69 6.608 9.362 -12.104 1.00 0.00 C ATOM 998 OG1 THR A 69 5.951 10.391 -12.853 1.00 0.00 O ATOM 999 CG2 THR A 69 6.081 8.001 -12.533 1.00 0.00 C ATOM 0 H THR A 69 7.456 7.800 -10.344 1.00 0.00 H new ATOM 0 HA THR A 69 6.802 10.553 -10.315 1.00 0.00 H new ATOM 0 HB THR A 69 7.680 9.398 -12.301 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.098 10.243 -13.811 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.248 7.866 -13.602 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.603 7.219 -11.983 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.013 7.941 -12.323 1.00 0.00 H new ATOM 1007 N SER A 70 4.353 8.391 -10.032 1.00 0.00 N ATOM 1008 CA SER A 70 2.932 8.245 -9.740 1.00 0.00 C ATOM 1009 C SER A 70 2.717 7.771 -8.306 1.00 0.00 C ATOM 1010 O SER A 70 1.850 8.278 -7.596 1.00 0.00 O ATOM 1011 CB SER A 70 2.288 7.259 -10.717 1.00 0.00 C ATOM 1012 OG SER A 70 2.702 5.931 -10.448 1.00 0.00 O ATOM 0 H SER A 70 4.881 7.518 -10.006 1.00 0.00 H new ATOM 0 HA SER A 70 2.461 9.221 -9.856 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.203 7.327 -10.644 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.556 7.527 -11.739 1.00 0.00 H new ATOM 0 HG SER A 70 2.275 5.320 -11.085 1.00 0.00 H new ATOM 1018 N GLY A 71 3.515 6.794 -7.886 1.00 0.00 N ATOM 1019 CA GLY A 71 3.398 6.267 -6.539 1.00 0.00 C ATOM 1020 C GLY A 71 2.635 4.958 -6.493 1.00 0.00 C ATOM 1021 O GLY A 71 2.076 4.594 -5.459 1.00 0.00 O ATOM 0 H GLY A 71 4.241 6.358 -8.455 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.394 6.118 -6.123 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.895 7.000 -5.908 1.00 0.00 H new ATOM 1025 N TRP A 72 2.611 4.250 -7.616 1.00 0.00 N ATOM 1026 CA TRP A 72 1.910 2.974 -7.700 1.00 0.00 C ATOM 1027 C TRP A 72 2.871 1.809 -7.491 1.00 0.00 C ATOM 1028 O TRP A 72 3.891 1.702 -8.173 1.00 0.00 O ATOM 1029 CB TRP A 72 1.214 2.839 -9.056 1.00 0.00 C ATOM 1030 CG TRP A 72 -0.188 3.368 -9.059 1.00 0.00 C ATOM 1031 CD1 TRP A 72 -0.592 4.616 -9.441 1.00 0.00 C ATOM 1032 CD2 TRP A 72 -1.370 2.666 -8.661 1.00 0.00 C ATOM 1033 NE1 TRP A 72 -1.955 4.731 -9.303 1.00 0.00 N ATOM 1034 CE2 TRP A 72 -2.455 3.549 -8.827 1.00 0.00 C ATOM 1035 CE3 TRP A 72 -1.618 1.377 -8.182 1.00 0.00 C ATOM 1036 CZ2 TRP A 72 -3.765 3.182 -8.530 1.00 0.00 C ATOM 1037 CZ3 TRP A 72 -2.918 1.014 -7.887 1.00 0.00 C ATOM 1038 CH2 TRP A 72 -3.979 1.913 -8.063 1.00 0.00 C ATOM 0 H TRP A 72 3.069 4.538 -8.481 1.00 0.00 H new ATOM 0 HA TRP A 72 1.160 2.948 -6.910 1.00 0.00 H new ATOM 0 HB2 TRP A 72 1.796 3.369 -9.810 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.199 1.788 -9.346 1.00 0.00 H new ATOM 0 HD1 TRP A 72 0.063 5.397 -9.799 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -2.505 5.562 -9.520 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -0.807 0.677 -8.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -4.583 3.874 -8.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.120 0.021 -7.514 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -4.985 1.599 -7.826 1.00 0.00 H new ATOM 1049 N LEU A 73 2.540 0.938 -6.543 1.00 0.00 N ATOM 1050 CA LEU A 73 3.375 -0.220 -6.244 1.00 0.00 C ATOM 1051 C LEU A 73 2.778 -1.491 -6.840 1.00 0.00 C ATOM 1052 O LEU A 73 1.570 -1.716 -6.763 1.00 0.00 O ATOM 1053 CB LEU A 73 3.537 -0.380 -4.731 1.00 0.00 C ATOM 1054 CG LEU A 73 4.850 -1.005 -4.259 1.00 0.00 C ATOM 1055 CD1 LEU A 73 5.062 -0.744 -2.776 1.00 0.00 C ATOM 1056 CD2 LEU A 73 4.862 -2.499 -4.546 1.00 0.00 C ATOM 0 H LEU A 73 1.700 1.012 -5.969 1.00 0.00 H new ATOM 0 HA LEU A 73 4.355 -0.056 -6.693 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.439 0.603 -4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.713 -0.990 -4.360 1.00 0.00 H new ATOM 0 HG LEU A 73 5.669 -0.543 -4.809 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.001 -1.196 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.098 0.331 -2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.239 -1.179 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.804 -2.928 -4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.034 -2.977 -4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.757 -2.664 -5.618 1.00 0.00 H new ATOM 1068 N SER A 74 3.632 -2.319 -7.433 1.00 0.00 N ATOM 1069 CA SER A 74 3.188 -3.566 -8.044 1.00 0.00 C ATOM 1070 C SER A 74 4.301 -4.610 -8.017 1.00 0.00 C ATOM 1071 O SER A 74 5.476 -4.277 -7.863 1.00 0.00 O ATOM 1072 CB SER A 74 2.737 -3.321 -9.485 1.00 0.00 C ATOM 1073 OG SER A 74 3.840 -3.004 -10.317 1.00 0.00 O ATOM 0 H SER A 74 4.635 -2.149 -7.503 1.00 0.00 H new ATOM 0 HA SER A 74 2.344 -3.945 -7.467 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.232 -4.208 -9.867 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.013 -2.507 -9.509 1.00 0.00 H new ATOM 0 HG SER A 74 3.526 -2.854 -11.233 1.00 0.00 H new ATOM 1079 N VAL A 75 3.921 -5.875 -8.170 1.00 0.00 N ATOM 1080 CA VAL A 75 4.886 -6.968 -8.164 1.00 0.00 C ATOM 1081 C VAL A 75 5.778 -6.920 -9.400 1.00 0.00 C ATOM 1082 O VAL A 75 5.355 -6.474 -10.467 1.00 0.00 O ATOM 1083 CB VAL A 75 4.182 -8.337 -8.106 1.00 0.00 C ATOM 1084 CG1 VAL A 75 5.204 -9.463 -8.086 1.00 0.00 C ATOM 1085 CG2 VAL A 75 3.267 -8.414 -6.893 1.00 0.00 C ATOM 0 H VAL A 75 2.953 -6.168 -8.299 1.00 0.00 H new ATOM 0 HA VAL A 75 5.499 -6.844 -7.271 1.00 0.00 H new ATOM 0 HB VAL A 75 3.571 -8.450 -9.001 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.688 -10.422 -8.045 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.813 -9.417 -8.989 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.844 -9.358 -7.210 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.778 -9.388 -6.868 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.855 -8.279 -5.985 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.512 -7.630 -6.956 1.00 0.00 H new ATOM 1095 N LEU A 76 7.014 -7.383 -9.248 1.00 0.00 N ATOM 1096 CA LEU A 76 7.967 -7.393 -10.352 1.00 0.00 C ATOM 1097 C LEU A 76 8.300 -8.822 -10.771 1.00 0.00 C ATOM 1098 O LEU A 76 8.409 -9.122 -11.960 1.00 0.00 O ATOM 1099 CB LEU A 76 9.246 -6.655 -9.955 1.00 0.00 C ATOM 1100 CG LEU