USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 825 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 38 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.468 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= -0.0604 USER MOD Single : A 12 TYR OH : rot -43:sc= 1.25 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= 0.188 X(o=0.19,f=-0.23) USER MOD Single : A 18 LYS NZ :NH3+ 166:sc= 0.151 (180deg=0.105) USER MOD Single : A 20 ASN : amide:sc= -0.0723 X(o=-0.072,f=-0.062) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0436 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0589 USER MOD Single : A 34 THR OG1 : rot 65:sc= 1.27 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -150:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0211 X(o=-0.021,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.51) USER MOD Single : A 59 THR OG1 : rot 68:sc= 1.16 USER MOD Single : A 61 SER OG : rot 1:sc= 0.21 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 137:sc= -2.77! USER MOD Single : A 79 CYS SG : rot 180:sc= -0.269 USER MOD Single : A 85 THR OG1 : rot 72:sc= 1.23 USER MOD Single : A 91 GLN : amide:sc= -0.218 X(o=-0.22,f=0) USER MOD Single : A 104 GLN : amide:sc= -0.673 X(o=-0.67,f=-0.74) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.294 19.693 1.988 1.00 0.00 N ATOM 2 CA GLY A 1 11.131 20.026 0.830 1.00 0.00 C ATOM 3 C GLY A 1 12.468 20.544 1.317 1.00 0.00 C ATOM 4 O GLY A 1 12.749 21.746 1.222 1.00 0.00 O ATOM 0 H1 GLY A 1 10.071 18.677 1.975 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.805 19.924 2.864 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.411 20.242 1.948 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.274 19.145 0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.638 20.778 0.214 1.00 0.00 H new ATOM 8 N MET A 2 13.265 19.631 1.877 1.00 0.00 N ATOM 9 CA MET A 2 14.637 19.836 2.301 1.00 0.00 C ATOM 10 C MET A 2 15.406 18.603 1.823 1.00 0.00 C ATOM 11 O MET A 2 15.812 17.749 2.618 1.00 0.00 O ATOM 12 CB MET A 2 14.758 20.074 3.823 1.00 0.00 C ATOM 13 CG MET A 2 13.816 21.150 4.382 1.00 0.00 C ATOM 14 SD MET A 2 12.145 20.572 4.801 1.00 0.00 S ATOM 15 CE MET A 2 12.497 19.896 6.449 1.00 0.00 C ATOM 0 H MET A 2 12.945 18.679 2.053 1.00 0.00 H new ATOM 0 HA MET A 2 15.055 20.744 1.866 1.00 0.00 H new ATOM 0 HB2 MET A 2 14.562 19.135 4.340 1.00 0.00 H new ATOM 0 HB3 MET A 2 15.786 20.356 4.052 1.00 0.00 H new ATOM 0 HG2 MET A 2 14.270 21.579 5.276 1.00 0.00 H new ATOM 0 HG3 MET A 2 13.733 21.953 3.650 1.00 0.00 H new ATOM 0 HE1 MET A 2 11.582 19.488 6.878 1.00 0.00 H new ATOM 0 HE2 MET A 2 13.243 19.106 6.366 1.00 0.00 H new ATOM 0 HE3 MET A 2 12.878 20.688 7.094 1.00 0.00 H new ATOM 25 N SER A 3 15.556 18.510 0.500 1.00 0.00 N ATOM 26 CA SER A 3 16.434 17.578 -0.191 1.00 0.00 C ATOM 27 C SER A 3 16.180 16.117 0.226 1.00 0.00 C ATOM 28 O SER A 3 17.135 15.378 0.471 1.00 0.00 O ATOM 29 CB SER A 3 17.871 18.082 0.049 1.00 0.00 C ATOM 30 OG SER A 3 18.726 17.864 -1.056 1.00 0.00 O ATOM 0 H SER A 3 15.043 19.112 -0.144 1.00 0.00 H new ATOM 0 HA SER A 3 16.239 17.555 -1.263 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.843 19.148 0.275 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.284 17.582 0.925 1.00 0.00 H new ATOM 0 HG SER A 3 19.622 18.204 -0.849 1.00 0.00 H new ATOM 36 N ALA A 4 14.914 15.694 0.331 1.00 0.00 N ATOM 37 CA ALA A 4 14.525 14.392 0.866 1.00 0.00 C ATOM 38 C ALA A 4 13.438 13.761 -0.004 1.00 0.00 C ATOM 39 O ALA A 4 12.239 13.975 0.203 1.00 0.00 O ATOM 40 CB ALA A 4 14.076 14.531 2.323 1.00 0.00 C ATOM 0 H ALA A 4 14.119 16.262 0.039 1.00 0.00 H new ATOM 0 HA ALA A 4 15.388 13.726 0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 4 13.789 13.553 2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 4 14.896 14.931 2.920 1.00 0.00 H new ATOM 0 HB3 ALA A 4 13.223 15.208 2.378 1.00 0.00 H new ATOM 46 N ASP A 5 13.856 12.970 -0.985 1.00 0.00 N ATOM 47 CA ASP A 5 12.972 12.154 -1.801 1.00 0.00 C ATOM 48 C ASP A 5 12.298 11.082 -0.933 1.00 0.00 C ATOM 49 O ASP A 5 12.908 10.071 -0.569 1.00 0.00 O ATOM 50 CB ASP A 5 13.739 11.551 -2.996 1.00 0.00 C ATOM 51 CG ASP A 5 13.248 12.147 -4.311 1.00 0.00 C ATOM 52 OD1 ASP A 5 12.042 12.025 -4.621 1.00 0.00 O ATOM 53 OD2 ASP A 5 14.043 12.734 -5.077 1.00 0.00 O ATOM 0 H ASP A 5 14.840 12.878 -1.239 1.00 0.00 H new ATOM 0 HA ASP A 5 12.183 12.779 -2.218 1.00 0.00 H new ATOM 0 HB2 ASP A 5 14.806 11.740 -2.882 1.00 0.00 H new ATOM 0 HB3 ASP A 5 13.607 10.469 -3.010 1.00 0.00 H new ATOM 58 N GLY A 6 11.026 11.287 -0.579 1.00 0.00 N ATOM 59 CA GLY A 6 10.220 10.263 0.070 1.00 0.00 C ATOM 60 C GLY A 6 10.351 10.291 1.589 1.00 0.00 C ATOM 61 O GLY A 6 11.088 9.500 2.174 1.00 0.00 O ATOM 0 H GLY A 6 10.533 12.166 -0.736 1.00 0.00 H new ATOM 0 HA2 GLY A 6 9.174 10.401 -0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 6 10.519 9.282 -0.299 1.00 0.00 H new ATOM 65 N SER A 7 9.596 11.167 2.249 1.00 0.00 N ATOM 66 CA SER A 7 9.263 11.040 3.672 1.00 0.00 C ATOM 67 C SER A 7 7.779 11.359 3.930 1.00 0.00 C ATOM 68 O SER A 7 7.325 11.422 5.071 1.00 0.00 O ATOM 69 CB SER A 7 10.201 11.930 4.486 1.00 0.00 C ATOM 70 OG SER A 7 11.550 11.525 4.298 1.00 0.00 O ATOM 0 H SER A 7 9.193 11.994 1.809 1.00 0.00 H new ATOM 0 HA SER A 7 9.408 10.007 3.990 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.081 12.970 4.183 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.941 11.874 5.543 1.00 0.00 H new ATOM 0 HG SER A 7 12.141 12.104 4.823 1.00 0.00 H new ATOM 76 N GLU A 8 7.008 11.553 2.863 1.00 0.00 N ATOM 77 CA GLU A 8 5.625 12.010 2.838 1.00 0.00 C ATOM 78 C GLU A 8 4.608 10.892 3.076 1.00 0.00 C ATOM 79 O GLU A 8 3.421 11.172 3.207 1.00 0.00 O ATOM 80 CB GLU A 8 5.393 12.624 1.447 1.00 0.00 C ATOM 81 CG GLU A 8 5.830 14.088 1.400 1.00 0.00 C ATOM 82 CD GLU A 8 7.310 14.383 1.672 1.00 0.00 C ATOM 83 OE1 GLU A 8 8.218 13.605 1.279 1.00 0.00 O ATOM 84 OE2 GLU A 8 7.558 15.468 2.250 1.00 0.00 O ATOM 0 H GLU A 8 7.363 11.381 1.922 1.00 0.00 H new ATOM 0 HA GLU A 8 5.477 12.724 3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.946 12.054 0.700 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.337 12.550 1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.581 14.484 0.415 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.235 14.642 2.126 1.00 0.00 H new ATOM 91 N TYR A 9 5.045 9.634 3.127 1.00 0.00 N ATOM 92 CA TYR A 9 4.163 8.476 3.101 1.00 0.00 C ATOM 93 C TYR A 9 3.187 8.547 4.272 1.00 0.00 C ATOM 94 O TYR A 9 1.981 8.407 4.084 1.00 0.00 O ATOM 95 CB TYR A 9 5.009 7.190 3.137 1.00 0.00 C ATOM 96 CG TYR A 9 6.206 7.182 2.200 1.00 0.00 C ATOM 97 CD1 TYR A 9 6.018 7.200 0.807 1.00 0.00 C ATOM 98 CD2 TYR A 9 7.512 7.135 2.722 1.00 0.00 C ATOM 99 CE1 TYR A 9 7.121 7.182 -0.066 1.00 0.00 C ATOM 100 CE2 TYR A 9 8.620 7.076 1.860 1.00 0.00 C ATOM 101 CZ TYR A 9 8.432 7.101 0.458 1.00 0.00 C ATOM 102 OH TYR A 9 9.487 7.019 -0.398 1.00 0.00 O ATOM 0 H TYR A 9 6.034 9.391 3.188 1.00 0.00 H new ATOM 0 HA TYR A 9 3.577 8.468 2.182 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.363 7.035 4.156 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.368 6.344 2.890 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.017 7.228 0.403 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.663 7.144 3.791 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.967 7.230 -1.134 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.618 7.011 2.269 1.00 0.00 H new ATOM 0 HH TYR A 9 10.321 6.971 0.114 1.00 0.00 H new ATOM 112 N GLY A 10 3.689 8.840 5.469 1.00 0.00 N ATOM 113 CA GLY A 10 2.902 8.871 6.686 1.00 0.00 C ATOM 114 C GLY A 10 2.072 10.139 6.847 1.00 0.00 C ATOM 115 O GLY A 10 1.349 10.263 7.836 1.00 0.00 O ATOM 0 H GLY A 10 4.673 9.066 5.617 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.237 8.008 6.700 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.569 8.773 7.542 1.00 0.00 H new ATOM 119 N ARG A 11 2.133 11.093 5.908 1.00 0.00 N ATOM 120 CA ARG A 11 1.122 12.141 5.847 1.00 0.00 C ATOM 121 C ARG A 11 -0.184 11.571 5.308 1.00 0.00 C ATOM 122 O ARG A 11 -1.252 12.093 5.607 1.00 0.00 O ATOM 123 CB ARG A 11 1.577 13.303 4.955 1.00 0.00 C ATOM 124 CG ARG A 11 2.978 13.792 5.300 1.00 0.00 C ATOM 125 CD ARG A 11 3.281 15.182 4.754 1.00 0.00 C ATOM 126 NE ARG A 11 4.623 15.601 5.196 1.00 0.00 N ATOM 127 CZ ARG A 11 4.962 16.842 5.558 1.00 0.00 C ATOM 128 NH1 ARG A 11 4.115 17.851 5.392 1.00 0.00 N ATOM 129 NH2 ARG A 11 6.146 17.052 6.116 1.00 0.00 N ATOM 0 H ARG A 11 2.860 11.156 5.195 1.00 0.00 H new ATOM 0 HA ARG A 11 0.971 12.521 6.858 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.553 12.987 3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.873 14.129 5.054 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.096 13.801 6.384 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.709 13.087 4.905 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.230 15.176 3.665 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.533 15.893 5.104 1.00 0.00 H new ATOM 0 HE ARG A 11 5.351 14.887 5.228 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.195 17.683 4.985 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.384 18.794 5.672 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.786 16.271 6.264 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.417 17.994 6.397 1.00 0.00 H new ATOM 143 N TYR A 12 -0.090 10.537 4.474 1.00 0.00 N ATOM 144 CA TYR A 12 -1.192 10.019 3.688 1.00 0.00 C ATOM 145 C TYR A 12 -1.665 8.693 4.250 1.00 0.00 C ATOM 146 O TYR A 12 -2.863 8.439 4.271 1.00 0.00 O ATOM 147 CB TYR A 12 -0.718 9.787 2.254 1.00 0.00 C ATOM 148 CG TYR A 12 0.002 10.915 1.555 1.00 0.00 C ATOM 149 CD1 TYR A 12 -0.138 12.271 1.897 1.00 0.00 C ATOM 150 CD2 TYR A 12 0.843 10.566 0.507 1.00 0.00 C ATOM 151 CE1 TYR A 12 0.559 13.256 1.180 1.00 0.00 C ATOM 152 CE2 TYR A 12 1.498 11.539 -0.259 1.00 0.00 C ATOM 153 CZ TYR A 12 1.348 12.906 0.066 1.00 0.00 C ATOM 154 OH TYR A 12 1.907 13.884 -0.695 1.00 0.00 O ATOM 0 H TYR A 12 0.781 10.027 4.327 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.009 10.740 3.715 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.057 8.920 2.257 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.588 9.523 1.653 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.784 12.556 2.714 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.996 9.522 0.277 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.490 14.290 1.484 1.00 0.00 H new ATOM 0 HE2 TYR A 12 2.115 11.245 -1.095 1.00 0.00 H new ATOM 0 HH TYR A 12 1.250 14.595 -0.848 1.00 0.00 H new ATOM 164 N PHE A 13 -0.735 7.829 4.645 1.00 0.00 N ATOM 165 CA PHE A 13 -1.001 6.525 5.199 1.00 0.00 C ATOM 166 C PHE A 13 -0.907 6.677 6.709 1.00 0.00 C ATOM 167 O PHE A 13 0.142 7.024 7.254 1.00 0.00 O ATOM 168 CB PHE A 13 0.013 5.513 4.656 1.00 0.00 C ATOM 169 CG PHE A 13 0.119 5.468 3.139 1.00 0.00 C ATOM 170 CD1 PHE A 13 -1.010 5.162 2.362 1.00 0.00 C ATOM 171 CD2 PHE A 13 1.344 5.728 2.497 1.00 0.00 C ATOM 172 CE1 PHE A 13 -0.917 5.118 0.960 1.00 0.00 C ATOM 173 CE2 PHE A 13 1.435 5.710 1.093 1.00 0.00 C ATOM 174 CZ PHE A 13 0.298 5.410 0.325 1.00 0.00 C ATOM 0 H PHE A 13 0.262 8.036 4.581 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.987 6.152 4.923 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.995 5.747 5.068 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.256 4.520 5.017 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.955 4.959 2.844 