A 76 10.269 -6.435 -11.070 1.00 0.00 C ATOM 1101 CD1 LEU A 76 9.665 -5.604 -12.192 1.00 0.00 C ATOM 1102 CD2 LEU A 76 11.520 -5.764 -10.522 1.00 0.00 C ATOM 0 H LEU A 76 7.379 -7.756 -8.372 1.00 0.00 H new ATOM 0 HA LEU A 76 7.509 -6.883 -11.199 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.969 -5.683 -9.547 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.728 -7.212 -9.152 1.00 0.00 H new ATOM 0 HG LEU A 76 10.550 -7.407 -11.475 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.407 -5.458 -12.977 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.799 -6.123 -12.604 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.355 -4.635 -11.801 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.237 -5.615 -11.330 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.256 -4.799 -10.090 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.965 -6.396 -9.754 1.00 0.00 H new ATOM 1114 N HIS A 77 8.458 -9.700 -9.785 1.00 0.00 N ATOM 1115 CA HIS A 77 8.776 -11.098 -10.051 1.00 0.00 C ATOM 1116 C HIS A 77 7.838 -12.024 -9.282 1.00 0.00 C ATOM 1117 O HIS A 77 7.222 -11.620 -8.296 1.00 0.00 O ATOM 1118 CB HIS A 77 10.227 -11.395 -9.672 1.00 0.00 C ATOM 1119 CG HIS A 77 11.220 -10.924 -10.691 1.00 0.00 C ATOM 1120 ND1 HIS A 77 11.425 -11.566 -11.894 1.00 0.00 N ATOM 1121 CD2 HIS A 77 12.065 -9.867 -10.680 1.00 0.00 C ATOM 1122 CE1 HIS A 77 12.355 -10.925 -12.579 1.00 0.00 C ATOM 1123 NE2 HIS A 77 12.760 -9.890 -11.865 1.00 0.00 N ATOM 0 H HIS A 77 8.371 -9.468 -8.796 1.00 0.00 H new ATOM 0 HA HIS A 77 8.643 -11.278 -11.118 1.00 0.00 H new ATOM 0 HB2 HIS A 77 10.448 -10.922 -8.715 1.00 0.00 H new ATOM 0 HB3 HIS A 77 10.345 -12.469 -9.531 1.00 0.00 H new ATOM 0 HD2 HIS A 77 12.173 -9.141 -9.888 1.00 0.00 H new ATOM 0 HE1 HIS A 77 12.722 -11.200 -13.557 1.00 0.00 H new ATOM 0 HE2 HIS A 77 13.473 -9.217 -12.147 1.00 0.00 H new ATOM 1132 N ARG A 78 7.734 -13.267 -9.741 1.00 0.00 N ATOM 1133 CA ARG A 78 6.870 -14.249 -9.097 1.00 0.00 C ATOM 1134 C ARG A 78 7.067 -14.238 -7.584 1.00 0.00 C ATOM 1135 O ARG A 78 8.144 -13.902 -7.091 1.00 0.00 O ATOM 1136 CB ARG A 78 7.153 -15.648 -9.648 1.00 0.00 C ATOM 1137 CG ARG A 78 6.435 -15.944 -10.955 1.00 0.00 C ATOM 1138 CD ARG A 78 7.306 -15.615 -12.157 1.00 0.00 C ATOM 1139 NE ARG A 78 8.108 -16.759 -12.581 1.00 0.00 N ATOM 1140 CZ ARG A 78 8.602 -16.896 -13.807 1.00 0.00 C ATOM 1141 NH1 ARG A 78 8.377 -15.965 -14.724 1.00 0.00 N ATOM 1142 NH2 ARG A 78 9.323 -17.966 -14.117 1.00 0.00 N ATOM 0 H ARG A 78 8.237 -13.618 -10.556 1.00 0.00 H new ATOM 0 HA ARG A 78 5.836 -13.982 -9.313 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.227 -15.759 -9.800 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.858 -16.389 -8.905 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.153 -16.996 -10.986 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.513 -15.365 -11.004 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.675 -15.289 -12.984 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.964 -14.782 -11.910 1.00 0.00 H new ATOM 0 HE ARG A 78 8.300 -17.493 -11.899 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.824 -15.141 -14.489 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.757 -16.073 -15.664 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.498 -18.684 -13.414 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.702 -18.070 -15.058 1.00 0.00 H new ATOM 1156 N ILE A 79 6.020 -14.607 -6.854 1.00 0.00 N ATOM 1157 CA ILE A 79 6.078 -14.639 -5.398 1.00 0.00 C ATOM 1158 C ILE A 79 5.729 -16.024 -4.864 1.00 0.00 C ATOM 1159 O ILE A 79 4.822 -16.685 -5.370 1.00 0.00 O ATOM 1160 CB ILE A 79 5.123 -13.605 -4.772 1.00 0.00 C ATOM 1161 CG1 ILE A 79 5.547 -12.187 -5.162 1.00 0.00 C ATOM 1162 CG2 ILE A 79 5.094 -13.758 -3.259 1.00 0.00 C ATOM 1163 CD1 ILE A 79 4.482 -11.145 -4.899 1.00 0.00 C ATOM 0 H ILE A 79 5.122 -14.888 -7.247 1.00 0.00 H new ATOM 0 HA ILE A 79 7.102 -14.391 -5.119 1.00 0.00 H new ATOM 0 HB ILE A 79 4.118 -13.782 -5.154 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.448 -11.921 -4.610 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.805 -12.172 -6.221 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.415 -13.020 -2.832 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.751 -14.760 -3.001 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.096 -13.604 -2.858 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.851 -10.164 -5.199 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.587 -11.387 -5.472 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.240 -11.132 -3.836 1.00 0.00 H new ATOM 1175 N ASP A 80 6.454 -16.458 -3.839 1.00 0.00 N ATOM 1176 CA ASP A 80 6.219 -17.763 -3.234 1.00 0.00 C ATOM 1177 C ASP A 80 5.972 -17.631 -1.734 1.00 0.00 C ATOM 1178 O ASP A 80 6.693 -16.919 -1.037 1.00 0.00 O ATOM 1179 CB ASP A 80 7.410 -18.688 -3.487 1.00 0.00 C ATOM 1180 CG ASP A 80 7.184 -20.086 -2.945 1.00 0.00 C ATOM 1181 OD1 ASP A 80 6.068 -20.617 -3.123 1.00 0.00 O ATOM 1182 OD2 ASP A 80 8.122 -20.648 -2.342 1.00 0.00 O ATOM 0 H ASP A 80 7.210 -15.924 -3.410 1.00 0.00 H new ATOM 0 HA ASP A 80 5.330 -18.194 -3.694 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.602 -18.744 -4.559 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.301 -18.262 -3.026 1.00 0.00 H new ATOM 1187 N ARG A 81 4.947 -18.322 -1.246 1.00 0.00 N ATOM 1188 CA ARG A 81 4.603 -18.280 0.171 1.00 0.00 C ATOM 1189 C ARG A 81 5.532 -19.177 0.983 1.00 0.00 C ATOM 1190 O ARG A 81 5.845 -18.881 2.135 1.00 0.00 O ATOM 1191 CB ARG A 81 3.150 -18.712 0.378 1.00 0.00 C ATOM 1192 CG ARG A 81 2.622 -18.423 1.773 1.00 0.00 C ATOM 1193 CD ARG A 81 2.867 -19.591 2.715 1.00 0.00 C ATOM 1194 NE ARG A 81 2.963 -19.161 4.107 1.00 0.00 N ATOM 1195 CZ ARG A 81 2.710 -19.956 5.141 1.00 0.00 C ATOM 1196 NH1 ARG A 81 2.349 -21.215 4.940 1.00 0.00 N ATOM 1197 NH2 ARG A 81 2.819 -19.491 6.379 1.00 0.00 N ATOM 0 H ARG A 81 4.340 -18.917 -1.810 1.00 0.00 H new ATOM 0 HA ARG A 81 4.723 -17.254 0.518 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.521 -18.203 -0.352 1.00 0.00 H new ATOM 0 HB3 