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.222 5.943 3.087 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.784 4.859 0.371 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.375 5.926 0.608 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.360 5.404 -0.753 1.00 0.00 H new ATOM 184 N GLU A 14 -2.019 6.452 7.384 1.00 0.00 N ATOM 185 CA GLU A 14 -2.073 6.423 8.832 1.00 0.00 C ATOM 186 C GLU A 14 -1.938 4.973 9.296 1.00 0.00 C ATOM 187 O GLU A 14 -2.331 4.049 8.590 1.00 0.00 O ATOM 188 CB GLU A 14 -3.377 7.071 9.288 1.00 0.00 C ATOM 189 CG GLU A 14 -3.440 7.208 10.801 1.00 0.00 C ATOM 190 CD GLU A 14 -4.628 8.055 11.240 1.00 0.00 C ATOM 191 OE1 GLU A 14 -5.738 7.475 11.332 1.00 0.00 O ATOM 192 OE2 GLU A 14 -4.406 9.233 11.603 1.00 0.00 O ATOM 0 H GLU A 14 -2.920 6.282 6.936 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.255 6.989 9.277 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.474 8.055 8.830 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.220 6.474 8.942 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.511 6.219 11.254 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.517 7.659 11.165 1.00 0.00 H new ATOM 199 N GLN A 15 -1.448 4.786 10.519 1.00 0.00 N ATOM 200 CA GLN A 15 -1.169 3.503 11.172 1.00 0.00 C ATOM 201 C GLN A 15 -2.348 2.533 11.170 1.00 0.00 C ATOM 202 O GLN A 15 -2.119 1.339 11.287 1.00 0.00 O ATOM 203 CB GLN A 15 -0.745 3.835 12.610 1.00 0.00 C ATOM 204 CG GLN A 15 -0.361 2.645 13.500 1.00 0.00 C ATOM 205 CD GLN A 15 -0.024 3.121 14.910 1.00 0.00 C ATOM 206 OE1 GLN A 15 0.890 3.920 15.104 1.00 0.00 O ATOM 207 NE2 GLN A 15 -0.701 2.625 15.938 1.00 0.00 N ATOM 0 H GLN A 15 -1.219 5.576 11.122 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.389 2.985 10.615 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.104 4.517 12.567 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.562 4.372 13.092 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.183 1.931 13.538 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.495 2.124 13.071 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.459 1.962 15.777 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.463 2.907 16.889 1.00 0.00 H new ATOM 216 N LEU A 16 -3.575 3.029 11.056 1.00 0.00 N ATOM 217 CA LEU A 16 -4.814 2.275 11.190 1.00 0.00 C ATOM 218 C LEU A 16 -5.756 2.531 10.006 1.00 0.00 C ATOM 219 O LEU A 16 -6.930 2.162 10.062 1.00 0.00 O ATOM 220 CB LEU A 16 -5.497 2.672 12.520 1.00 0.00 C ATOM 221 CG LEU A 16 -4.622 2.530 13.783 1.00 0.00 C ATOM 222 CD1 LEU A 16 -5.359 3.044 15.019 1.00 0.00 C ATOM 223 CD2 LEU A 16 -4.203 1.079 14.006 1.00 0.00 C ATOM 0 H LEU A 16 -3.740 4.016 10.858 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.582 1.210 11.194 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.829 3.707 12.443 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.390 2.060 12.647 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.727 3.133 13.626 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.721 2.933 15.896 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.608 4.096 14.883 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.275 2.470 15.162 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.588 1.012 14.903 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.091 0.458 14.128 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.631 0.729 13.147 1.00 0.00 H new ATOM 235 N GLN A 17 -5.294 3.223 8.958 1.00 0.00 N ATOM 236 CA GLN A 17 -6.050 3.394 7.717 1.00 0.00 C ATOM 237 C GLN A 17 -6.131 2.072 6.958 1.00 0.00 C ATOM 238 O GLN A 17 -5.506 1.085 7.326 1.00 0.00 O ATOM 239 CB GLN A 17 -5.377 4.475 6.846 1.00 0.00 C ATOM 240 CG GLN A 17 -6.096 5.829 6.861 1.00 0.00 C ATOM 241 CD GLN A 17 -5.297 6.901 6.133 1.00 0.00 C ATOM 242 OE1 GLN A 17 -5.123 8.000 6.624 1.00 0.00 O ATOM 243 NE2 GLN A 17 -4.752 6.594 4.970 1.00 0.00 N ATOM 0 H GLN A 17 -4.382 3.681 8.949 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.064 3.712 7.958 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.352 4.616 7.189 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.323 4.116 5.818 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.075 5.726 6.394 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.266 6.139 7.892 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.902 5.670 4.564 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.181 7.281 4.477 1.00 0.00 H new ATOM 252 N LYS A 18 -6.867 2.065 5.847 1.00 0.00 N ATOM 253 CA LYS A 18 -6.861 0.983 4.872 1.00 0.00 C ATOM 254 C LYS A 18 -6.282 1.506 3.574 1.00 0.00 C ATOM 255 O LYS A 18 -6.533 2.664 3.209 1.00 0.00 O ATOM 256 CB LYS A 18 -8.289 0.482 4.663 1.00 0.00 C ATOM 257 CG LYS A 18 -8.769 -0.342 5.859 1.00 0.00 C ATOM 258 CD LYS A 18 -10.294 -0.315 5.972 1.00 0.00 C ATOM 259 CE LYS A 18 -10.897 -1.184 4.858 1.00 0.00 C ATOM 260 NZ LYS A 18 -12.358 -1.347 4.956 1.00 0.00 N ATOM 0 H LYS A 18 -7.496 2.828 5.598 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.252 0.151 5.227 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.956 1.331 4.512 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.335 -0.125 3.759 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.427 -1.372 5.755 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.327 0.050 6.775 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.605 -0.686 6.948 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.659 0.709 5.889 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.654 -0.740 3.892 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.428 -2.168 4.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.725 -1.734 4.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.583 -1.999 5.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.799 -0.423 5.140 1.00 0.00 H new ATOM 274 N VAL A 19 -5.569 0.652 2.852 1.00 0.00 N ATOM 275 CA VAL A 19 -4.972 0.980 1.562 1.00 0.00 C ATOM 276 C VAL A 19 -5.348 -0.079 0.537 1.00 0.00 C ATOM 277 O VAL A 19 -5.586 -1.238 0.882 1.00 0.00 O ATOM 278 CB VAL A 19 -3.447 1.149 1.683 1.00 0.00 C ATOM 279 CG1 VAL A 19 -3.118 2.479 2.365 1.00 0.00 C ATOM 280 CG2 VAL A 19 -2.750 0.005 2.432 1.00 0.00 C ATOM 0 H VAL A 19 -5.385 -0.306 3.151 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.367 1.937 1.221 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.063 1.132 0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.037 2.589 2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.523 3.301 1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.560 2.496 3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.678 0.198 2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.147 -0.062 3.445 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.929 -0.934 1.909 1.00 0.00 H new ATOM 290 N ASN A 20 -5.371 0.340 -0.727 1.00 0.00 N ATOM 291 CA ASN A 20 -5.513 -0.550 -1.865 1.00 0.00 C ATOM 292 C ASN A 20 -4.253 -1.407 -2.022 1.00 0.00 C ATOM 293 O ASN A 20 -3.184 -0.974 -1.594 1.00 0.00 O ATOM 294 CB ASN A 20 -5.755 0.303 -3.120 1.00 0.00 C ATOM 295 CG ASN A 20 -6.324 -0.522 -4.252 1.00 0.00 C ATOM 296 OD1 ASN A 20 -5.911 -0.367 -5.395 1.00 0.00 O ATOM 297 ND2 ASN A 20 -7.257 -1.406 -3.968 1.00 0.00 N ATOM 0 H ASN A 20 -5.290 1.323 -0.987 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.357 -1.223 -1.715 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.440 1.116 -2.881 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.817 0.759 -3.437 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.655 -1.983 -4.709 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.582 -1.514 -3.007 1.00 0.00 H new ATOM 304 N LEU A 21 -4.345 -2.596 -2.636 1.00 0.00 N ATOM 305 CA LEU A 21 -3.348 -3.658 -2.420 1.00 0.00 C ATOM 306 C LEU A 21 -2.775 -4.273 -3.699 1.00 0.00 C ATOM 307 O LEU A 21 -2.302 -5.404 -3.664 1.00 0.00 O ATOM 308 CB LEU A 21 -3.940 -4.769 -1.529 1.00 0.00 C ATOM 309 CG LEU A 21 -4.273 -4.401 -0.078 1.00 0.00 C ATOM 310 CD1 LEU A 21 -4.609 -5.715 0.627 1.00 0.00 C ATOM 311 CD2 LEU A 21 -3.114 -3.739 0.677 1.00 0.00 C ATOM 0 H LEU A 21 -5.094 -2.846 -3.282 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.509 -3.168 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.852 -5.132 -2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.236 -5.601 -1.513 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.088 -3.678 -0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.856 -5.516 1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.461 -6.184 0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.750 -6.384 0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.427 -3.509 1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.262 -4.419 0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.827 -2.818 0.169 1.00 0.00 H new ATOM 323 N THR A 22 -2.836 -3.578 -4.828 1.00 0.00 N ATOM 324 CA THR A 22 -2.660 -4.128 -6.169 1.00 0.00 C ATOM 325 C THR A 22 -1.354 -4.942 -6.318 1.00 0.00 C ATOM 326 O THR A 22 -0.296 -4.344 -6.524 1.00 0.00 O ATOM 327 CB THR A 22 -2.654 -2.940 -7.156 1.00 0.00 C ATOM 328 OG1 THR A 22 -3.670 -2.006 -6.848 1.00 0.00 O ATOM 329 CG2 THR A 22 -2.768 -3.351 -8.620 1.00 0.00 C ATOM 0 H THR A 22 -3.017 -2.574 -4.836 1.00 0.00 H new ATOM 0 HA THR A 22 -3.475 -4.822 -6.374 1.00 0.00 H new ATOM 0 HB THR A 22 -1.676 -2.476 -7.029 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.639 -1.266 -7.489 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.757 -2.461 -9.250 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.928 -3.993 -8.884 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.701 -3.893 -8.774 1.00 0.00 H new ATOM 337 N VAL A 23 -1.382 -6.278 -6.235 1.00 0.00 N ATOM 338 CA VAL A 23 -0.199 -7.125 -6.447 1.00 0.00 C ATOM 339 C VAL A 23 -0.103 -7.441 -7.932 1.00 0.00 C ATOM 340 O VAL A 23 -1.108 -7.799 -8.547 1.00 0.00 O ATOM 341 CB VAL A 23 -0.250 -8.446 -5.642 1.00 0.00 C ATOM 342 CG1 VAL A 23 1.067 -9.225 -5.752 1.00 0.00 C ATOM 343 CG2 VAL A 23 -0.474 -8.238 -4.148 1.00 0.00 C ATOM 0 H VAL A 23 -2.228 -6.805 -6.018 1.00 0.00 H new ATOM 0 HA VAL A 23 0.675 -6.577 -6.095 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.088 -8.989 -6.079 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.994 -10.146 -5.174 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.261 -9.466 -6.797 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.883 -8.616 -5.363 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.499 -9.205 -3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.338 -7.637 -3.739 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.422 -7.723 -3.990 1.00 0.00 H new ATOM 353 N ARG A 24 1.091 -7.342 -8.511 1.00 0.00 N ATOM 354 CA ARG A 24 1.391 -7.866 -9.832 1.00 0.00 C ATOM 355 C ARG A 24 1.690 -9.360 -9.695 1.00 0.00 C ATOM 356 O ARG A 24 2.583 -9.715 -8.928 1.00 0.00 O ATOM 357 CB ARG A 24 2.598 -7.092 -10.378 1.00 0.00 C ATOM 358 CG ARG A 24 2.980 -7.607 -11.763 1.00 0.00 C ATOM 359 CD ARG A 24 4.189 -6.865 -12.322 1.00 0.00 C ATOM 360 NE ARG A 24 4.711 -7.592 -13.486 1.00 0.00 N ATOM 361 CZ ARG A 24 5.598 -8.594 -13.440 1.00 0.00 C ATOM 362 NH1 ARG A 24 6.281 -8.868 -12.332 1.00 0.00 N ATOM 363 NH2 ARG A 24 5.793 -9.304 -14.538 1.00 0.00 N ATOM 0 H ARG A 24 1.887 -6.887 -8.064 1.00 0.00 H new ATOM 0 HA ARG A 24 0.557 -7.746 -10.524 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.362 -6.029 -10.431 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.443 -7.198 -9.698 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.200 -8.673 -11.708 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.135 -7.491 -12.441 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.907 -5.852 -12.608 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.961 -6.777 -11.558 1.00 0.00 H new ATOM 0 HE ARG A 24 4.370 -7.311 -14.405 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.135 -8.309 -11.491 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.951 -9.637 -12.323 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.274 -9.082 -15.388 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.462 -10.074 -14.535 1.00 0.00 H new ATOM 377 N LEU A 25 0.989 -10.225 -10.435 1.00 0.00 N ATOM 378 CA LEU A 25 1.209 -11.682 -10.442 1.00 0.00 C ATOM 379 C LEU A 25 1.834 -12.184 -11.745 1.00 0.00 C ATOM 380 O LEU A 25 1.814 -13.382 -12.038 1.00 0.00 O ATOM 381 CB LEU A 25 -0.097 -12.436 -10.135 1.00 0.00 C ATOM 382 CG LEU A 25 -0.727 -12.129 -8.765 1.00 0.00 C ATOM 383 CD1 LEU A 25 -1.949 -13.030 -8.562 1.00 0.00 C ATOM 384 CD2 LEU A 25 0.254 -12.329 -7.611 1.00 0.00 C ATOM 0 H LEU A 25 0.238 -9.930 -11.059 1.00 0.00 H new ATOM 0 HA LEU A 25 1.929 -11.891 -9.651 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.824 -12.201 -10.912 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.098 -13.507 -10.195 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.017 -11.078 -8.762 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.401 -12.818 -7.593 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.677 -12.839 -9.351 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.641 -14.075 -8.598 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.242 -12.099 -6.668 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.595 -13.364 -7.599 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.110 -11.667 -7.742 1.00 0.00 H new ATOM 396 N GLY A 26 2.350 -11.274 -12.558 1.00 0.00 N ATOM 397 CA GLY A 26 2.770 -11.523 -13.919 1.00 0.00 C ATOM 398 C GLY A 26 2.104 -10.466 -14.782 1.00 0.00 C ATOM 399 O GLY A 26 1.932 -9.330 -14.331 1.00 0.00 O ATOM 0 H GLY A 26 2.491 -10.305 -12.271 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.855 -11.466 -14.006 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.477 -12.523 -14.237 1.00 0.00 H new ATOM 403 N ASP A 27 1.718 -10.828 -15.996 1.00 0.00 N ATOM 404 CA ASP A 27 1.074 -9.912 -16.929 1.00 0.00 C ATOM 405 C ASP A 27 -0.426 -9.866 -16.609 1.00 0.00 C ATOM 406 O ASP A 27 -0.894 -9.032 -15.827 1.00 0.00 O ATOM 407 CB ASP A 27 1.362 -10.375 -18.370 1.00 0.00 C ATOM 408 CG ASP A 27 2.702 -9.908 -18.940 1.00 0.00 C ATOM 409 OD1 ASP A 27 3.608 -9.505 -18.172 1.00 0.00 O ATOM 410 OD2 ASP A 27 2.868 -9.989 -20.176 1.00 0.00 O ATOM 0 H ASP A 27 1.843 -11.771 -16.365 1.00 0.00 H new ATOM 0 HA ASP A 27 1.467 -8.900 -16.832 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.331 -11.464 -18.399 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.563 -10.016 -19.018 1.00 0.00 H new ATOM 415 N THR A 28 -1.183 -10.809 -17.165 1.00 0.00 N ATOM 416 CA THR A 28 -2.641 -10.859 -17.239 1.00 0.00 C ATOM 417 C THR A 28 -3.246 -11.525 -15.997 1.00 0.00 C ATOM 418 O THR A 28 -4.129 -12.378 -16.111 1.00 0.00 O ATOM 419 CB THR A 28 -2.997 -11.606 -18.546 1.00 0.00 C ATOM 420 OG1 THR A 28 -2.143 -12.734 -18.689 1.00 0.00 O ATOM 421 CG2 THR A 28 -2.826 -10.684 -19.756 1.00 0.00 C ATOM 0 H THR A 28 -0.759 -11.622 -17.611 1.00 0.00 H new ATOM 0 HA THR A 28 -3.066 -9.855 -17.257 1.00 0.00 H new ATOM 0 HB THR A 28 -4.037 -11.928 -18.495 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.367 -13.211 -19.515 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.081 -11.227 -20.666 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.484 -9.821 -19.652 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.791 -10.346 -19.813 1.00 0.00 H new ATOM 429 N GLY A 29 -2.755 -11.194 -14.802 1.00 0.00 N ATOM 430 CA GLY A 29 -3.162 -11.860 -13.576 1.00 0.00 C ATOM 431 C GLY A 29 -3.618 -10.853 -12.541 1.00 0.00 C ATOM 432 O GLY A 29 -4.790 -10.474 -12.499 1.00 0.00 O ATOM 0 H GLY A 29 -2.065 -10.456 -14.663 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.970 -12.560 -13.789 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.330 -12.443 -13.181 1.00 0.00 H new ATOM 436 N SER A 30 -2.654 -10.434 -11.729 1.00 0.00 N ATOM 437 CA SER A 30 -2.765 -9.508 -10.614 1.00 0.00 C ATOM 438 C SER A 30 -3.752 -9.954 -9.505 1.00 0.00 C ATOM 439 O SER A 30 -4.448 -10.970 -9.628 1.00 0.00 O ATOM 440 CB SER A 30 -2.906 -8.057 -11.132 1.00 0.00 C ATOM 441 OG SER A 30 -2.996 -7.905 -12.543 1.00 0.00 O ATOM 0 H SER A 30 -1.695 -10.763 -11.846 1.00 0.00 H new ATOM 0 HA SER A 30 -1.828 -9.527 -10.058 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.795 -7.616 -10.682 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.051 -7.481 -10.778 1.00 0.00 H new ATOM 0 HG SER A 30 -3.084 -6.954 -12.765 1.00 0.00 H new ATOM 447 N PHE A 31 -3.745 -9.254 -8.367 1.00 0.00 N ATOM 448 CA PHE A 31 -4.681 -9.414 -7.253 1.00 0.00 C ATOM 449 C PHE A 31 -4.994 -8.034 -6.679 1.00 0.00 C ATOM 450 O PHE A 31 -4.095 -7.193 -6.594 1.00 0.00 O ATOM 451 CB PHE A 31 -4.071 -10.310 -6.161 1.00 0.00 C ATOM 452 CG PHE A 31 -4.765 -10.226 -4.811 1.00 0.00 C ATOM 453 CD1 PHE A 31 -5.887 -11.029 -4.529 1.00 0.00 C ATOM 454 CD2 PHE A 31 -4.321 -9.297 -3.849 1.00 0.00 C ATOM 455 CE1 PHE A 31 -6.576 -10.884 -3.312 1.00 0.00 C ATOM 456 CE2 PHE A 31 -5.000 -9.161 -2.626 1.00 0.00 C ATOM 457 CZ PHE A 31 -6.131 -9.950 -2.363 1.00 0.00 C ATOM 0 H PHE A 31 -3.053 -8.526 -8.190 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.595 -9.888 -7.610 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.095 -11.345 -6.503 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.022 -10.041 -6.033 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.220 -11.760 -5.251 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.454 -8.686 -4.053 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.446 -11.490 -3.108 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.652 -8.451 -1.890 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.660 -9.838 -1.428 1.00 0.00 H new ATOM 467 N ASP A 32 -6.224 -7.807 -6.229 1.00 0.00 N ATOM 468 CA ASP A 32 -6.633 -6.612 -5.497 1.00 0.00 C ATOM 469 C ASP A 32 -7.391 -7.069 -4.257 1.00 0.00 C ATOM 470 O ASP A 32 -8.228 -7.966 -4.345 1.00 0.00 O ATOM 471 CB ASP A 32 -7.507 -5.721 -6.389 1.00 0.00 C ATOM 472 CG ASP A 32 -8.021 -4.482 -5.653 1.00 0.00 C ATOM 473 OD1 ASP A 32 -8.878 -4.604 -4.755 1.00 0.00 O ATOM 474 OD2 ASP A 32 -7.530 -3.367 -5.967 1.00 0.00 O ATOM 0 H ASP A 32 -6.987 -8.469 -6.368 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.767 -6.020 -5.201 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.932 -5.409 -7.261 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.355 -6.300 -6.756 1.00 0.00 H new ATOM 479 N GLY A 33 -7.114 -6.445 -3.114 1.00 0.00 N ATOM 480 CA GLY A 33 -7.803 -6.704 -1.847 1.00 0.00 C ATOM 481 C GLY A 33 -7.829 -5.452 -0.976 1.00 0.00 C ATOM 482 O GLY A 33 -7.354 -4.395 -1.408 1.00 0.00 O ATOM 0 H GLY A 33 -6.390 -5.730 -3.039 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.822 -7.036 -2.044 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.302 -7.512 -1.314 1.00 0.00 H new ATOM 486 N THR A 34 -8.331 -5.568 0.254 1.00 0.00 N ATOM 487 CA THR A 34 -8.244 -4.536 1.276 1.00 0.00 C ATOM 488 C THR A 34 -7.469 -5.093 2.469 1.00 0.00 C ATOM 489 O THR A 34 -7.593 -6.278 2.789 1.00 0.00 O ATOM 490 CB THR A 34 -9.652 -4.091 1.721 1.00 0.00 C ATOM 491 OG1 THR A 34 -10.677 -4.364 0.785 1.00 0.00 O ATOM 492 CG2 THR A 34 -9.640 -2.582 1.951 1.00 0.00 C ATOM 0 H THR A 34 -8.821 -6.405 0.570 1.00 0.00 H new ATOM 0 HA THR A 34 -7.728 -3.666 0.869 1.00 0.00 H new ATOM 0 HB THR A 34 -9.873 -4.663 2.622 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.779 -5.334 0.685 1.00 0.00 H new ATOM 0 HG21 THR A 34 -10.631 -2.254 2.266 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.913 -2.338 2.726 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.368 -2.075 1.025 1.00 0.00 H new ATOM 500 N ALA A 35 -6.704 -4.252 3.164 1.00 0.00 N ATOM 501 CA ALA A 35 -6.090 -4.558 4.446 1.00 0.00 C ATOM 502 C ALA A 35 -6.121 -3.270 5.241 1.00 0.00 C ATOM 503 O ALA A 35 -6.048 -2.181 4.657 1.00 0.00 O ATOM 504 CB ALA A 35 -4.635 -5.016 4.290 1.00 0.00 C ATOM 0 H ALA A 35 -6.491 -3.310 2.836 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.629 -5.370 4.934 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.215 -5.234 5.272 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.600 -5.914 3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.054 -4.226 3.814 1.00 0.00 H new ATOM 510 N ALA A 36 -6.213 -3.397 6.558 1.00 0.00 N ATOM 511 CA ALA A 36 -5.873 -2.310 7.445 1.00 0.00 C ATOM 512 C ALA A 36 -4.350 -2.263 7.573 1.00 0.00 C ATOM 513 O ALA A 36 -3.670 -3.287 7.448 1.00 0.00 O ATOM 514 CB ALA A 36 -6.542 -2.555 8.795 1.00 0.00 C ATOM 0 H ALA A 36 -6.522 -4.247 7.030 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.223 -1.352 7.061 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.294 -1.741 9.477 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.623 -2.601 8.662 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.187 -3.498 9.211 1.00 0.00 H new ATOM 520 N ILE A 37 -3.839 -1.063 7.816 1.00 0.00 N ATOM 521 CA ILE A 37 -2.494 -0.795 8.288 1.00 0.00 C ATOM 522 C ILE A 37 -2.491 -1.162 9.775 1.00 0.00 C ATOM 523 O ILE A 37 -3.544 -1.176 10.425 1.00 0.00 O ATOM 524 CB ILE A 37 -2.122 0.686 7.990 1.00 0.00 C ATOM 525 CG1 ILE A 37 -2.271 0.955 6.468 1.00 0.00 C ATOM 526 CG2 ILE A 37 -0.680 1.040 8.410 1.00 0.00 C ATOM 527 CD1 ILE A 37 -2.095 2.408 6.018 1.00 0.00 C ATOM 0 H ILE A 37 -4.382 -0.210 7.681 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.729 -1.383 7.782 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.800 1.308 8.574 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.542 0.342 5.939 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.259 0.617 6.155 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.480 2.086 8.177 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.563 0.878 9.482 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.023 0.407 7.869 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.221 2.472 4.937 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.841 3.034 6.508 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.097 2.754 6.288 1.00 0.00 H new ATOM 539 N THR A 38 -1.305 -1.472 10.288 1.00 0.00 N ATOM 540 CA THR A 38 -1.100 -1.906 11.659 1.00 0.00 C ATOM 541 C THR A 38 0.076 -1.181 12.313 1.00 0.00 C ATOM 542 O THR A 38 -0.010 -0.781 13.475 1.00 0.00 O ATOM 543 CB THR A 38 -0.923 -3.440 11.661 1.00 0.00 C ATOM 544 OG1 THR A 38 0.206 -3.827 10.891 1.00 0.00 O ATOM 545 CG2 THR A 38 -2.138 -4.162 11.056 1.00 0.00 C ATOM 0 H THR A 38 -0.442 -1.426 9.747 1.00 0.00 H new ATOM 0 HA THR A 38 -1.970 -1.648 12.262 1.00 0.00 H new ATOM 0 HB THR A 38 -0.800 -3.721 12.707 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.296 -4.803 10.910 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.970 -5.239 11.078 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.029 -3.922 11.636 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.278 -3.838 10.025 1.00 0.00 H new ATOM 553 N SER A 39 1.171 -0.991 11.575 1.00 0.00 N ATOM 554 CA SER A 39 2.388 -0.351 12.045 1.00 0.00 C ATOM 555 C SER A 39 2.944 0.509 10.912 1.00 0.00 C ATOM 556 O SER A 39 2.719 0.202 9.735 1.00 0.00 O ATOM 557 CB SER A 39 3.416 -1.416 12.445 1.00 0.00 C ATOM 558 OG SER A 39 2.877 -2.458 