ARG A 81 3.066 -19.781 0.181 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.104 -17.529 2.168 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.554 -18.213 1.722 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.058 -20.314 2.614 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.787 -20.101 2.429 1.00 0.00 H new ATOM 0 HE ARG A 81 3.239 -18.198 4.296 1.00 0.00 H new ATOM 0 HH11 ARG A 81 2.265 -21.576 3.990 1.00 0.00 H new ATOM 0 HH12 ARG A 81 2.155 -21.823 5.736 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.097 -18.523 6.537 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.625 -20.102 7.172 1.00 0.00 H new ATOM 1211 N GLU A 82 5.969 -20.274 0.373 1.00 0.00 N ATOM 1212 CA GLU A 82 6.861 -21.215 1.040 1.00 0.00 C ATOM 1213 C GLU A 82 8.161 -20.531 1.455 1.00 0.00 C ATOM 1214 O GLU A 82 8.593 -20.641 2.602 1.00 0.00 O ATOM 1215 CB GLU A 82 7.167 -22.401 0.123 1.00 0.00 C ATOM 1216 CG GLU A 82 7.508 -23.678 0.873 1.00 0.00 C ATOM 1217 CD GLU A 82 8.402 -24.604 0.071 1.00 0.00 C ATOM 1218 OE1 GLU A 82 9.470 -24.149 -0.387 1.00 0.00 O ATOM 1219 OE2 GLU A 82 8.031 -25.785 -0.099 1.00 0.00 O ATOM 0 H GLU A 82 5.720 -20.533 -0.582 1.00 0.00 H new ATOM 0 HA GLU A 82 6.359 -21.579 1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.305 -22.585 -0.518 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.000 -22.139 -0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.002 -23.423 1.810 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.587 -24.201 1.130 1.00 0.00 H new ATOM 1226 N GLU A 83 8.778 -19.825 0.514 1.00 0.00 N ATOM 1227 CA GLU A 83 10.029 -19.124 0.781 1.00 0.00 C ATOM 1228 C GLU A 83 9.819 -18.006 1.798 1.00 0.00 C ATOM 1229 O GLU A 83 10.657 -17.779 2.671 1.00 0.00 O ATOM 1230 CB GLU A 83 10.604 -18.548 -0.514 1.00 0.00 C ATOM 1231 CG GLU A 83 9.825 -17.360 -1.052 1.00 0.00 C ATOM 1232 CD GLU A 83 10.330 -16.894 -2.403 1.00 0.00 C ATOM 1233 OE1 GLU A 83 10.538 -17.752 -3.286 1.00 0.00 O ATOM 1234 OE2 GLU A 83 10.517 -15.672 -2.578 1.00 0.00 O ATOM 0 H GLU A 83 8.433 -19.723 -0.440 1.00 0.00 H new ATOM 0 HA GLU A 83 10.736 -19.842 1.196 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.637 -18.245 -0.340 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.625 -19.331 -1.272 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.772 -17.629 -1.135 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.889 -16.536 -0.341 1.00 0.00 H new ATOM 1241 N VAL A 84 8.693 -17.309 1.679 1.00 0.00 N ATOM 1242 CA VAL A 84 8.371 -16.214 2.587 1.00 0.00 C ATOM 1243 C VAL A 84 6.881 -16.185 2.906 1.00 0.00 C ATOM 1244 O VAL A 84 6.043 -16.328 2.017 1.00 0.00 O ATOM 1245 CB VAL A 84 8.786 -14.854 1.995 1.00 0.00 C ATOM 1246 CG1 VAL A 84 10.299 -14.764 1.870 1.00 0.00 C ATOM 1247 CG2 VAL A 84 8.117 -14.634 0.647 1.00 0.00 C ATOM 0 H VAL A 84 7.988 -17.483 0.962 1.00 0.00 H new ATOM 0 HA VAL A 84 8.932 -16.388 3.505 1.00 0.00 H new ATOM 0 HB VAL A 84 8.455 -14.067 2.672 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.572 -13.796 1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.753 -14.873 2.855 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.658 -15.558 1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.421 -13.668 0.243 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.415 -15.425 -0.041 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.034 -14.650 0.771 1.00 0.00 H new ATOM 1257 N ASN A 85 6.558 -15.997 4.181 1.00 0.00 N ATOM 1258 CA ASN A 85 5.168 -15.949 4.619 1.00 0.00 C ATOM 1259 C ASN A 85 4.668 -14.509 4.685 1.00 0.00 C ATOM 1260 O ASN A 85 3.494 -14.237 4.435 1.00 0.00 O ATOM 1261 CB ASN A 85 5.018 -16.616 5.987 1.00 0.00 C ATOM 1262 CG ASN A 85 6.192 -16.327 6.903 1.00 0.00 C ATOM 1263 OD1 ASN A 85 6.144 -15.406 7.719 1.00 0.00 O ATOM 1264 ND2 ASN A 85 7.253 -17.113 6.771 1.00 0.00 N ATOM 0 H ASN A 85 7.240 -15.875 4.929 1.00 0.00 H new ATOM 0 HA ASN A 85 4.565 -16.491 3.891 1.00 0.00 H new ATOM 0 HB2 ASN A 85 4.099 -16.269 6.459 1.00 0.00 H new ATOM 0 HB3 ASN A 85 4.921 -17.694 5.854 1.00 0.00 H new ATOM 0 HD21 ASN A 85 8.073 -16.966 7.359 1.00 0.00 H new ATOM 0 HD22 ASN A 85 7.248 -17.864 6.081 1.00 0.00 H new ATOM 1271 N GLN A 86 5.568 -13.591 5.024 1.00 0.00 N ATOM 1272 CA GLN A 86 5.218 -12.179 5.124 1.00 0.00 C ATOM 1273 C GLN A 86 6.359 -11.299 4.624 1.00 0.00 C ATOM 1274 O GLN A 86 7.519 -11.503 4.986 1.00 0.00 O ATOM 1275 CB GLN A 86 4.875 -11.818 6.570 1.00 0.00 C ATOM 1276 CG GLN A 86 4.600 -10.337 6.778 1.00 0.00 C ATOM 1277 CD GLN A 86 4.784 -9.907 8.220 1.00 0.00 C ATOM 1278 OE1 GLN A 86 5.844 -9.407 8.601 1.00 0.00 O ATOM 1279 NE2 GLN A 86 3.751 -10.099 9.032 1.00 0.00 N ATOM 0 H GLN A 86 6.544 -13.800 5.234 1.00 0.00 H new ATOM 0 HA GLN A 86 4.345 -12.001 4.496 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.000 -12.389 6.881 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.699 -12.121 7.217 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.266 -9.755 6.141 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.581 -10.113 6.463 1.00 0.00 H new ATOM 0 HE21 GLN A 86 2.892 -10.516 8.674 1.00 0.00 H new ATOM 0 HE22 GLN A 86 3.817 -9.829 10.013 1.00 0.00 H new ATOM 1288 N LEU A 87 6.024 -10.321 3.791 1.00 0.00 N ATOM 1289 CA LEU A 87 7.021 -9.409 3.241 1.00 0.00 C ATOM 1290 C LEU A 87 6.892 -8.022 3.863 1.00 0.00 C ATOM 1291 O LEU A 87 5.879 -7.344 3.687 1.00 0.00 O ATOM 1292 CB LEU A 87 6.872 -9.315 1.722 1.00 0.00 C ATOM 1293 CG LEU A 87 7.150 -10.599 0.940 1.00 0.00 C ATOM 1294 CD1 LEU A 87 6.558 -10.512 -0.458 1.00 0.00 C ATOM 1295 CD2 LEU A 87 8.646 -10.868 0.871 1.00 0.00 C ATOM 0 H LEU A 87 5.069 -10.139 3.481 1.00 0.00 H new ATOM 0 HA LEU A 87 8.009 -9.803 3.479 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.857 -8.988 1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.545 -8.539 1.358 1.00 0.00 H new ATOM 0 HG LEU A 87 6.675 -11.429 1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.766 -11.435 -0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.480 -10.367 -0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.003 -9.671 -0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.825 -11.786 0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.143 -10.036 0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.043 -10.976 1.880 1.00 0.00 H new ATOM 1307 N ARG A 88 7.925 -7.605 4.588 1.00 0.00 N ATOM 1308 CA ARG A 88 7.927 -6.299 5.234 1.00 0.00 C ATOM 1309 C ARG A 88 9.030 -5.412 4.663 1.00 0.00 C ATOM 1310 O ARG A 88 10.210 -5.756 4.720 1.00 0.00 O ATOM 1311 CB ARG A 88 8.113 -6.454 6.745 1.00 0.00 C ATOM 1312 CG ARG A 88 6.806 -6.567 7.511 1.00 0.00 C ATOM 1313 CD ARG A 88 7.042 -6.600 9.013 1.00 0.00 C ATOM 1314 NE ARG A 88 7.316 -5.271 9.553 1.00 0.00 N ATOM 1315 CZ ARG A 88 7.828 -5.060 10.761 1.00 0.00 C ATOM 1316 NH1 ARG A 88 8.121 -6.085 11.549 1.00 0.00 N ATOM 1317 NH2 ARG A 88 8.050 -3.821 11.181 1.00 0.00 N ATOM 0 H ARG A 88 8.771 -8.153 4.742 1.00 0.00 H new ATOM 0 HA ARG A 88 6.965 -5.824 5.040 1.00 0.00 H new ATOM 0 HB2 ARG A 88 8.716 -7.341 6.939 1.00 0.00 H new ATOM 0 HB3 ARG A 88 8.673 -5.599 7.123 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.162 -5.724 7.261 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.280 -7.471 7.204 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.166 -7.019 9.508 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.880 -7.261 9.234 1.00 0.00 H new ATOM 0 HE ARG A 88 7.103 -4.461 8.971 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.954 -7.039 11.229 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.514 -5.920 12.476 1.00 0.00 H new ATOM 0 HH21 ARG A 88 7.828 -3.030 10.577 1.00 0.00 H new ATOM 0 HH22 ARG A 88 8.443 -3.660 12.108 1.00 0.00 H new ATOM 1331 N PHE A 89 8.636 -4.268 4.112 1.00 0.00 N ATOM 1332 CA PHE A 89 9.590 -3.332 3.529 1.00 0.00 C ATOM 1333 C PHE A 89 9.146 -1.890 3.756 1.00 0.00 C ATOM 1334 O PHE A 89 7.963 -1.567 3.640 1.00 0.00 O ATOM 1335 CB PHE A 89 9.748 -3.599 2.031 1.00 0.00 C ATOM 1336 CG PHE A 89 8.448 -3.586 1.279 1.00 0.00 C ATOM 1337 CD1 PHE A 89 7.881 -2.390 0.869 1.00 0.00 C ATOM 1338 CD2 PHE A 89 7.792 -4.771 0.984 1.00 0.00 C ATOM 1339 CE1 PHE A 89 6.684 -2.375 0.177 1.00 0.00 C ATOM 1340 CE2 PHE A 89 6.595 -4.762 0.292 1.00 0.00 C ATOM 1341 CZ PHE A 89 6.040 -3.563 -0.111 1.00 0.00 C ATOM 0 H PHE A 89 7.663 -3.967 4.057 1.00 0.00 H new ATOM 0 HA PHE A 89 10.552 -3.479 4.021 1.00 0.00 H new ATOM 0 HB2 PHE A 89 10.413 -2.848 1.604 1.00 0.00 H new ATOM 0 HB3 PHE A 89 10.230 -4.567 1.891 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.380 -1.459 1.093 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.220 -5.711 1.298 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.253 -1.436 -0.138 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.094 -5.692 0.067 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.104 -3.554 -0.650 1.00 0.00 H new ATOM 1351 N THR A 90 10.103 -1.027 4.082 1.00 0.00 N ATOM 1352 CA THR A 90 9.811 0.380 4.328 1.00 0.00 C ATOM 1353 C THR A 90 10.024 1.213 3.070 1.00 0.00 C ATOM 1354 O THR A 90 10.883 0.902 2.244 1.00 0.00 O ATOM 1355 CB THR A 90 10.689 0.946 5.460 1.00 0.00 C ATOM 1356 OG1 THR A 90 10.701 0.042 6.570 1.00 0.00 O ATOM 1357 CG2 THR A 90 10.179 2.306 5.912 1.00 0.00 C ATOM 0 H THR A 90 11.087 -1.278 4.182 1.00 0.00 H new ATOM 0 HA THR A 90 8.764 0.439 4.626 1.00 0.00 H new ATOM 0 HB THR A 90 11.703 1.065 5.078 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.263 0.409 7.284 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.815 2.686 6.712 1.00 0.00 H new ATOM 0 HG22 THR A 90 10.200 3.000 5.072 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.156 2.208 6.277 1.00 0.00 H new ATOM 1365 N VAL A 91 9.237 2.275 2.928 1.00 0.00 N ATOM 1366 CA VAL A 91 9.340 3.155 1.770 1.00 0.00 C ATOM 1367 C VAL A 91 9.607 4.595 2.196 1.00 0.00 C ATOM 1368 O VAL A 91 8.985 5.102 3.129 1.00 0.00 O ATOM 1369 CB VAL A 91 8.059 3.113 0.917 1.00 0.00 C ATOM 1370 CG1 VAL A 91 7.890 1.745 0.274 1.00 0.00 C ATOM 1371 CG2 VAL A 91 6.845 3.468 1.762 1.00 0.00 C ATOM 0 H VAL A 91 8.521 2.547 3.601 1.00 0.00 H new ATOM 0 HA VAL A 91 10.177 2.795 1.172 1.00 0.00 H new ATOM 0 HB VAL A 91 8.148 3.853 0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.979 1.734 -0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.747 1.535 -0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.822 0.984 1.051 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.948 3.433 1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.749 2.754 2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.966 4.472 2.169 1.00 0.00 H new ATOM 1381 N MET A 92 10.536 5.247 1.506 1.00 0.00 N ATOM 1382 CA MET A 92 10.885 6.630 1.812 1.00 0.00 C ATOM 1383 C MET A 92 10.139 7.594 0.895 1.00 0.00 C ATOM 1384 O MET A 92 9.655 7.205 -0.168 1.00 0.00 O ATOM 1385 CB MET A 92 12.394 6.841 1.675 1.00 0.00 C ATOM 1386 CG MET A 92 13.165 6.562 2.955 1.00 0.00 C ATOM 1387 SD MET A 92 14.755 7.411 3.006 1.00 0.00 S ATOM 1388 CE MET A 92 15.394 7.032 1.376 1.00 0.00 C ATOM 0 H MET A 92 11.061 4.841 0.731 1.00 0.00 H new ATOM 0 HA MET A 92 10.590 6.834 2.841 1.00 0.00 H new ATOM 0 HB2 MET A 92 12.773 6.194 0.884 1.00 0.00 H new ATOM 0 HB3 MET A 92 12.582 7.869 1.364 1.00 0.00 H new ATOM 0 HG2 MET A 92 12.565 6.871 3.811 1.00 0.00 H new ATOM 0 HG3 MET A 92 13.327 5.488 3.050 1.00 0.00 H new ATOM 0 HE1 MET A 92 16.471 7.201 1.359 1.00 0.00 H new ATOM 0 HE2 MET A 92 15.186 5.989 1.137 1.00 0.00 H new ATOM 0 HE3 MET A 92 14.914 7.676 0.638 1.00 0.00 H new ATOM 1398 N ALA A 93 10.052 8.853 1.312 1.00 0.00 N ATOM 1399 CA ALA A 93 9.367 9.872 0.527 1.00 0.00 C ATOM 1400 C ALA A 93 10.161 11.174 0.505 1.00 0.00 C ATOM 1401 O ALA A 93 10.317 11.834 1.532 1.00 0.00 O ATOM 1402 CB ALA A 93 7.970 10.113 1.078 1.00 0.00 C ATOM 0 H ALA A 93 10.448 9.191 2.189 1.00 0.00 H new ATOM 0 HA ALA A 93 9.284 9.510 -0.498 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.470 10.877 0.482 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.397 9.187 1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.040 10.449 2.113 1.00 0.00 H new ATOM 1408 N ARG A 94 10.661 11.537 -0.672 1.00 0.00 N