13.242 1.00 0.00 O ATOM 0 H SER A 39 1.231 -1.291 10.602 1.00 0.00 H new ATOM 0 HA SER A 39 2.175 0.268 12.916 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.849 -1.848 11.542 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.229 -0.937 12.990 1.00 0.00 H new ATOM 0 HG SER A 39 3.583 -3.102 13.460 1.00 0.00 H new ATOM 564 N LEU A 40 3.697 1.559 11.245 1.00 0.00 N ATOM 565 CA LEU A 40 4.283 2.459 10.258 1.00 0.00 C ATOM 566 C LEU A 40 5.609 2.998 10.781 1.00 0.00 C ATOM 567 O LEU A 40 5.692 3.411 11.940 1.00 0.00 O ATOM 568 CB LEU A 40 3.297 3.601 9.940 1.00 0.00 C ATOM 569 CG LEU A 40 3.018 3.716 8.432 1.00 0.00 C ATOM 570 CD1 LEU A 40 1.754 4.539 8.202 1.00 0.00 C ATOM 571 CD2 LEU A 40 4.180 4.363 7.670 1.00 0.00 C ATOM 0 H LEU A 40 3.916 1.807 12.210 1.00 0.00 H new ATOM 0 HA LEU A 40 4.478 1.916 9.333 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.360 3.430 10.470 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.703 4.544 10.307 1.00 0.00 H new ATOM 0 HG LEU A 40 2.891 2.702 8.052 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.561 4.618 7.132 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.909 4.052 8.689 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.888 5.536 8.621 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.933 4.421 6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.355 5.367 8.057 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.080 3.762 7.800 1.00 0.00 H new ATOM 583 N LYS A 41 6.630 2.981 9.923 1.00 0.00 N ATOM 584 CA LYS A 41 7.949 3.549 10.128 1.00 0.00 C ATOM 585 C LYS A 41 8.390 4.187 8.804 1.00 0.00 C ATOM 586 O LYS A 41 9.217 3.633 8.070 1.00 0.00 O ATOM 587 CB LYS A 41 8.896 2.458 10.658 1.00 0.00 C ATOM 588 CG LYS A 41 10.160 3.055 11.293 1.00 0.00 C ATOM 589 CD LYS A 41 11.179 1.975 11.684 1.00 0.00 C ATOM 590 CE LYS A 41 11.800 1.375 10.420 1.00 0.00 C ATOM 591 NZ LYS A 41 12.993 0.557 10.702 1.00 0.00 N ATOM 0 H LYS A 41 6.544 2.539 9.008 1.00 0.00 H new ATOM 0 HA LYS A 41 7.956 4.334 10.884 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.372 1.850 11.395 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.179 1.795 9.841 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.622 3.751 10.593 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.884 3.629 12.178 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.957 2.406 12.315 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.691 1.194 12.268 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.056 0.761 9.912 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.070 2.180 9.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.371 0.176 9.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.717 1.145 11.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.734 -0.229 11.332 1.00 0.00 H new ATOM 605 N GLY A 42 7.823 5.347 8.474 1.00 0.00 N ATOM 606 CA GLY A 42 8.109 6.112 7.261 1.00 0.00 C ATOM 607 C GLY A 42 7.896 5.293 5.986 1.00 0.00 C ATOM 608 O GLY A 42 6.782 4.859 5.715 1.00 0.00 O ATOM 0 H GLY A 42 7.125 5.797 9.067 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.470 6.994 7.233 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.139 6.466 7.293 1.00 0.00 H new ATOM 612 N SER A 43 8.953 5.040 5.203 1.00 0.00 N ATOM 613 CA SER A 43 8.940 4.199 3.992 1.00 0.00 C ATOM 614 C SER A 43 8.620 2.736 4.232 1.00 0.00 C ATOM 615 O SER A 43 8.878 1.940 3.338 1.00 0.00 O ATOM 616 CB SER A 43 10.295 4.267 3.293 1.00 0.00 C ATOM 617 OG SER A 43 11.322 3.821 4.162 1.00 0.00 O ATOM 0 H SER A 43 9.876 5.428 5.400 1.00 0.00 H new ATOM 0 HA SER A 43 8.136 4.609 3.381 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.279 3.652 2.393 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.497 5.290 2.976 1.00 0.00 H new ATOM 0 HG SER A 43 12.159 4.280 3.942 1.00 0.00 H new ATOM 623 N LEU A 44 8.166 2.353 5.412 1.00 0.00 N ATOM 624 CA LEU A 44 7.928 0.970 5.760 1.00 0.00 C ATOM 625 C LEU A 44 6.634 0.943 6.539 1.00 0.00 C ATOM 626 O LEU A 44 6.555 1.545 7.603 1.00 0.00 O ATOM 627 CB LEU A 44 9.102 0.418 6.580 1.00 0.00 C ATOM 628 CG LEU A 44 9.357 -1.101 6.457 1.00 0.00 C ATOM 629 CD1 LEU A 44 9.810 -1.667 7.808 1.00 0.00 C ATOM 630 CD2 LEU A 44 8.238 -1.968 5.910 1.00 0.00 C ATOM 0 H LEU A 44 7.950 3.007 6.165 1.00 0.00 H new ATOM 0 HA LEU A 44 7.848 0.337 4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.008 0.944 6.280 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.929 0.654 7.630 1.00 0.00 H new ATOM 0 HG LEU A 44 10.131 -1.155 5.691 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.988 -2.738 7.713 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.730 -1.173 8.119 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.035 -1.493 8.554 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.564 -3.008 5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.362 -1.879 6.552 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.984 -1.641 4.902 1.00 0.00 H new ATOM 642 N ALA A 45 5.623 0.271 6.019 1.00 0.00 N ATOM 643 CA ALA A 45 4.366 0.064 6.726 1.00 0.00 C ATOM 644 C ALA A 45 4.110 -1.432 6.815 1.00 0.00 C ATOM 645 O ALA A 45 4.762 -2.197 6.108 1.00 0.00 O ATOM 646 CB ALA A 45 3.236 0.802 6.009 1.00 0.00 C ATOM 0 H ALA A 45 5.648 -0.150 5.090 1.00 0.00 H new ATOM 0 HA ALA A 45 4.417 0.469 7.737 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.300 0.642 6.544 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.459 1.868 5.979 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.142 0.423 4.992 1.00 0.00 H new ATOM 652 N TRP A 46 3.168 -1.843 7.657 1.00 0.00 N ATOM 653 CA TRP A 46 2.715 -3.225 7.774 1.00 0.00 C ATOM 654 C TRP A 46 1.198 -3.274 7.677 1.00 0.00 C ATOM 655 O TRP A 46 0.520 -2.259 7.873 1.00 0.00 O ATOM 656 CB TRP A 46 3.254 -3.892 9.048 1.00 0.00 C ATOM 657 CG TRP A 46 4.652 -4.433 8.946 1.00 0.00 C ATOM 658 CD1 TRP A 46 5.789 -3.702 8.883 1.00 0.00 C ATOM 659 CD2 TRP A 46 5.074 -5.828 8.834 1.00 0.00 C ATOM 660 NE1 TRP A 46 6.878 -4.546 8.775 1.00 0.00 N ATOM 661 CE2 TRP A 46 6.498 -5.871 8.773 1.00 0.00 C ATOM 662 CE3 TRP A 46 4.401 -7.064 8.764 1.00 0.00 C ATOM 663 CZ2 TRP A 46 7.212 -7.077 8.682 1.00 0.00 C ATOM 664 CZ3 TRP A 46 5.102 -8.277 8.642 1.00 0.00 C ATOM 665 CH2 TRP A 46 6.507 -8.291 8.610 1.00 0.00 C ATOM 0 H TRP A 46 2.686 -1.208 8.293 1.00 0.00 H new ATOM 0 HA TRP A 46 3.121 -3.806 6.946 1.00 0.00 H new ATOM 0 HB2 TRP A 46 3.221 -3.166 9.860 1.00 0.00 H new ATOM 0 HB3 TRP A 46 2.585 -4.708 9.322 1.00 0.00 H new ATOM 0 HD1 TRP A 46 5.838 -2.624 8.913 1.00 0.00 H new ATOM 0 HE1 TRP A 46 7.844 -4.227 8.705 1.00 0.00 H new ATOM 0 HE3 TRP A 46 3.322 -7.080 8.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 8.292 -7.072 8.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 4.556 -9.206 8.572 1.00 0.00 H new ATOM 0 HH2 TRP A 46 7.041 -9.227 8.531 1.00 0.00 H new ATOM 676 N LEU A 47 0.699 -4.441 7.271 1.00 0.00 N ATOM 677 CA LEU A 47 -0.643 -4.686 6.778 1.00 0.00 C ATOM 678 C LEU A 47 -1.051 -6.096 7.187 1.00 0.00 C ATOM 679 O LEU A 47 -0.213 -7.002 7.238 1.00 0.00 O ATOM 680 CB LEU A 47 -0.644 -4.644 5.236 1.00 0.00 C ATOM 681 CG LEU A 47 -0.286 -3.288 4.608 1.00 0.00 C ATOM 682 CD1 LEU A 47 0.019 -3.460 3.123 1.00 0.00 C ATOM 683 CD2 LEU A 47 -1.417 -2.272 4.759 1.00 0.00 C ATOM 0 H LEU A 47 1.263 -5.291 7.281 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.321 -3.934 7.182 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.060 -5.391 4.870 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.633 -4.938 4.883 1.00 0.00 H new ATOM 0 HG LEU A 47 0.591 -2.914 5.136 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.271 -2.493 2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.860 -4.143 3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.856 -3.868 2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.122 -1.328 4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.313 -2.649 4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.624 -2.113 5.817 1.00 0.00 H new ATOM 695 N GLU A 48 -2.348 -6.309 7.382 1.00 0.00 N ATOM 696 CA GLU A 48 -2.947 -7.634 7.450 1.00 0.00 C ATOM 697 C GLU A 48 -4.371 -7.512 6.938 1.00 0.00 C ATOM 698 O GLU A 48 -5.121 -6.615 7.330 1.00 0.00 O ATOM 699 CB GLU A 48 -2.869 -8.190 8.885 1.00 0.00 C ATOM 700 CG GLU A 48 -3.753 -9.433 9.084 1.00 0.00 C ATOM 701 CD GLU A 48 -3.611 -10.119 10.443 1.00 0.00 C ATOM 702 OE1 GLU A 48 -2.981 -9.588 11.387 1.00 0.00 O ATOM 703 OE2 GLU A 48 -4.211 -11.212 10.594 1.00 0.00 O ATOM 0 H GLU A 48 -3.022 -5.553 7.499 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.407 -8.349 6.829 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.835 -8.443 9.117 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.174 -7.415 9.588 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.795 -9.144 8.947 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.518 -10.156 8.303 1.00 0.00 H new ATOM 710 N LEU A 49 -4.687 -8.416 6.020 1.00 0.00 N ATOM 711 CA LEU A 49 -5.902 -8.493 5.210 1.00 0.00 C ATOM 712 C LEU A 49 -7.186 -8.566 6.054 1.00 0.00 C ATOM 713 O LEU A 49 -7.165 -8.968 7.216 1.00 0.00 O ATOM 714 CB LEU A 49 -5.764 -9.720 4.295 1.00 0.00 C ATOM 715 CG LEU A 49 -4.775 -9.578 3.117 1.00 0.00 C ATOM 716 CD1 LEU A 49 -5.310 -8.747 1.950 1.00 0.00 C ATOM 717 CD2 LEU A 49 -3.412 -9.060 3.474 1.00 0.00 C ATOM 0 H LEU A 49 -4.047 -9.180 5.802 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.001 -7.578 4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.454 -10.569 4.904 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.748 -9.960 3.891 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.668 -10.618 2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.556 -8.695 1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.213 -9.212 1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.542 -7.740 2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.799 -8.999 2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.504 -8.069 3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.942 -9.735 4.189 1.00 0.00 H new ATOM 729 N PHE A 50 -8.310 -8.184 5.441 1.00 0.00 N ATOM 730 CA PHE A 50 -9.591 -7.895 6.085 1.00 0.00 C ATOM 731 C PHE A 50 -10.360 -9.174 6.441 1.00 0.00 C ATOM 732 O PHE A 50 -10.471 -9.526 7.617 1.00 0.00 O ATOM 733 CB PHE A 50 -10.403 -6.909 5.215 1.00 0.00 C ATOM 734 CG PHE A 50 -10.764 -5.640 5.955 1.00 0.00 C ATOM 735 CD1 PHE A 50 -9.783 -4.653 6.143 1.00 0.00 C ATOM 736 CD2 PHE A 50 -12.049 -5.463 6.498 1.00 0.00 C ATOM 737 CE1 PHE A 50 -10.069 -3.527 6.932 1.00 0.00 C ATOM 738 CE2 PHE A 50 -12.347 -4.312 7.249 1.00 0.00 C ATOM 739 CZ PHE A 50 -11.347 -3.358 7.493 1.00 0.00 C ATOM 0 H PHE A 50 -8.351 -8.062 4.429 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.404 -7.407 7.042 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.826 -6.655 4.326 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -11.315 -7.398 4.874 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.812 -4.759 5.682 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.809 -6.213 6.338 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -9.303 -2.787 7.109 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.344 -4.162 7.637 1.00 0.00 H new ATOM 0 HZ PHE A 50 -11.558 -2.497 8.110 1.00 0.00 H new ATOM 749 N GLY A 51 -10.882 -9.914 5.460 1.00 0.00 N ATOM 750 CA GLY A 51 -11.556 -11.195 5.680 1.00 0.00 C ATOM 751 C GLY A 51 -12.387 -11.555 4.454 1.00 0.00 C ATOM 752 O GLY A 51 -13.123 -10.698 3.982 1.00 0.00 O ATOM 0 H GLY A 51 -10.848 -9.637 4.479 