ATOM 1409 CA ARG A 94 11.441 12.759 -0.826 1.00 0.00 C ATOM 1410 C ARG A 94 10.574 13.892 -1.367 1.00 0.00 C ATOM 1411 O ARG A 94 9.840 13.716 -2.340 1.00 0.00 O ATOM 1412 CB ARG A 94 12.626 12.518 -1.762 1.00 0.00 C ATOM 1413 CG ARG A 94 13.455 11.298 -1.394 1.00 0.00 C ATOM 1414 CD ARG A 94 14.909 11.468 -1.804 1.00 0.00 C ATOM 1415 NE ARG A 94 15.080 11.411 -3.253 1.00 0.00 N ATOM 1416 CZ ARG A 94 16.258 11.511 -3.859 1.00 0.00 C ATOM 1417 NH1 ARG A 94 17.363 11.670 -3.144 1.00 0.00 N ATOM 1418 NH2 ARG A 94 16.332 11.450 -5.182 1.00 0.00 N ATOM 0 H ARG A 94 10.540 11.002 -1.532 1.00 0.00 H new ATOM 0 HA ARG A 94 11.815 13.048 0.156 1.00 0.00 H new ATOM 0 HB2 ARG A 94 12.256 12.401 -2.780 1.00 0.00 H new ATOM 0 HB3 ARG A 94 13.268 13.399 -1.755 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.397 11.128 -0.319 1.00 0.00 H new ATOM 0 HG3 ARG A 94 13.040 10.415 -1.879 1.00 0.00 H new ATOM 0 HD2 ARG A 94 15.281 12.423 -1.433 1.00 0.00 H new ATOM 0 HD3 ARG A 94 15.511 10.688 -1.337 1.00 0.00 H new ATOM 0 HE ARG A 94 14.249 11.288 -3.832 1.00 0.00 H new ATOM 0 HH11 ARG A 94 17.310 11.716 -2.126 1.00 0.00 H new ATOM 0 HH12 ARG A 94 18.266 11.747 -3.611 1.00 0.00 H new ATOM 0 HH21 ARG A 94 15.484 11.326 -5.735 1.00 0.00 H new ATOM 0 HH22 ARG A 94 17.237 11.527 -5.646 1.00 0.00 H new ATOM 1432 N ASP A 95 10.664 15.055 -0.730 1.00 0.00 N ATOM 1433 CA ASP A 95 9.888 16.217 -1.148 1.00 0.00 C ATOM 1434 C ASP A 95 10.778 17.242 -1.844 1.00 0.00 C ATOM 1435 O ASP A 95 12.005 17.142 -1.806 1.00 0.00 O ATOM 1436 CB ASP A 95 9.200 16.857 0.059 1.00 0.00 C ATOM 1437 CG ASP A 95 8.799 18.297 -0.200 1.00 0.00 C ATOM 1438 OD1 ASP A 95 9.649 19.191 -0.010 1.00 0.00 O ATOM 1439 OD2 ASP A 95 7.636 18.528 -0.590 1.00 0.00 O ATOM 0 H ASP A 95 11.266 15.218 0.077 1.00 0.00 H new ATOM 0 HA ASP A 95 9.129 15.882 -1.855 1.00 0.00 H new ATOM 0 HB2 ASP A 95 8.314 16.277 0.319 1.00 0.00 H new ATOM 0 HB3 ASP A 95 9.870 16.818 0.918 1.00 0.00 H new ATOM 1444 N ARG A 96 10.152 18.227 -2.480 1.00 0.00 N ATOM 1445 CA ARG A 96 10.886 19.269 -3.187 1.00 0.00 C ATOM 1446 C ARG A 96 11.444 20.299 -2.210 1.00 0.00 C ATOM 1447 O ARG A 96 11.250 21.502 -2.383 1.00 0.00 O ATOM 1448 CB ARG A 96 9.980 19.957 -4.209 1.00 0.00 C ATOM 1449 CG ARG A 96 9.563 19.055 -5.359 1.00 0.00 C ATOM 1450 CD ARG A 96 10.711 18.819 -6.328 1.00 0.00 C ATOM 1451 NE ARG A 96 11.021 20.013 -7.109 1.00 0.00 N ATOM 1452 CZ ARG A 96 11.907 20.929 -6.733 1.00 0.00 C ATOM 1453 NH1 ARG A 96 12.567 20.787 -5.592 1.00 0.00 N ATOM 1454 NH2 ARG A 96 12.135 21.988 -7.499 1.00 0.00 N ATOM 0 H ARG A 96 9.138 18.325 -2.520 1.00 0.00 H new ATOM 0 HA ARG A 96 11.720 18.800 -3.709 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.087 20.322 -3.702 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.497 20.829 -4.611 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.216 18.100 -4.966 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.724 19.505 -5.890 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.596 18.509 -5.773 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.455 18.001 -7.002 1.00 0.00 H new ATOM 0 HE ARG A 96 10.530 20.152 -7.992 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.395 19.974 -5.001 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.247 21.491 -5.305 1.00 0.00 H new ATOM 0 HH21 ARG A 96 11.630 22.100 -8.378 1.00 0.00 H new ATOM 0 HH22 ARG A 96 12.815 22.690 -7.209 1.00 0.00 H new ATOM 1468 N GLY A 97 12.138 19.819 -1.182 1.00 0.00 N ATOM 1469 CA GLY A 97 12.712 20.711 -0.193 1.00 0.00 C ATOM 1470 C GLY A 97 14.126 20.320 0.189 1.00 0.00 C ATOM 1471 O GLY A 97 14.595 19.240 -0.167 1.00 0.00 O ATOM 0 H GLY A 97 12.313 18.828 -1.017 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.713 21.729 -0.583 1.00 0.00 H new ATOM 0 HA3 GLY A 97 12.085 20.712 0.699 1.00 0.00 H new ATOM 1475 N GLN A 98 14.806 21.202 0.915 1.00 0.00 N ATOM 1476 CA GLN A 98 16.176 20.943 1.343 1.00 0.00 C ATOM 1477 C GLN A 98 16.469 21.628 2.674 1.00 0.00 C ATOM 1478 O GLN A 98 16.342 22.844 2.815 1.00 0.00 O ATOM 1479 CB GLN A 98 17.165 21.425 0.280 1.00 0.00 C ATOM 1480 CG GLN A 98 16.873 22.827 -0.231 1.00 0.00 C ATOM 1481 CD GLN A 98 18.064 23.452 -0.932 1.00 0.00 C ATOM 1482 OE1 GLN A 98 19.058 22.781 -1.209 1.00 0.00 O ATOM 1483 NE2 GLN A 98 17.969 24.744 -1.222 1.00 0.00 N ATOM 0 H GLN A 98 14.431 22.101 1.219 1.00 0.00 H new ATOM 0 HA GLN A 98 16.291 19.867 1.475 1.00 0.00 H new ATOM 0 HB2 GLN A 98 18.172 21.401 0.695 1.00 0.00 H new ATOM 0 HB3 GLN A 98 17.150 20.731 -0.560 1.00 0.00 H new ATOM 0 HG2 GLN A 98 16.029 22.790 -0.920 1.00 0.00 H new ATOM 0 HG3 GLN A 98 16.575 23.460 0.605 1.00 0.00 H new ATOM 0 HE21 GLN A 98 17.126 25.262 -0.974 1.00 0.00 H new ATOM 0 HE22 GLN A 98 18.739 25.219 -1.693 1.00 0.00 H new ATOM 1492 N PRO A 99 16.869 20.830 3.675 1.00 0.00 N ATOM 1493 CA PRO A 99 17.022 19.381 3.519 1.00 0.00 C ATOM 1494 C PRO A 99 15.683 18.670 3.357 1.00 0.00 C ATOM 1495 O PRO A 99 14.700 18.988 4.026 1.00 0.00 O ATOM 1496 CB PRO A 99 17.701 18.953 4.823 1.00 0.00 C ATOM 1497 CG PRO A 99 17.312 19.997 5.812 1.00 0.00 C ATOM 1498 CD PRO A 99 17.202 21.281 5.036 1.00 0.00 C ATOM 0 HA PRO A 99 17.589 19.126 2.624 1.00 0.00 H new ATOM 0 HB2 PRO A 99 17.366 17.965 5.138 1.00 0.00 H new ATOM 0 HB3 PRO A 99 18.784 18.901 4.707 1.00 0.00 H new ATOM 0 HG2 PRO A 99 16.365 19.748 6.291 1.00 0.00 H new ATOM 0 HG3 PRO A 99 18.057 20.082 6.604 1.00 0.00 H new ATOM 0 HD2 PRO A 99 16.429 21.932 5.444 1.00 0.00 H new ATOM 0 HD3 PRO A 99 18.135 21.844 5.056 1.00 0.00 H new ATOM 1506 N PRO A 100 15.641 17.684 2.449 1.00 0.00 N ATOM 1507 CA PRO A 100 14.428 16.907 2.179 1.00 0.00 C ATOM 1508 C PRO A 100 14.058 15.987 3.338 1.00 0.00 C ATOM 1509 O PRO A 100 14.900 15.250 3.852 1.00 0.00 O ATOM 1510 CB PRO A 100 14.800 16.085 0.942 1.00 0.00 C ATOM 1511 CG PRO A 100 16.284 15.972 0.996 1.00 0.00 C ATOM 1512 CD PRO A 100 16.775 17.251 1.615 1.00 0.00 C ATOM 0 HA PRO A 100 13.558 17.548 2.036 1.00 0.00 H new ATOM 0 HB2 PRO A 100 14.327 15.103 0.962 1.00 0.00 H new ATOM 0 HB3 PRO A 100 14.473 16.578 0.026 1.00 0.00 H new ATOM 0 HG2 PRO A 100 16.588 15.110 1.589 1.00 0.00 H new ATOM 0 HG3 PRO A 100 16.701 15.836 -0.002 1.00 0.00 H new ATOM 0 HD2 PRO A 100 17.673 17.090 2.211 1.00 0.00 H new ATOM 0 HD3 PRO A 100 17.024 17.994 0.858 1.00 0.00 H new ATOM 1520 N LYS A 101 12.795 16.035 3.746 1.00 0.00 N ATOM 1521 CA LYS A 101 12.313 15.205 4.843 1.00 0.00 C ATOM 1522 C LYS A 101 11.861 13.840 4.335 1.00 0.00 C ATOM 1523 O LYS A 101 10.729 13.679 3.879 1.00 0.00 O ATOM 1524 CB LYS A 101 11.156 15.901 5.566 1.00 0.00 C ATOM 1525 CG LYS A 101 11.607 16.849 6.663 1.00 0.00 C ATOM 1526 CD LYS A 101 11.983 18.211 6.104 1.00 0.00 C ATOM 1527 CE LYS A 101 10.778 19.136 6.034 1.00 0.00 C ATOM 1528 NZ LYS A 101 9.885 18.798 4.891 1.00 0.00 N ATOM 0 H LYS A 101 12.086 16.641 3.333 1.00 0.00 H new ATOM 0 HA LYS A 101 13.136 15.058 5.543 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.565 16.456 4.838 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.501 15.144 5.998 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.809 16.964 7.397 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.462 16.421 7.186 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.754 18.662 6.729 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.410 18.092 5.108 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.216 19.071 6.966 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.117 20.167 5.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 9.122 19.502 4.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 10.435 18.802 4.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 9.474 17.854 5.039 1.00 0.00 H new ATOM 1542 N THR A 102 12.753 12.858 4.419 1.00 0.00 N ATOM 1543 CA THR A 102 12.446 11.506 3.968 1.00 0.00 C ATOM 1544 C THR A 102 11.581 10.770 4.985 1.00 0.00 C ATOM 1545 O THR A 102 12.060 10.368 6.046 1.00 0.00 O ATOM 1546 CB THR A 102 13.730 10.692 3.718 1.00 0.00 C ATOM 1547 OG1 THR A 102 14.578 10.749 4.870 1.00 0.00 O ATOM 1548 CG2 THR A 102 14.478 11.222 2.504 1.00 0.00 C ATOM 0 H THR A 102 13.694 12.974 4.795 1.00 0.00 H new ATOM 0 HA THR A 102 11.898 11.602 3.031 1.00 0.00 H new ATOM 0 HB THR A 102 13.447 9.657 3.527 1.00 0.00 H new ATOM 0 HG1 THR A 102 14.032 10.691 5.682 1.00 0.00 H new ATOM 0 HG21 THR A 102 15.381 10.632 2.347 1.00 0.00 H new ATOM 0 HG22 THR A 102 13.840 11.150 1.623 1.00 0.00 H new ATOM 0 HG23 THR A 102 14.750 12.264 2.671 1.00 0.00 H new ATOM 1556 N ASP A 103 10.306 10.597 4.656 1.00 0.00 N ATOM 1557 CA ASP A 103 9.375 9.907 5.541 1.00 0.00 C ATOM 1558 C ASP A 103 9.360 8.409 5.253 1.00 0.00 C ATOM 1559 O ASP A 103 9.189 7.987 4.108 1.00 0.00 O ATOM 1560 CB ASP A 103 7.967 10.484 5.384 1.00 0.00 C ATOM 1561 CG ASP A 103 7.801 11.810 6.099 1.00 0.00 C ATOM 1562 OD1 ASP A 103 8.789 12.570 6.175 1.00 0.00 O ATOM 1563 OD2 ASP A 103 6.684 12.088 6.583 1.00 0.00 O ATOM 0 H ASP A 103 9.893 10.925 3.783 1.00 0.00 H new ATOM 0 HA ASP A 103 9.708 10.057 6.568 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.748 10.616 4.324 1.00 0.00 H new ATOM 0 HB3 ASP A 103 7.240 9.771 5.773 1.00 0.00 H new ATOM 1568 N LYS A 104 9.540 7.609 6.298 1.00 0.00 N ATOM 1569 CA LYS A 104 9.547 6.158 6.159 1.00 0.00 C ATOM 1570 C LYS A 104 8.174 5.574 6.475 1.00 0.00 C ATOM 1571 O LYS A 104 7.521 5.983 7.435 1.00 0.00 O ATOM 1572 CB LYS A 104 10.600 5.541 7.083 1.00 0.00 C ATOM 1573 CG LYS A 104 11.974 5.425 6.446 1.00 0.00 C ATOM 1574 CD LYS A 104 13.045 5.124 7.482 1.00 0.00 C ATOM 1575 CE LYS A 104 14.439 5.190 6.878 1.00 0.00 C ATOM 1576 NZ LYS A 104 15.478 4.699 7.825 1.00 0.00 N ATOM 0 H LYS A 104 9.683 7.942 7.252 1.00 0.00 H new ATOM 0 HA LYS A 104 9.795 5.919 5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.677 6.145 7.987 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.266 4.550 7.390 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.962 4.636 5.694 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.216 6.354 5.930 1.00 0.00 H new ATOM 0 HD2 LYS A 104 12.969 5.837 8.303 1.00 0.00 H new ATOM 0 HD3 LYS A 104 12.877 4.133 7.904 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.468 4.594 5.966 1.00 0.00 H new ATOM 0 HE3 LYS A 104 14.663 6.218 6.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.414 4.760 7.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.468 5.284 8.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.279 3.710 8.077 1.00 0.00 H new ATOM 1590 N ALA A 105 7.742 4.615 5.663 1.00 0.00 N ATOM 1591 CA ALA A 105 6.448 3.973 5.858 1.00 0.00 C ATOM 1592 C ALA A 105 6.561 2.458 5.725 1.00 0.00 C ATOM 1593 O ALA A 105 6.877 1.940 4.653 1.00 0.00 O ATOM 1594 CB ALA A 105 5.433 4.518 4.865 1.00 0.00 C ATOM 0 H ALA A 105 8.270 4.265 4.863 1.00 0.00 H new ATOM 0 HA ALA A 105 6.107 4.198 6.869 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.471 4.029 5.022 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.322 5.593 5.011 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.777 4.323 3.849 1.00 0.00 H new ATOM 1600 N THR A 106 6.301 1.751 6.820 1.00 0.00 N ATOM 1601 CA THR A 106 6.375 0.295 6.825 1.00 0.00 C ATOM 1602 C THR A 106 5.260 -0.315 5.983 1.00 0.00 C ATOM 1603 O THR A 106 4.099 0.078 6.094 1.00 0.00 O ATOM 1604 CB THR A 106 6.288 -0.266 8.257 1.00 0.00 C ATOM 1605 OG1 THR A 106 7.307 0.319 9.075 1.00 0.00 O ATOM 1606 CG2 THR A 106 6.439 -1.780 8.254 1.00 0.00 C ATOM 0 H THR A 106 6.037 2.163 7.715 1.00 0.00 H new ATOM 0 HA THR A 106 7.340 0.025 6.395 1.00 0.00 H new ATOM 0 HB THR A 106 5.308 -0.015 8.664 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.244 -0.042 9.984 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.374 -2.154 9.276 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.644 -2.224 7.654 1.00 0.00 H new ATOM 0 HG23 THR A 106 7.407 -2.048 7.830 1.00 0.00 H new ATOM 1614 N VAL A 107 5.621 -1.279 5.142 1.00 0.00 N ATOM 1615 CA VAL A 107 4.650 -1.946 4.282 1.00 0.00 C ATOM 1616 C VAL A 107 4.575 -3.437 4.591 1.00 0.00 C ATOM 1617 O VAL A 107 5.500 -4.192 4.289 1.00 0.00 O ATOM 1618 CB VAL A 107 4.997 -1.758 2.793 1.00 0.00 C ATOM 1619 CG1 VAL A 107 4.017 -2.522 1.916 1.00 0.00 C ATOM 1620 CG2 VAL A 107 5.008 -0.280 2.432 1.00 0.00 C ATOM 0 H VAL A 107 6.578 -1.616 5.038 1.00 0.00 H new ATOM 0 HA VAL A 107 3.682 -1.487 4.483 1.00 0.00 H new ATOM 0 HB VAL A 107 5.995 -2.160 2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.278 -2.377 0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 107 4.063 -3.584 2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.007 -2.153 2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.255 -0.165 1.377 1.00 0.00 H new ATOM 0 HG22 VAL A 107 4.024 0.149 2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.753 0.237 3.037 1.00 0.00 H new ATOM 1630 N VAL A 108 3.467 -3.856 5.194 1.00 0.00 N ATOM 1631 CA VAL A 108 3.270 -5.258 5.543 1.00 0.00 C ATOM 1632 C VAL A 108 2.320 -5.939 4.564 1.00 0.00 C ATOM 1633 O VAL A 108 1.144 -5.585 4.476 1.00 0.00 O ATOM 1634 CB VAL A 108 2.713 -5.408 6.971 1.00 0.00 C ATOM 1635 CG1 VAL A 108 2.638 -6.876 7.364 1.00 0.00 C ATOM 1636 CG2 VAL A 108 3.564 -4.626 7.960 1.00 0.00 C ATOM 0 H VAL A 108 2.692 -3.245 5.451 1.00 0.00 H new ATOM 0 HA VAL A 108 4.247 -5.738 5.490 1.00 0.00 H new ATOM 0 HB VAL A 108 1.703 -4.999 6.993 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.242 -6.962 8.376 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.983 -7.405 6.672 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.635 -7.314 7.326 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.156 -4.743 8.964 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.587 -5.003 7.938 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.560 -3.570 7.688 1.00 0.00 H new ATOM 1646 N LEU A 109 2.838 -6.918 3.831 1.00 0.00 N ATOM 1647 CA LEU A 109 2.036 -7.651 2.857 1.00 0.00 C ATOM 1648 C LEU A 109 1.833 -9.098 3.297 1.00 0.00 C ATOM 1649 O LEU A 109 2.715 -9.938 3.127 1.00 0.00 O ATOM 1650 CB LEU A 109 2.706 -7.614 1.483 1.00 0.00 C ATOM 1651 CG LEU A 109 3.010 -6.224 0.922 1.00 0.00 C ATOM 1652 CD1 LEU A 109 3.780 -6.332 -0.385 1.00 0.00 C ATOM 1653 CD2 LEU A 109 1.723 -5.437 0.721 1.00 0.00 C ATOM 0 H LEU A 109 3.809 -7.223 3.892 1.00 0.00 H new ATOM 0 HA LEU A 109 1.060 -7.170 2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.640 -8.173 1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.065 -8.138 0.774 1.00 0.00 H new ATOM 0 HG LEU A 109 3.630 -5.691 1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.987 -5.333 -0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.720 -6.856 -0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.186 -6.884 -1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.958 -4.451 0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.078 -5.968 0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.210 -5.328 1.677 1.00 0.00 H new ATOM 1665 N ASN A 110 0.663 -9.380 3.862 1.00 0.00 N ATOM 1666 CA ASN A 110 0.344 -10.726 4.325 1.00 0.00 C ATOM 1667 C ASN A 110 0.074 -11.657 3.147 1.00 0.00 C ATOM 1668 O ASN A 110 -0.970 -11.569 2.500 1.00 0.00 O ATOM 1669 CB ASN A 110 -0.873 -10.693 5.252 1.00 0.00 C ATOM 1670 CG ASN A 110 -0.533 -10.167 6.633 1.00 0.00 C ATOM 1671 OD1 ASN A 110 0.006 -10.891 7.470 1.00 0.00 O ATOM 1672 ND2 ASN A 110 -0.849 -8.900 6.878 1.00 0.00 N ATOM 0 H ASN A 110 -0.079 -8.696 4.010 1.00 0.00 H new ATOM 0 HA ASN A 110 1.203 -11.107 4.877 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.648 -10.067 4.808 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.287 -11.698 5.340 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -0.646 -8.491 7.790 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -1.295 -8.336 6.154 1.00 0.00 H new ATOM 1679 N ILE A 111 1.022 -12.548 2.875 1.00 0.00 N ATOM 1680 CA ILE A 111 0.886 -13.496 1.776 1.00 0.00 C ATOM 1681 C ILE A 111 -0.351 -14.370 1.954 1.00 0.00 C ATOM 1682 O ILE A 111 -0.454 -15.130 2.917 1.00 0.00 O ATOM 1683 CB ILE A 111 2.127 -14.400 1.656 1.00 0.00 C ATOM 1684 CG1 ILE A 111 3.387 -13.552 1.477 1.00 0.00 C ATOM 1685 CG2 ILE A 111 1.965 -15.370 0.495 1.00 0.00 C ATOM 1686 CD1 ILE A 111 3.469 -12.868 0.130 1.00 0.00 C ATOM 0 H ILE A 111 1.892 -12.633 3.400 1.00 0.00 H new ATOM 0 HA ILE A 111 0.785 -12.909 0.863 1.00 0.00 H new ATOM 0 HB ILE A 111 2.228 -14.977 2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 111 3.421 -12.796 2.262 1.00 0.00 H new ATOM 0 HG13 ILE A 111 4.264 -14.186 1.607 1.00 0.00 H new ATOM 0 HG21 ILE A 111 2.850 -16.002 0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 111 1.086 -15.993 0.661 1.00 0.00 H new ATOM 0 HG23 ILE A 111 1.842 -14.810 -0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 111 4.388 -12.284 0.074 1.00 0.00 H new ATOM 0 HD12 ILE A 111 3.467 -13.619 -0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 111 2.611 -12.207 0.005 1.00 0.00 H new ATOM 1698 N LYS A 112 -1.287 -14.258 1.018 1.00 0.00 N ATOM 1699 CA LYS A 112 -2.517 -15.040 1.069 1.00 0.00 C ATOM 1700 C LYS A 112 -2.376 -16.329 0.265 1.00 0.00 C ATOM 1701 O LYS A 112 -1.498 -16.445 -0.590 1.00 0.00 O ATOM 1702 CB LYS A 112 -3.691 -14.218 0.532 1.00 0.00 C ATOM 1703 CG LYS A 112 -3.972 -12.961 1.337 1.00 0.00 C ATOM 1704 CD LYS A 112 -4.536 -13.292 2.708 1.00 0.00 C ATOM 1705 CE LYS A 112 -6.046 -13.471 2.661 1.00 0.00 C ATOM 1706 NZ LYS A 112 -6.428 -14.884 2.387 1.00 0.00 N ATOM 0 H LYS A 112 -1.218 -13.633 0.215 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.709 -15.300 2.110 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.486 -13.939 -0.502 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.585 -14.841 0.522 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.052 -12.387 1.450 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.677 -12.331 0.795 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -4.072 -14.204 3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -4.285 -12.495 3.408 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.479 -13.155 3.610 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.465 -12.825 1.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -6.558 -15.016 1.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -5.677 -15.519 2.