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.820 -11.975 5.875 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -12.196 -11.134 6.560 1.00 0.00 H new ATOM 756 N ALA A 52 -12.261 -12.793 3.962 1.00 0.00 N ATOM 757 CA ALA A 52 -12.798 -13.351 2.717 1.00 0.00 C ATOM 758 C ALA A 52 -12.044 -12.899 1.457 1.00 0.00 C ATOM 759 O ALA A 52 -12.333 -13.396 0.373 1.00 0.00 O ATOM 760 CB ALA A 52 -14.304 -13.111 2.569 1.00 0.00 C ATOM 0 H ALA A 52 -11.729 -13.496 4.475 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.635 -14.425 2.804 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.651 -13.544 1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.830 -13.579 3.401 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -14.503 -12.039 2.570 1.00 0.00 H new ATOM 766 N GLU A 53 -11.056 -12.012 1.577 1.00 0.00 N ATOM 767 CA GLU A 53 -10.429 -11.307 0.461 1.00 0.00 C ATOM 768 C GLU A 53 -8.913 -11.142 0.658 1.00 0.00 C ATOM 769 O GLU A 53 -8.338 -10.104 0.337 1.00 0.00 O ATOM 770 CB GLU A 53 -11.150 -9.966 0.266 1.00 0.00 C ATOM 771 CG GLU A 53 -11.374 -9.183 1.575 1.00 0.00 C ATOM 772 CD GLU A 53 -11.353 -7.644 1.474 1.00 0.00 C ATOM 773 OE1 GLU A 53 -10.712 -7.079 0.555 1.00 0.00 O ATOM 774 OE2 GLU A 53 -11.932 -6.984 2.369 1.00 0.00 O ATOM 0 H GLU A 53 -10.659 -11.757 2.481 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.533 -11.900 -0.448 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -10.570 -9.349 -0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -12.115 -10.149 -0.207 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -12.336 -9.484 1.991 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -10.609 -9.488 2.289 1.00 0.00 H new ATOM 781 N GLN A 54 -8.258 -12.128 1.274 1.00 0.00 N ATOM 782 CA GLN A 54 -6.803 -12.304 1.125 1.00 0.00 C ATOM 783 C GLN A 54 -6.460 -12.903 -0.247 1.00 0.00 C ATOM 784 O GLN A 54 -7.330 -13.479 -0.904 1.00 0.00 O ATOM 785 CB GLN A 54 -6.099 -13.099 2.254 1.00 0.00 C ATOM 786 CG GLN A 54 -6.924 -14.069 3.067 1.00 0.00 C ATOM 787 CD GLN A 54 -6.115 -15.258 3.595 1.00 0.00 C ATOM 788 OE1 GLN A 54 -5.811 -16.210 2.887 1.00 0.00 O ATOM 789 NE2 GLN A 54 -5.761 -15.250 4.868 1.00 0.00 N ATOM 0 H GLN A 54 -8.705 -12.817 1.879 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.403 -11.293 1.207 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.277 -13.656 1.806 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.658 -12.379 2.943 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.370 -13.539 3.909 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.745 -14.441 2.453 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.012 -14.460 5.462 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.237 -16.034 5.257 1.00 0.00 H new ATOM 798 N PRO A 55 -5.197 -12.762 -0.676 1.00 0.00 N ATOM 799 CA PRO A 55 -4.708 -13.364 -1.904 1.00 0.00 C ATOM 800 C PRO A 55 -4.541 -14.886 -1.768 1.00 0.00 C ATOM 801 O PRO A 55 -4.579 -15.418 -0.657 1.00 0.00 O ATOM 802 CB PRO A 55 -3.387 -12.648 -2.191 1.00 0.00 C ATOM 803 CG PRO A 55 -2.904 -12.156 -0.833 1.00 0.00 C ATOM 804 CD PRO A 55 -4.166 -11.974 -0.018 1.00 0.00 C ATOM 0 HA PRO A 55 -5.410 -13.245 -2.729 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.663 -13.323 -2.647 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.530 -11.819 -2.884 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.232 -12.877 -0.367 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.353 -11.220 -0.924 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.017 -12.309 1.009 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.451 -10.923 0.028 1.00 0.00 H new ATOM 812 N PRO A 56 -4.351 -15.597 -2.894 1.00 0.00 N ATOM 813 CA PRO A 56 -4.113 -17.032 -2.872 1.00 0.00 C ATOM 814 C PRO A 56 -2.814 -17.400 -2.136 1.00 0.00 C ATOM 815 O PRO A 56 -1.914 -16.566 -1.986 1.00 0.00 O ATOM 816 CB PRO A 56 -4.111 -17.482 -4.339 1.00 0.00 C ATOM 817 CG PRO A 56 -4.089 -16.220 -5.201 1.00 0.00 C ATOM 818 CD PRO A 56 -4.381 -15.065 -4.252 1.00 0.00 C ATOM 0 HA PRO A 56 -4.891 -17.549 -2.311 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.242 -18.106 -4.549 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.994 -18.082 -4.558 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.120 -16.094 -5.685 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.836 -16.274 -5.993 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.640 -14.274 -4.371 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.354 -14.626 -4.471 1.00 0.00 H new ATOM 826 N PRO A 57 -2.676 -18.676 -1.723 1.00 0.00 N ATOM 827 CA PRO A 57 -1.452 -19.158 -1.106 1.00 0.00 C ATOM 828 C PRO A 57 -0.286 -19.099 -2.080 1.00 0.00 C ATOM 829 O PRO A 57 -0.504 -19.132 -3.295 1.00 0.00 O ATOM 830 CB PRO A 57 -1.725 -20.605 -0.702 1.00 0.00 C ATOM 831 CG PRO A 57 -2.864 -21.048 -1.609 1.00 0.00 C ATOM 832 CD PRO A 57 -3.641 -19.759 -1.860 1.00 0.00 C ATOM 0 HA PRO A 57 -1.180 -18.541 -0.250 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.842 -21.229 -0.841 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.004 -20.677 0.349 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.492 -21.480 -2.538 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.486 -21.805 -1.132 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.088 -19.760 -2.854 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.456 -19.649 -1.144 1.00 0.00 H new ATOM 840 N ASN A 58 0.944 -19.086 -1.550 1.00 0.00 N ATOM 841 CA ASN A 58 2.216 -19.210 -2.279 1.00 0.00 C ATOM 842 C ASN A 58 2.332 -18.275 -3.491 1.00 0.00 C ATOM 843 O ASN A 58 3.096 -18.535 -4.422 1.00 0.00 O ATOM 844 CB ASN A 58 2.506 -20.687 -2.612 1.00 0.00 C ATOM 845 CG ASN A 58 1.503 -21.301 -3.573 1.00 0.00 C ATOM 846 OD1 ASN A 58 0.661 -22.103 -3.175 1.00 0.00 O ATOM 847 ND2 ASN A 58 1.560 -20.963 -4.842 1.00 0.00 N ATOM 0 H ASN A 58 1.088 -18.983 -0.545 1.00 0.00 H new ATOM 0 HA ASN A 58 3.004 -18.863 -1.610 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.504 -20.765 -3.043 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.512 -21.265 -1.688 1.00 0.00 H new ATOM 0 HD21 ASN A 58 0.901 -21.367 -5.508 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.263 -20.296 -5.161 1.00 0.00 H new ATOM 854 N THR A 59 1.560 -17.192 -3.483 1.00 0.00 N ATOM 855 CA THR A 59 1.403 -16.246 -4.573 1.00 0.00 C ATOM 856 C THR A 59 2.366 -15.083 -4.368 1.00 0.00 C ATOM 857 O THR A 59 3.056 -14.642 -5.291 1.00 0.00 O ATOM 858 CB THR A 59 -0.059 -15.783 -4.520 1.00 0.00 C ATOM 859 OG1 THR A 59 -0.894 -16.900 -4.741 1.00 0.00 O ATOM 860 CG2 THR A 59 -0.434 -14.790 -5.597 1.00 0.00 C ATOM 0 H THR A 59 0.998 -16.941 -2.669 1.00 0.00 H new ATOM 0 HA THR A 59 1.628 -16.683 -5.546 1.00 0.00 H new ATOM 0 HB THR A 59 -0.181 -15.312 -3.545 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.820 -17.519 -3.985 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.483 -14.514 -5.488 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.187 -13.899 -5.503 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.277 -15.240 -6.577 1.00 0.00 H new ATOM 868 N LEU A 60 2.383 -14.571 -3.141 1.00 0.00 N ATOM 869 CA LEU A 60 3.167 -13.431 -2.713 1.00 0.00 C ATOM 870 C LEU A 60 4.639 -13.808 -2.689 1.00 0.00 C ATOM 871 O LEU A 60 4.978 -14.967 -2.442 1.00 0.00 O ATOM 872 CB LEU A 60 2.748 -13.068 -1.286 1.00 0.00 C ATOM 873 CG LEU A 60 1.539 -12.137 -1.150 1.00 0.00 C ATOM 874 CD1 LEU A 60 1.844 -10.692 -1.574 1.00 0.00 C ATOM 875 CD2 LEU A 60 0.319 -12.640 -1.888 1.00 0.00 C ATOM 0 H LEU A 60 1.821 -14.964 -2.386 1.00 0.00 H new ATOM 0 HA LEU A 60 3.006 -12.596 -3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.532 -13.991 -0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.598 -12.600 -0.788 1.00 0.00 H new ATOM 0 HG LEU A 60 1.313 -12.137 -0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.949 -10.081 -1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.643 -10.291 -0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.157 -10.678 -2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.503 -11.937 -1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.548 -12.731 -2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.031 -13.615 -1.494 1.00 0.00 H new ATOM 887 N SER A 61 5.502 -12.810 -2.821 1.00 0.00 N ATOM 888 CA SER A 61 6.885 -12.867 -2.398 1.00 0.00 C ATOM 889 C SER A 61 7.294 -11.475 -1.903 1.00 0.00 C ATOM 890 O SER A 61 6.558 -10.501 -2.079 1.00 0.00 O ATOM 891 CB SER A 61 7.758 -13.298 -3.569 1.00 0.00 C ATOM 892 OG SER A 61 7.488 -14.610 -4.046 1.00 0.00 O ATOM 0 H SER A 61 5.247 -11.915 -3.238 1.00 0.00 H new ATOM 0 HA SER A 61 7.011 -13.591 -1.593 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.623 -12.591 -4.388 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.804 -13.241 -3.268 1.00 0.00 H new ATOM 0 HG SER A 61 6.753 -15.001 -3.529 1.00 0.00 H new ATOM 898 N GLU A 62 8.480 -11.363 -1.306 1.00 0.00 N ATOM 899 CA GLU A 62 8.908 -10.189 -0.530 1.00 0.00 C ATOM 900 C GLU A 62 9.239 -8.965 -1.389 1.00 0.00 C ATOM 901 O GLU A 62 9.447 -7.856 -0.895 1.00 0.00 O ATOM 902 CB GLU A 62 10.103 -10.551 0.359 1.00 0.00 C ATOM 903 CG GLU A 62 9.775 -11.785 1.199 1.00 0.00 C ATOM 904 CD GLU A 62 10.665 -11.891 2.424 1.00 0.00 C ATOM 905 OE1 GLU A 62 10.268 -11.351 3.478 1.00 0.00 O ATOM 906 OE2 GLU A 62 11.667 -12.626 2.371 1.00 0.00 O ATOM 0 H GLU A 62 9.187 -12.097 -1.346 1.00 0.00 H new ATOM 0 HA GLU A 62 8.055 -9.904 0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.981 -10.744 -0.258 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.349 -9.713 1.010 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.731 -11.744 1.511 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.890 -12.681 0.588 1.00 0.00 H new ATOM 913 N GLY A 63 9.246 -9.149 -2.701 1.00 0.00 N ATOM 914 CA GLY A 63 9.544 -8.131 -3.678 1.00 0.00 C ATOM 915 C GLY A 63 8.318 -7.759 -4.492 1.00 0.00 C ATOM 916 O GLY A 63 8.478 -6.944 -5.400 1.00 0.00 O ATOM 0 H GLY A 63 9.034 -10.053 -3.124 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.929 -7.244 -3.174 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.330 -8.485 -4.345 1.00 0.00 H new ATOM 920 N ALA A 64 7.134 -8.332 -4.201 1.00 0.00 N ATOM 921 CA ALA A 64 5.995 -8.223 -5.098 1.00 0.00 C ATOM 922 C ALA A 64 5.626 -6.754 -5.209 1.00 0.00 C ATOM 923 O ALA A 64 5.691 -6.011 -4.228 1.00 0.00 O ATOM 924 CB ALA A 64 4.807 -9.081 -4.642 1.00 0.00 C ATOM 0 H ALA A 64 6.954 -8.870 -3.353 1.00 0.00 H new ATOM 0 HA ALA A 64 6.268 -8.612 -6.079 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.983 -8.964 -5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.107 -10.128 -4.605 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.486 -8.761 -3.651 1.00 0.00 H new ATOM 930 N GLU A 65 5.300 -6.306 -6.414 1.00 0.00 N ATOM 931 CA GLU A 65 5.440 -4.899 -6.763 1.00 0.00 C ATOM 932 C GLU A 65 4.121 -4.183 -6.506 1.00 0.00 C ATOM 933 O GLU A 65 3.441 -3.686 -7.406 1.00 0.00 O ATOM 934 CB GLU A 65 5.866 -4.767 -8.214 1.00 0.00 C ATOM 935 CG GLU A 65 7.147 -5.539 -8.556 1.00 0.00 C ATOM 936 CD GLU A 65 7.310 -5.696 -10.073 1.00 0.00 C ATOM 937 OE1 GLU A 65 7.597 -4.679 -10.746 1.00 0.00 O ATOM 938 OE2 GLU A 65 7.149 -6.816 -10.611 1.00 0.00 O ATOM 0 H GLU A 65 4.938 -6.895 -7.164 1.00 0.00 H new ATOM 0 HA GLU A 65 6.210 -4.437 -6.145 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.058 -5.121 -8.854 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.016 -3.712 -8.444 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.011 -5.015 -8.147 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.119 -6.522 -8.087 1.00 0.00 H new ATOM 945 N VAL A 66 3.751 -4.154 -5.246 1.00 0.00 N ATOM 946 CA VAL A 66 2.418 -3.745 -4.825 1.00 0.00 C ATOM 947 C VAL A 66 2.285 -2.218 -4.841 1.00 0.00 C ATOM 948 O VAL A 66 3.179 -1.500 -4.384 1.00 0.00 O ATOM 949 CB VAL A 66 2.025 -4.369 -3.483 1.00 0.00 C ATOM 950 CG1 VAL A 66 2.253 -5.878 -3.503 1.00 0.00 C ATOM 951 CG2 VAL A 66 2.773 -3.779 -2.299 1.00 0.00 C ATOM 0 H VAL A 66 4.366 -4.414 -4.475 1.00 0.00 H new ATOM 0 HA VAL A 66 1.701 -4.131 -5.549 1.00 0.00 H new ATOM 0 HB VAL A 66 0.967 -4.142 -3.353 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.968 -6.302 -2.540 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.648 -6.327 -4.291 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.306 -6.084 -3.692 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.445 -4.267 -1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.844 -3.935 -2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.568 -2.710 -2.235 1.00 0.00 H new ATOM 961 N SER A 67 1.170 -1.707 -5.346 1.00 0.00 N ATOM 962 CA SER A 67 0.823 -0.292 -5.241 1.00 0.00 C ATOM 963 C SER A 67 0.079 -0.049 -3.919 1.00 0.00 C ATOM 964 O SER A 67 -0.268 -1.002 -3.210 1.00 0.00 O ATOM 965 CB SER A 67 -0.052 0.118 -6.431 1.00 0.00 C ATOM 966 OG SER A 67 0.335 -0.515 -7.644 1.00 0.00 O ATOM 0 H SER A 67 0.475 -2.264 -5.843 1.00 0.00 H new ATOM 0 HA SER A 67 1.731 0.311 -5.255 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.091 -0.128 -6.214 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.001 1.199 -6.558 1.00 0.00 H new ATOM 0 HG SER A 67 -0.255 -0.221 -8.369 1.00 0.00 H new ATOM 972 N VAL A 68 -0.207 1.218 -3.617 1.00 0.00 N ATOM 973 CA VAL A 68 -1.070 1.651 -2.530 1.00 0.00 C ATOM 974 C VAL A 68 -1.835 2.893 -2.957 1.00 0.00 C ATOM 975 O VAL A 68 -1.194 3.888 -3.285 1.00 0.00 O ATOM 976 CB VAL A 68 -0.262 1.943 -1.249 1.00 0.00 C ATOM 977 CG1 VAL A 68 -0.202 0.708 -0.353 1.00 0.00 C ATOM 978 CG2 VAL A 68 1.153 2.506 -1.476 1.00 0.00 C ATOM 0 H VAL A 68 0.175 2.000 -4.149 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.768 0.845 -2.305 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.812 2.743 -0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.373 0.937 0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.213 0.413 -0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.277 -0.109 -0.892 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.636 2.676 -0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.740 1.793 -2.055 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.087 3.448 -2.020 1.00 0.00 H new ATOM 988 N SER A 69 -3.169 2.879 -2.913 1.00 0.00 N ATOM 989 CA SER A 69 -3.978 4.086 -3.047 1.00 0.00 C ATOM 990 C SER A 69 -4.799 4.291 -1.779 1.00 0.00 C ATOM 991 O SER A 69 -5.128 3.315 -1.092 1.00 0.00 O ATOM 992 CB SER A 69 -4.842 4.026 -4.319 1.00 0.00 C ATOM 993 OG SER A 69 -6.039 3.290 -4.168 1.00 0.00 O ATOM 0 H SER A 69 -3.716 2.028 -2.783 1.00 0.00 H new ATOM 0 HA SER A 69 -3.330 4.955 -3.162 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.089 5.042 -4.626 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.255 3.584 -5.124 1.00 0.00 H new ATOM 0 HG SER A 69 -6.536 3.296 -5.013 1.00 0.00 H new ATOM 999 N VAL A 70 -5.138 5.546 -1.478 1.00 0.00 N ATOM 1000 CA VAL A 70 -6.088 5.919 -0.452 1.00 0.00 C ATOM 1001 C VAL A 70 -6.521 7.366 -0.693 1.00 0.00 C ATOM 1002 O VAL A 70 -5.730 8.224 -1.095 1.00 0.00 O ATOM 1003 CB VAL A 70 -5.465 5.697 0.940 1.00 0.00 C ATOM 1004 CG1 VAL A 70 -4.199 6.525 1.209 1.00 0.00 C ATOM 1005 CG2 VAL A 70 -6.500 5.945 2.031 1.00 0.00 C ATOM 0 H VAL A 70 -4.740 6.350 -1.963 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.980 5.294 -0.494 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.145 4.655 0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.828 6.307 2.210 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.435 6.270 0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.435 7.586 1.133 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.044 5.784 3.008 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.861 6.971 1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.336 5.257 1.903 1.00 0.00 H new ATOM 1015 N TRP A 71 -7.796 7.636 -0.440 1.00 0.00 N ATOM 1016 CA TRP A 71 -8.338 8.982 -0.392 1.00 0.00 C ATOM 1017 C TRP A 71 -7.945 9.586 0.947 1.00 0.00 C ATOM 1018 O TRP A 71 -8.361 9.083 1.993 1.00 0.00 O ATOM 1019 CB TRP A 71 -9.854 8.940 -0.580 1.00 0.00 C ATOM 1020 CG TRP A 71 -10.249 8.594 -1.979 1.00 0.00 C ATOM 1021 CD1 TRP A 71 -10.461 7.353 -2.466 1.00 0.00 C ATOM 1022 CD2 TRP A 71 -10.415 9.498 -3.108 1.00 0.00 C ATOM 1023 NE1 TRP A 71 -10.776 7.435 -3.808 1.00 0.00 N ATOM 1024 CE2 TRP A 71 -10.748 8.734 -4.261 1.00 0.00 C ATOM 1025 CE3 TRP A 71 -10.316 10.894 -3.269 1.00 0.00 C ATOM 1026 CZ2 TRP A 71 -10.991 9.329 -5.505 1.00 0.00 C ATOM 1027 CZ3 TRP A 71 -10.541 11.504 -4.515 1.00 0.00 C ATOM 1028 CH2 TRP A 71 -10.883 10.723 -5.631 1.00 0.00 C ATOM 0 H TRP A 71 -8.491 6.912 -0.260 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.938 9.600 -1.196 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.282 8.209 0.106 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -10.276 9.910 -0.316 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -10.395 6.439 -1.895 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -11.002 6.630 -4.393 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -10.062 11.508 -2.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.258 8.723 -6.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.451 12.576 -4.614 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.063 11.195 -6.586 1.00 0.00 H new ATOM 1039 N THR A 72 -7.091 10.605 0.906 1.00 0.00 N ATOM 1040 CA THR A 72 -6.616 11.333 2.069 1.00 0.00 C ATOM 1041 C THR A 72 -6.168 12.722 1.589 1.00 0.00 C ATOM 1042 O THR A 72 -6.083 12.971 0.381 1.00 0.00 O ATOM 1043 CB THR A 72 -5.499 10.514 2.742 1.00 0.00 C ATOM 1044 OG1 THR A 72 -5.079 11.149 3.929 1.00 0.00 O ATOM 1045 CG2 THR A 72 -4.289 10.326 1.822 1.00 0.00 C ATOM 0 H THR A 72 -6.700 10.955 0.031 1.00 0.00 H new ATOM 0 HA THR A 72 -7.387 11.477 2.825 1.00 0.00 H new ATOM 0 HB THR A 72 -5.914 9.531 2.966 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.370 10.619 4.350 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.526 9.743 2.338 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.597 9.801 0.918 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.881 11.301 1.554 1.00 0.00 H new ATOM 1053 N GLY A 73 -5.870 13.641 2.508 1.00 0.00 N ATOM 1054 CA GLY A 73 -5.279 14.939 2.197 1.00 0.00 C ATOM 1055 C GLY A 73 -6.105 15.823 1.255 1.00 0.00 C ATOM 1056 O GLY A 73 -5.573 16.803 0.742 1.00 0.00 O ATOM 0 H GLY A 73 -6.036 13.500 3.505 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.118 15.480 3.129 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.298 14.776 1.750 1.00 0.00 H new ATOM 1060 N GLY A 74 -7.387 15.522 1.008 1.00 0.00 N ATOM 1061 CA GLY A 74 -8.247 16.322 0.132 1.00 0.00 C ATOM 1062 C GLY A 74 -8.169 15.964 -1.356 1.00 0.00 C ATOM 1063 O GLY A 74 -8.836 16.609 -2.171 1.00 0.00 O ATOM 0 H GLY A 74 -7.857 14.712 1.413 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.280 16.212 0.463 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.984 17.373 0.252 1.00 0.00 H new ATOM 1067 N ALA A 75 -7.434 14.913 -1.728 1.00 0.00 N ATOM 1068 CA ALA A 75 -7.306 14.405 -3.093 1.00 0.00 C ATOM 1069 C ALA A 75 -7.268 12.867 -3.040 1.00 0.00 C ATOM 1070 O ALA A 75 -7.625 12.293 -2.006 1.00 0.00 O ATOM 1071 CB ALA A 75 -6.058 15.040 -3.718 1.00 0.00 C ATOM 0 H ALA A 75 -6.890 14.371 -1.057 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.153 14.673 -3.725 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.938 14.678 -4.739 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.168 16.124 -3.728 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.180 14.770 -3.132 1.00 0.00 H new ATOM 1077 N LEU A 76 -6.913 12.193 -4.140 1.00 0.00 N ATOM 1078 CA LEU A 76 -6.515 10.790 -4.130 1.00 0.00 C ATOM 1079 C LEU A 76 -4.986 10.710 -4.174 1.00 0.00 C ATOM 1080 O LEU A 76 -4.352 11.253 -5.088 1.00 0.00 O ATOM 1081 CB LEU A 76 -7.145 10.068 -5.327 1.00 0.00 C ATOM 1082 CG LEU A 76 -6.728 8.592 -5.488 1.00 0.00 C ATOM 1083 CD1 LEU A 76 -7.051 7.761 -4.244 1.00 0.00 C ATOM 1084 CD2 LEU A 76 -7.463 7.970 -6.675 1.00 0.00 C ATOM 0 H LEU A 76 -6.895 12.615 -5.069 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.865 10.301 -3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.230 10.116 -5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.881 10.606 -6.237 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.649 8.584 -5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.739 6.729 -4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.520 8.171 -3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.124 7.791 -4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.164 6.927 -6.783 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.538 8.023 -6.505 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.212 8.515 -7.585 1.00 0.00 H new ATOM 1096 N CYS A 77 -4.411 9.995 -3.207 1.00 0.00 N ATOM 1097 CA CYS A 77 -3.025 9.571 -3.188 1.00 0.00 C ATOM 1098 C CYS A 77 -2.961 8.183 -3.820 1.00 0.00 C ATOM 1099 O CYS A 77 -3.809 7.329 -3.543 1.00 0.00 O ATOM 1100 CB CYS A 77 -2.551 9.547 -1.722 1.00 0.00 C ATOM 1101 SG CYS A 77 -1.185 8.447 -1.389 1.00 0.00 S ATOM 0 H CYS A 77 -4.927 9.686 -2.383 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.377 10.246 -3.748 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -2.263 10.558 -1.432 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -3.391 9.261 -1.089 1.00 0.00 H new ATOM 0 HG CYS A 77 -0.333 9.038 -0.604 1.00 0.00 H new ATOM 1107 N ARG A 78 -1.915 7.929 -4.609 1.00 0.00 N ATOM 1108 CA ARG A 78 -1.493 6.579 -4.945 1.00 0.00 C ATOM 1109 C ARG A 78 0.019 6.550 -5.052 1.00 0.00 C ATOM 1110 O ARG A 78 0.575 7.278 -5.872 1.00 0.00 O ATOM 1111 CB ARG A 78 -2.171 6.103 -6.235 1.00 0.00 C ATOM 1112 CG ARG A 78 -1.773 4.664 -6.618 1.00 0.00 C ATOM 1113 CD ARG A 78 -0.695 4.590 -7.708 1.00 0.00 C ATOM 1114 NE ARG A 78 -1.210 5.106 -8.987 1.00 0.00 N ATOM 1115 CZ ARG A 78 -0.531 5.220 -10.131 1.00 0.00 C ATOM 1116 NH1 ARG A 78 0.760 4.910 -10.208 1.00 0.00 N ATOM 1117 NH2 ARG A 78 -1.185 5.652 -11.204 1.00 0.00 N ATOM 0 H ARG A 78 -1.340 8.658 -5.030 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.799 5.888 -4.159 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.253 6.157 -6.113 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.908 6.778 -7.050 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.413 4.147 -5.728 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.660 4.130 -6.960 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.178 5.167 -7.403 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.367 3.558 -7.832 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.184 5.407 -9.001 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.255 4.576 -9.381 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.256 5.006 -11.094 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.176 5.885 -11.138 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.696 5.751 -12.094 1.00 0.00 H new ATOM 1131 N CYS A 79 0.699 5.719 -4.271 1.00 0.00 N ATOM 1132 CA CYS A 79 2.118 5.486 -4.467 1.00 0.00 C ATOM 1133 C CYS A 79 2.325 4.061 -4.961 1.00 0.00 