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -7.316 -15.105 2.881 1.00 0.00 H new ATOM 1720 N ASP A 113 -3.246 -17.293 0.545 1.00 0.00 N ATOM 1721 CA ASP A 113 -3.219 -18.573 -0.154 1.00 0.00 C ATOM 1722 C ASP A 113 -4.245 -18.597 -1.283 1.00 0.00 C ATOM 1723 O ASP A 113 -5.451 -18.623 -1.037 1.00 0.00 O ATOM 1724 CB ASP A 113 -3.490 -19.717 0.823 1.00 0.00 C ATOM 1725 CG ASP A 113 -2.280 -20.051 1.674 1.00 0.00 C ATOM 1726 OD1 ASP A 113 -1.145 -19.879 1.183 1.00 0.00 O ATOM 1727 OD2 ASP A 113 -2.469 -20.485 2.830 1.00 0.00 O ATOM 0 H ASP A 113 -3.978 -17.213 1.251 1.00 0.00 H new ATOM 0 HA ASP A 113 -2.227 -18.703 -0.586 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.323 -19.447 1.472 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -3.794 -20.603 0.265 1.00 0.00 H new ATOM 1732 N GLU A 114 -3.758 -18.587 -2.519 1.00 0.00 N ATOM 1733 CA GLU A 114 -4.634 -18.606 -3.685 1.00 0.00 C ATOM 1734 C GLU A 114 -4.673 -19.996 -4.313 1.00 0.00 C ATOM 1735 O GLU A 114 -5.743 -20.514 -4.632 1.00 0.00 O ATOM 1736 CB GLU A 114 -4.166 -17.580 -4.719 1.00 0.00 C ATOM 1737 CG GLU A 114 -4.898 -17.676 -6.047 1.00 0.00 C ATOM 1738 CD GLU A 114 -6.144 -16.813 -6.091 1.00 0.00 C ATOM 1739 OE1 GLU A 114 -6.032 -15.598 -5.823 1.00 0.00 O ATOM 1740 OE2 GLU A 114 -7.229 -17.352 -6.391 1.00 0.00 O ATOM 0 H GLU A 114 -2.762 -18.566 -2.739 1.00 0.00 H new ATOM 0 HA GLU A 114 -5.640 -18.346 -3.356 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -4.301 -16.578 -4.311 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -3.098 -17.712 -4.892 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.225 -17.377 -6.851 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -5.173 -18.714 -6.231 1.00 0.00 H new ATOM 1747 N ASN A 115 -3.499 -20.593 -4.489 1.00 0.00 N ATOM 1748 CA ASN A 115 -3.399 -21.922 -5.080 1.00 0.00 C ATOM 1749 C ASN A 115 -3.441 -23.002 -4.002 1.00 0.00 C ATOM 1750 O ASN A 115 -4.253 -23.925 -4.066 1.00 0.00 O ATOM 1751 CB ASN A 115 -2.107 -22.046 -5.891 1.00 0.00 C ATOM 1752 CG ASN A 115 -1.853 -23.466 -6.361 1.00 0.00 C ATOM 1753 OD1 ASN A 115 -2.032 -23.783 -7.537 1.00 0.00 O ATOM 1754 ND2 ASN A 115 -1.434 -24.327 -5.441 1.00 0.00 N ATOM 0 H ASN A 115 -2.604 -20.178 -4.231 1.00 0.00 H new ATOM 0 HA ASN A 115 -4.252 -22.062 -5.743 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -2.159 -21.384 -6.755 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.266 -21.711 -5.283 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -1.247 -25.296 -5.697 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -1.300 -24.019 -4.478 1.00 0.00 H new ATOM 1761 N ASP A 116 -2.562 -22.878 -3.015 1.00 0.00 N ATOM 1762 CA ASP A 116 -2.499 -23.842 -1.922 1.00 0.00 C ATOM 1763 C ASP A 116 -3.782 -23.811 -1.096 1.00 0.00 C ATOM 1764 O ASP A 116 -4.394 -22.758 -0.922 1.00 0.00 O ATOM 1765 CB ASP A 116 -1.294 -23.552 -1.026 1.00 0.00 C ATOM 1766 CG ASP A 116 -1.085 -24.622 0.028 1.00 0.00 C ATOM 1767 OD1 ASP A 116 -0.735 -25.761 -0.345 1.00 0.00 O ATOM 1768 OD2 ASP A 116 -1.271 -24.319 1.225 1.00 0.00 O ATOM 0 H ASP A 116 -1.883 -22.120 -2.948 1.00 0.00 H new ATOM 0 HA ASP A 116 -2.389 -24.837 -2.354 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -0.398 -23.473 -1.642 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.432 -22.587 -0.538 1.00 0.00 H new ATOM 1773 N ASN A 117 -4.183 -24.973 -0.590 1.00 0.00 N ATOM 1774 CA ASN A 117 -5.393 -25.079 0.216 1.00 0.00 C ATOM 1775 C ASN A 117 -5.126 -25.860 1.499 1.00 0.00 C ATOM 1776 O ASN A 117 -4.495 -26.916 1.475 1.00 0.00 O ATOM 1777 CB ASN A 117 -6.506 -25.757 -0.585 1.00 0.00 C ATOM 1778 CG ASN A 117 -7.665 -26.193 0.290 1.00 0.00 C ATOM 1779 OD1 ASN A 117 -7.659 -27.290 0.848 1.00 0.00 O ATOM 1780 ND2 ASN A 117 -8.669 -25.332 0.415 1.00 0.00 N ATOM 0 H ASN A 117 -3.687 -25.854 -0.724 1.00 0.00 H new ATOM 0 HA ASN A 117 -5.710 -24.071 0.485 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -6.870 -25.070 -1.349 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -6.099 -26.625 -1.104 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -9.476 -25.570 0.991 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -8.633 -24.433 -0.065 1.00 0.00 H new ATOM 1787 N VAL A 118 -5.611 -25.332 2.618 1.00 0.00 N ATOM 1788 CA VAL A 118 -5.427 -25.980 3.911 1.00 0.00 C ATOM 1789 C VAL A 118 -6.302 -27.222 4.033 1.00 0.00 C ATOM 1790 O VAL A 118 -7.517 -27.178 3.838 1.00 0.00 O ATOM 1791 CB VAL A 118 -5.752 -25.020 5.071 1.00 0.00 C ATOM 1792 CG1 VAL A 118 -5.605 -25.730 6.409 1.00 0.00 C ATOM 1793 CG2 VAL A 118 -4.859 -23.790 5.010 1.00 0.00 C ATOM 0 H VAL A 118 -6.134 -24.457 2.655 1.00 0.00 H new ATOM 0 HA VAL A 118 -4.378 -26.271 3.973 1.00 0.00 H new ATOM 0 HB VAL A 118 -6.787 -24.695 4.971 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -5.839 -25.036 7.217 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -6.290 -26.577 6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -4.581 -26.086 6.521 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -5.102 -23.123 5.837 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -3.815 -24.094 5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -5.019 -23.271 4.065 1.00 0.00 H new ATOM 1803 N PRO A 119 -5.672 -28.359 4.365 1.00 0.00 N ATOM 1804 CA PRO A 119 -6.375 -29.636 4.523 1.00 0.00 C ATOM 1805 C PRO A 119 -7.271 -29.657 5.756 1.00 0.00 C ATOM 1806 O PRO A 119 -8.485 -29.481 5.656 1.00 0.00 O ATOM 1807 CB PRO A 119 -5.238 -30.651 4.670 1.00 0.00 C ATOM 1808 CG PRO A 119 -4.093 -29.862 5.206 1.00 0.00 C ATOM 1809 CD PRO A 119 -4.226 -28.486 4.614 1.00 0.00 C ATOM 0 HA PRO A 119 -7.042 -29.840 3.685 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -5.514 -31.459 5.348 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -4.990 -31.109 3.712 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -4.122 -29.823 6.295 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -3.142 -30.316 4.928 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -3.867 -27.718 5.299 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -3.650 -28.387 3.694 1.00 0.00 H new TER 1817 PRO A 119