C ATOM 1134 O CYS A 79 1.418 3.223 -4.932 1.00 0.00 O ATOM 1135 CB CYS A 79 2.877 5.868 -3.189 1.00 0.00 C ATOM 1136 SG CYS A 79 4.622 6.254 -3.514 1.00 0.00 S ATOM 0 H CYS A 79 0.288 5.197 -3.497 1.00 0.00 H new ATOM 0 HA CYS A 79 2.538 6.123 -5.245 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.396 6.730 -2.727 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.816 5.048 -2.474 1.00 0.00 H new ATOM 0 HG CYS A 79 5.211 6.571 -2.399 1.00 0.00 H new ATOM 1142 N ASP A 80 3.534 3.813 -5.437 1.00 0.00 N ATOM 1143 CA ASP A 80 3.945 2.612 -6.134 1.00 0.00 C ATOM 1144 C ASP A 80 5.068 2.043 -5.268 1.00 0.00 C ATOM 1145 O ASP A 80 5.921 2.806 -4.806 1.00 0.00 O ATOM 1146 CB ASP A 80 4.517 2.988 -7.510 1.00 0.00 C ATOM 1147 CG ASP A 80 3.578 3.655 -8.539 1.00 0.00 C ATOM 1148 OD1 ASP A 80 2.608 4.372 -8.183 1.00 0.00 O ATOM 1149 OD2 ASP A 80 3.915 3.569 -9.747 1.00 0.00 O ATOM 0 H ASP A 80 4.296 4.484 -5.340 1.00 0.00 H new ATOM 0 HA ASP A 80 3.124 1.912 -6.286 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.360 3.659 -7.347 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.915 2.080 -7.963 1.00 0.00 H new ATOM 1154 N GLY A 81 5.070 0.751 -4.962 1.00 0.00 N ATOM 1155 CA GLY A 81 5.913 0.178 -3.910 1.00 0.00 C ATOM 1156 C GLY A 81 6.236 -1.296 -4.138 1.00 0.00 C ATOM 1157 O GLY A 81 6.053 -1.815 -5.243 1.00 0.00 O ATOM 0 H GLY A 81 4.485 0.064 -5.437 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.843 0.743 -3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.411 0.289 -2.949 1.00 0.00 H new ATOM 1161 N ARG A 82 6.772 -1.961 -3.110 1.00 0.00 N ATOM 1162 CA ARG A 82 7.080 -3.398 -3.090 1.00 0.00 C ATOM 1163 C ARG A 82 6.643 -3.966 -1.726 1.00 0.00 C ATOM 1164 O ARG A 82 6.353 -3.172 -0.830 1.00 0.00 O ATOM 1165 CB ARG A 82 8.591 -3.654 -3.244 1.00 0.00 C ATOM 1166 CG ARG A 82 9.324 -2.953 -4.396 1.00 0.00 C ATOM 1167 CD ARG A 82 8.892 -3.436 -5.784 1.00 0.00 C ATOM 1168 NE ARG A 82 9.923 -3.155 -6.788 1.00 0.00 N ATOM 1169 CZ ARG A 82 10.203 -1.997 -7.390 1.00 0.00 C ATOM 1170 NH1 ARG A 82 9.522 -0.892 -7.113 1.00 0.00 N ATOM 1171 NH2 ARG A 82 11.199 -1.962 -8.265 1.00 0.00 N ATOM 0 H ARG A 82 7.013 -1.497 -2.234 1.00 0.00 H new ATOM 0 HA ARG A 82 6.556 -3.874 -3.919 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.076 -3.363 -2.312 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.738 -4.728 -3.358 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.152 -1.879 -4.325 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.396 -3.112 -4.283 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.693 -4.507 -5.753 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.961 -2.947 -6.069 1.00 0.00 H new ATOM 0 HE ARG A 82 10.502 -3.948 -7.062 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.767 -0.917 -6.428 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.754 -0.018 -7.586 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.732 -2.808 -8.465 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.432 -1.089 -8.738 1.00 0.00 H new ATOM 1185 N VAL A 83 6.657 -5.292 -1.543 1.00 0.00 N ATOM 1186 CA VAL A 83 6.310 -5.959 -0.281 1.00 0.00 C ATOM 1187 C VAL A 83 7.294 -5.688 0.870 1.00 0.00 C ATOM 1188 O VAL A 83 6.869 -5.651 2.013 1.00 0.00 O ATOM 1189 CB VAL A 83 6.070 -7.462 -0.544 1.00 0.00 C ATOM 1190 CG1 VAL A 83 6.071 -8.342 0.706 1.00 0.00 C ATOM 1191 CG2 VAL A 83 4.706 -7.667 -1.215 1.00 0.00 C ATOM 0 H VAL A 83 6.915 -5.945 -2.283 1.00 0.00 H new ATOM 0 HA VAL A 83 5.382 -5.517 0.081 1.00 0.00 H new ATOM 0 HB VAL A 83 6.908 -7.763 -1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.895 -9.379 0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.036 -8.262 1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.283 -8.013 1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.546 -8.730 -1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.919 -7.288 -0.563 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.682 -7.130 -2.163 1.00 0.00 H new ATOM 1201 N GLU A 84 8.579 -5.456 0.615 1.00 0.00 N ATOM 1202 CA GLU A 84 9.644 -5.226 1.606 1.00 0.00 C ATOM 1203 C GLU A 84 10.010 -6.515 2.347 1.00 0.00 C ATOM 1204 O GLU A 84 11.131 -7.002 2.214 1.00 0.00 O ATOM 1205 CB GLU A 84 9.253 -4.087 2.568 1.00 0.00 C ATOM 1206 CG GLU A 84 10.384 -3.207 3.114 1.00 0.00 C ATOM 1207 CD GLU A 84 11.141 -3.709 4.348 1.00 0.00 C ATOM 1208 OE1 GLU A 84 10.712 -4.693 4.999 1.00 0.00 O ATOM 1209 OE2 GLU A 84 12.180 -3.083 4.668 1.00 0.00 O ATOM 0 H GLU A 84 8.932 -5.420 -0.341 1.00 0.00 H new ATOM 0 HA GLU A 84 10.543 -4.911 1.076 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.541 -3.441 2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.729 -4.527 3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.109 -3.056 2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.964 -2.230 3.352 1.00 0.00 H new ATOM 1216 N THR A 85 9.072 -7.061 3.116 1.00 0.00 N ATOM 1217 CA THR A 85 9.173 -8.276 3.903 1.00 0.00 C ATOM 1218 C THR A 85 7.772 -8.876 3.917 1.00 0.00 C ATOM 1219 O THR A 85 6.811 -8.205 4.305 1.00 0.00 O ATOM 1220 CB THR A 85 9.651 -7.940 5.329 1.00 0.00 C ATOM 1221 OG1 THR A 85 10.939 -7.339 5.347 1.00 0.00 O ATOM 1222 CG2 THR A 85 9.705 -9.173 6.236 1.00 0.00 C ATOM 0 H THR A 85 8.153 -6.628 3.209 1.00 0.00 H new ATOM 0 HA THR A 85 9.894 -8.979 3.486 1.00 0.00 H new ATOM 0 HB THR A 85 8.910 -7.235 5.705 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.878 -6.424 5.001 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.048 -8.880 7.228 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.711 -9.613 6.311 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.395 -9.904 5.815 1.00 0.00 H new ATOM 1230 N LEU A 86 7.638 -10.121 3.476 1.00 0.00 N ATOM 1231 CA LEU A 86 6.413 -10.874 3.687 1.00 0.00 C ATOM 1232 C LEU A 86 6.596 -11.669 4.969 1.00 0.00 C ATOM 1233 O LEU A 86 7.715 -12.068 5.289 1.00 0.00 O ATOM 1234 CB LEU A 86 6.154 -11.819 2.511 1.00 0.00 C ATOM 1235 CG LEU A 86 4.659 -12.171 2.364 1.00 0.00 C ATOM 1236 CD1 LEU A 86 3.995 -11.133 1.454 1.00 0.00 C ATOM 1237 CD2 LEU A 86 4.441 -13.559 1.761 1.00 0.00 C ATOM 0 H LEU A 86 8.364 -10.628 2.970 1.00 0.00 H new ATOM 0 HA LEU A 86 5.557 -10.203 3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.509 -11.356 1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.729 -12.735 2.649 1.00 0.00 H new ATOM 0 HG LEU A 86 4.220 -12.169 3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.937 -11.371 1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.099 -10.142 1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.475 -11.146 0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.372 -13.757 1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.894 -13.601 0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.901 -14.311 2.402 1.00 0.00 H new ATOM 1249 N ARG A 87 5.499 -11.960 5.658 1.00 0.00 N ATOM 1250 CA ARG A 87 5.503 -12.801 6.849 1.00 0.00 C ATOM 1251 C ARG A 87 4.610 -14.012 6.629 1.00 0.00 C ATOM 1252 O ARG A 87 5.053 -15.133 6.859 1.00 0.00 O ATOM 1253 CB ARG A 87 5.180 -11.936 8.082 1.00 0.00 C ATOM 1254 CG ARG A 87 4.715 -12.730 9.300 1.00 0.00 C ATOM 1255 CD ARG A 87 4.608 -11.883 10.575 1.00 0.00 C ATOM 1256 NE ARG A 87 3.488 -12.261 11.459 1.00 0.00 N ATOM 1257 CZ ARG A 87 3.219 -13.459 12.000 1.00 0.00 C ATOM 1258 NH1 ARG A 87 3.870 -14.563 11.653 1.00 0.00 N ATOM 1259 NH2 ARG A 87 2.273 -13.578 12.925 1.00 0.00 N ATOM 0 H ARG A 87 4.573 -11.616 5.403 1.00 0.00 H new ATOM 0 HA ARG A 87 6.488 -13.222 7.048 1.00 0.00 H new ATOM 0 HB2 ARG A 87 6.067 -11.364 8.353 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.406 -11.217 7.814 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.743 -13.174 9.085 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.409 -13.552 9.476 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.541 -11.966 11.133 1.00 0.00 H new ATOM 0 HD3 ARG A 87 4.497 -10.836 10.294 1.00 0.00 H new ATOM 0 HE ARG A 87 2.833 -11.514 11.689 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.607 -14.520 10.949 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.633 -15.454 12.090 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.748 -12.757 13.226 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.071 -14.490 13.334 1.00 0.00 H new ATOM 1273 N ASP A 88 3.399 -13.819 6.123 1.00 0.00 N ATOM 1274 CA ASP A 88 2.503 -14.887 5.676 1.00 0.00 C ATOM 1275 C ASP A 88 1.759 -14.377 4.450 1.00 0.00 C ATOM 1276 O ASP A 88 1.855 -13.193 4.117 1.00 0.00 O ATOM 1277 CB ASP A 88 1.511 -15.293 6.783 1.00 0.00 C ATOM 1278 CG ASP A 88 2.204 -16.027 7.925 1.00 0.00 C ATOM 1279 OD1 ASP A 88 2.343 -17.269 7.861 1.00 0.00 O ATOM 1280 OD2 ASP A 88 2.640 -15.345 8.877 1.00 0.00 O ATOM 0 H ASP A 88 2.998 -12.889 6.007 1.00 0.00 H new ATOM 0 HA ASP A 88 3.082 -15.778 5.433 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.016 -14.403 7.171 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.735 -15.931 6.359 1.00 0.00 H new ATOM 1285 N ASP A 89 0.947 -15.235 3.825 1.00 0.00 N ATOM 1286 CA ASP A 89 0.129 -14.893 2.649 1.00 0.00 C ATOM 1287 C ASP A 89 -0.761 -13.668 2.905 1.00 0.00 C ATOM 1288 O ASP A 89 -1.189 -13.007 1.962 1.00 0.00 O ATOM 1289 CB ASP A 89 -0.768 -16.077 2.232 1.00 0.00 C ATOM 1290 CG ASP A 89 0.000 -17.268 1.647 1.00 0.00 C ATOM 1291 OD1 ASP A 89 0.880 -17.083 0.782 1.00 0.00 O ATOM 1292 OD2 ASP A 89 -0.251 -18.416 2.109 1.00 0.00 O ATOM 0 H ASP A 89 0.835 -16.204 4.124 1.00 0.00 H new ATOM 0 HA ASP A 89 0.828 -14.660 1.846 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.333 -16.414 3.101 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.492 -15.729 1.496 1.00 0.00 H new ATOM 1297 N ARG A 90 -1.028 -13.344 4.178 1.00 0.00 N ATOM 1298 CA ARG A 90 -1.879 -12.229 4.577 1.00 0.00 C ATOM 1299 C ARG A 90 -1.302 -11.322 5.664 1.00 0.00 C ATOM 1300 O ARG A 90 -2.060 -10.546 6.242 1.00 0.00 O ATOM 1301 CB ARG A 90 -3.260 -12.733 4.965 1.00 0.00 C ATOM 1302 CG ARG A 90 -3.226 -13.623 6.202 1.00 0.00 C ATOM 1303 CD ARG A 90 -4.303 -13.237 7.232 1.00 0.00 C ATOM 1304 NE ARG A 90 -4.955 -14.407 7.832 1.00 0.00 N ATOM 1305 CZ ARG A 90 -5.782 -14.380 8.884 1.00 0.00 C ATOM 1306 NH1 ARG A 90 -5.914 -13.287 9.631 1.00 0.00 N ATOM 1307 NH2 ARG A 90 -6.521 -15.446 9.172 1.00 0.00 N ATOM 0 H ARG A 90 -0.648 -13.863 4.969 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.946 -11.590 3.697 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.916 -11.882 5.150 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.688 -13.290 4.132 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.368 -14.662 5.903 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.242 -13.557 6.667 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.849 -12.635 8.019 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.056 -12.614 6.749 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.762 -15.316 7.412 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.379 -12.448 9.406 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.550 -13.288 10.428 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.457 -16.283 8.592 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.152 -15.428 9.973 1.00 0.00 H new ATOM 1321 N GLN A 91 -0.029 -11.430 6.023 1.00 0.00 N ATOM 1322 CA GLN A 91 0.591 -10.574 7.019 1.00 0.00 C ATOM 1323 C GLN A 91 1.911 -10.180 6.403 1.00 0.00 C ATOM 1324 O GLN A 91 2.727 -11.050 6.096 1.00 0.00 O ATOM 1325 CB GLN A 91 0.822 -11.335 8.320 1.00 0.00 C ATOM 1326 CG GLN A 91 -0.480 -11.875 8.938 1.00 0.00 C ATOM 1327 CD GLN A 91 -0.329 -12.857 10.104 1.00 0.00 C ATOM 1328 OE1 GLN A 91 -1.201 -12.934 10.970 1.00 0.00 O ATOM 1329 NE2 GLN A 91 0.667 -13.729 10.110 1.00 0.00 N ATOM 0 H GLN A 91 0.606 -12.122 5.625 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.031 -9.715 7.269 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.501 -12.167 8.133 1.00 0.00 H new ATOM 0 HB3 GLN A 91 1.313 -10.677 9.037 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -1.072 -11.027 9.281 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.053 -12.366 8.151 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.396 -13.676 9.398 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.706 -14.454 10.826 1.00 0.00 H new ATOM 1338 N PHE A 92 2.071 -8.901 6.127 1.00 0.00 N ATOM 1339 CA PHE A 92 3.243 -8.413 5.405 1.00 0.00 C ATOM 1340 C PHE A 92 3.460 -6.906 5.527 1.00 0.00 C ATOM 1341 O PHE A 92 2.603 -6.167 6.019 1.00 0.00 O ATOM 1342 CB PHE A 92 3.159 -8.869 3.938 1.00 0.00 C ATOM 1343 CG PHE A 92 1.856 -8.604 3.203 1.00 0.00 C ATOM 1344 CD1 PHE A 92 1.574 -7.316 2.717 1.00 0.00 C ATOM 1345 CD2 PHE A 92 0.952 -9.657 2.946 1.00 0.00 C ATOM 1346 CE1 PHE A 92 0.413 -7.074 1.967 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -0.222 -9.418 2.209 1.00 0.00 C ATOM 1348 CZ PHE A 92 -0.490 -8.124 1.721 1.00 0.00 C ATOM 0 H PHE A 92 1.405 -8.174 6.390 1.00 0.00 H new ATOM 0 HA PHE A 92 4.124 -8.852 5.873 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.963 -8.382 3.386 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.353 -9.941 3.906 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.257 -6.505 2.923 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.162 -10.649 3.316 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.214 -6.086 1.580 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.915 -10.224 2.018 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.392 -7.938 1.156 1.00 0.00 H new ATOM 1358 N ALA A 93 4.641 -6.467 5.088 1.00 0.00 N ATOM 1359 CA ALA A 93 5.060 -5.081 5.004 1.00 0.00 C ATOM 1360 C ALA A 93 4.691 -4.472 3.644 1.00 0.00 C ATOM 1361 O ALA A 93 4.183 -5.159 2.760 1.00 0.00 O ATOM 1362 CB ALA A 93 6.574 -5.014 5.221 1.00 0.00 C ATOM 0 H ALA A 93 5.365 -7.110 4.766 1.00 0.00 H new ATOM 0 HA ALA A 93 4.545 -4.504 5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.905 -3.977 5.161 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.819 -5.416 6.204 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.078 -5.601 4.453 1.00 0.00 H new ATOM 1368 N ILE A 94 5.001 -3.186 3.455 1.00 0.00 N ATOM 1369 CA ILE A 94 5.277 -2.578 2.168 1.00 0.00 C ATOM 1370 C ILE A 94 6.371 -1.518 2.320 1.00 0.00 C ATOM 1371 O ILE A 94 6.415 -0.797 3.318 1.00 0.00 O ATOM 1372 CB ILE A 94 4.022 -1.944 1.547 1.00 0.00 C ATOM 1373 CG1 ILE A 94 3.212 -1.081 2.531 1.00 0.00 C ATOM 1374 CG2 ILE A 94 3.140 -3.000 0.876 1.00 0.00 C ATOM 1375 CD1 ILE A 94 2.162 -0.241 1.809 1.00 0.00 C ATOM 0 H ILE A 94 5.067 -2.523 4.228 1.00 0.00 H new ATOM 0 HA ILE A 94 5.614 -3.368 1.496 1.00 0.00 H new ATOM 0 HB ILE A 94 4.384 -1.258 0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.724 -1.724 3.263 1.00 0.00 H new ATOM 0 HG13 ILE A 94 3.887 -0.426 3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.261 -2.520 0.446 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.704 -3.497 0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.826 -3.736 1.616 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.610 0.355 2.536 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.653 0.421 1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.472 -0.898 1.279 1.00 0.00 H new ATOM 1387 N ARG A 95 7.212 -1.374 1.294 1.00 0.00 N ATOM 1388 CA ARG A 95 8.220 -0.324 1.141 1.00 0.00 C ATOM 1389 C ARG A 95 7.671 0.623 0.104 1.00 0.00 C ATOM 1390 O ARG A 95 7.413 0.215 -1.032 1.00 0.00 O ATOM 1391 CB ARG A 95 9.557 -0.921 0.662 1.00 0.00 C ATOM 1392 CG ARG A 95 10.771 -0.285 1.341 1.00 0.00 C ATOM 1393 CD ARG A 95 11.016 1.155 0.895 1.00 0.00 C ATOM 1394 NE ARG A 95 12.139 1.737 1.636 1.00 0.00 N ATOM 1395 CZ ARG A 95 12.717 2.914 1.369 1.00 0.00 C ATOM 1396 NH1 ARG A 95 12.234 3.718 0.419 1.00 0.00 N ATOM 1397 NH2 ARG A 95 13.765 3.290 2.091 1.00 0.00 N ATOM 0 H ARG A 95 7.208 -2.021 0.506 1.00 0.00 H new ATOM 0 HA ARG A 95 8.416 0.181 2.087 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.560 -1.994 0.855 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.641 -0.791 -0.417 1.00 0.00 H new ATOM 0 HG2 ARG A 95 10.629 -0.306 2.421 1.00 0.00 H new ATOM 0 HG3 ARG A 95 11.656 -0.883 1.124 1.00 0.00 H new ATOM 0 HD2 ARG A 95 11.226 1.180 -0.174 1.00 0.00 H new ATOM 0 HD3 ARG A 95 10.118 1.750 1.058 1.00 0.00 H new ATOM 0 HE ARG A 95 12.511 1.200 2.420 1.00 0.00 H new ATOM 0 HH11 ARG A 95 11.412 3.438 -0.116 1.00 0.00 H new ATOM 0 HH12 ARG A 95 12.687 4.612 0.229 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.116 2.685 2.834 1.00 0.00 H new ATOM 0 HH22 ARG A 95 14.220 4.184 1.903 1.00 0.00 H new ATOM 1411 N LEU A 96 7.490 1.872 0.508 1.00 0.00 N ATOM 1412 CA LEU A 96 7.107 2.915 -0.416 1.00 0.00 C ATOM 1413 C LEU A 96 8.389 3.416 -1.079 1.00 0.00 C ATOM 1414 O LEU A 96 9.418 3.565 -0.406 1.00 0.00 O ATOM 1415 CB LEU A 96 6.371 4.054 0.307 1.00 0.00 C ATOM 1416 CG LEU A 96 5.158 3.730 1.212 1.00 0.00 C ATOM 1417 CD1 LEU A 96 4.283 2.584 0.710 1.00 0.00 C ATOM 1418 CD2 LEU A 96 5.568 3.460 2.662 1.00 0.00 C ATOM 0 H LEU A 96 7.604 2.182 1.473 1.00 0.00 H new ATOM 0 HA LEU A 96 6.414 2.530 -1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.104 4.578 0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.031 4.757 -0.454 1.00 0.00 H new ATOM 0 HG LEU A 96 4.554 4.636 1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.458 2.425 1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.887 2.833 -0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.879 1.674 0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.681 3.238 3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.249 2.610 2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.066 4.340 3.069 1.00 0.00 H new ATOM 1430 N VAL A 97 8.347 3.664 -2.386 1.00 0.00 N ATOM 1431 CA VAL A 97 9.482 4.161 -3.159 1.00 0.00 C ATOM 1432 C VAL A 97 9.040 5.331 -4.036 1.00 0.00 C ATOM 1433 O VAL A 97 7.846 5.547 -4.245 1.00 0.00 O ATOM 1434 CB VAL A 97 10.121 3.017 -3.978 1.00 0.00 C ATOM 1435 CG1 VAL A 97 10.698 1.912 -3.079 1.00 0.00 C ATOM 1436 CG2 VAL A 97 9.187 2.376 -5.011 1.00 0.00 C ATOM 0 H VAL A 97 7.507 3.522 -2.948 1.00 0.00 H new ATOM 0 HA VAL A 97 10.251 4.532 -2.482 1.00 0.00 H new ATOM 0 HB VAL A 97 10.925 3.509 -4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 97 11.136 1.130 -3.699 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.466 2.334 -2.431 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.902 1.487 -2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.718 1.584 -5.539 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.318 1.956 -4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.860 3.132 -5.725 1.00 0.00 H new ATOM 1446 N GLY A 98 10.002 6.089 -4.563 1.00 0.00 N ATOM 1447 CA GLY A 98 9.787 7.041 -5.645 1.00 0.00 C ATOM 1448 C GLY A 98 8.990 8.285 -5.273 1.00 0.00 C ATOM 1449 O GLY A 98 8.642 9.049 -6.174 1.00 0.00 O ATOM 0 H GLY A 98 10.969 6.055 -4.241 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.758 7.354 -6.029 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.272 6.530 -6.459 1.00 0.00 H new ATOM 1453 N ARG A 99 8.711 8.490 -3.977 1.00 0.00 N ATOM 1454 CA ARG A 99 7.865 9.543 -3.402 1.00 0.00 C ATOM 1455 C ARG A 99 6.406 9.426 -3.873 1.00 0.00 C ATOM 1456 O ARG A 99 6.093 9.071 -5.004 1.00 0.00 O ATOM 1457 CB ARG A 99 8.521 10.919 -3.665 1.00 0.00 C ATOM 1458 CG ARG A 99 7.718 12.191 -3.364 1.00 0.00 C ATOM 1459 CD ARG A 99 7.500 12.479 -1.874 1.00 0.00 C ATOM 1460 NE ARG A 99 7.639 13.914 -1.572 1.00 0.00 N ATOM 1461 CZ ARG A 99 6.823 14.909 -1.943 1.00 0.00 C ATOM 1462 NH1 ARG A 99 5.654 14.687 -2.532 1.00 0.00 N ATOM 1463 NH2 ARG A 99 7.174 16.164 -1.727 1.00 0.00 N ATOM 0 H ARG A 99 9.098 7.882 -3.255 1.00 0.00 H new ATOM 0 HA ARG A 99 7.801 9.423 -2.321 1.00 0.00 H new ATOM 0 HB2 ARG A 99 9.440 10.963 -3.081 1.00 0.00 H new ATOM 0 HB3 ARG A 99 8.809 10.952 -4.716 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.231 13.042 -3.812 1.00 0.00 H new ATOM 0 HG3 ARG A 99 6.746 12.113 -3.850 1.00 0.00 H new ATOM 0 HD2 ARG A 99 6.507 12.139 -1.579 1.00 0.00 H new ATOM 0 HD3 ARG A 99 8.220 11.911 -1.284 1.00 0.00 H new ATOM 0 HE ARG A 99 8.451 14.181 -1.016 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.349 13.731 -2.717 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.061 15.472 -2.800 1.00 0.00 H new ATOM 0 HH21 ARG A 99 8.066 16.374 -1.278 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.554 16.923 -2.009 1.00 0.00 H new ATOM 1477 N VAL A 100 5.494 9.728 -2.957 1.00 0.00 N ATOM 1478 CA VAL A 100 4.059 9.894 -3.196 1.00 0.00 C ATOM 1479 C VAL A 100 3.730 11.351 -3.393 1.00 0.00 C ATOM 1480 O VAL A 100 4.411 12.211 -2.829 1.00 0.00 O ATOM 1481 CB VAL A 100 3.251 9.286 -2.045 1.00 0.00 C ATOM 1482 CG1 VAL A 100 3.798 9.551 -0.633 1.00 0.00 C ATOM 1483 CG2 VAL A 100 1.736 9.108 -2.347 1.00 0.00 C ATOM 0 H VAL A 100 5.744 9.872 -1.978 1.00 0.00 H new ATOM 0 HA VAL A 100 3.786 9.363 -4.108 1.00 0.00 H new ATOM 0 HB VAL A 100 3.465 8.219 -1.982 1.00 0.00 H new ATOM 0 HG11 VAL A 100 3.150 9.076 0.103 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.804 9.140 -0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.828 10.625 -0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.241 8.672 -1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.293 10.079 -2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.611 8.448 -3.206 1.00 0.00 H new ATOM 1493 N ARG A 101 2.643 11.614 -4.103 1.00 0.00 N ATOM 1494 CA ARG A 101 1.949 12.888 -4.139 1.00 0.00 C ATOM 1495 C ARG A 101 0.479 12.586 -4.409 1.00 0.00 C ATOM 1496 O ARG A 101 0.049 11.432 -4.347 1.00 0.00 O ATOM 1497 CB ARG A 101 2.590 13.835 -5.172 1.00 0.00 C ATOM 1498 CG ARG A 101 2.905 13.161 -6.515 1.00 0.00 C ATOM 1499 CD ARG A 101 3.041 14.216 -7.606 1.00 0.00 C ATOM 1500 NE ARG A 101 3.800 13.710 -8.749 1.00 0.00 N ATOM 1501 CZ ARG A 101 4.185 14.433 -9.801 1.00 0.00 C ATOM 1502 NH1 ARG A 101 3.889 15.728 -9.875 1.00 0.00 N ATOM 1503 NH2 ARG A 101 4.856 13.837 -10.774 1.00 0.00 N ATOM 0 H ARG A 101 2.202 10.911 -4.696 1.00 0.00 H new ATOM 0 HA ARG A 101 2.030 13.420 -3.191 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.919 14.676 -5.346 1.00 0.00 H new ATOM 0 HB3 ARG A 101 3.511 14.243 -4.755 1.00 0.00 H new ATOM 0 HG2 ARG A 101 3.828 12.586 -6.436 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.113 12.458 -6.774 1.00 0.00 H new ATOM 0 HD2 ARG A 101 2.051 14.530 -7.936 1.00 0.00 H new ATOM 0 HD3 ARG A 101 3.536 15.098 -7.201 1.00 0.00 H new ATOM 0 HE ARG A 101 4.056 12.723 -8.741 1.00 0.00 H new ATOM 0 HH11 ARG A 101 3.364 16.175 -9.123 1.00 0.00 H new ATOM 0 HH12 ARG A 101 4.187 16.274 -10.683 1.00 0.00 H new ATOM 0 HH21 ARG A 101 5.070 12.842 -10.711 1.00 0.00 H new ATOM 0 HH22 ARG A 101 5.159 14.373 -11.587 1.00 0.00 H new ATOM 1517 N GLU A 102 -0.292 13.628 -4.664 1.00 0.00 N ATOM 1518 CA GLU A 102 -1.701 13.628 -4.975 1.00 0.00 C ATOM 1519 C GLU A 102 -1.793 13.690 -6.501 1.00 0.00 C ATOM 1520 O GLU A 102 -1.262 14.629 -7.105 1.00 0.00 O ATOM 1521 CB GLU A 102 -2.352 14.873 -4.335 1.00 0.00 C ATOM 1522 CG GLU A 102 -2.089 15.056 -2.824 1.00 0.00 C ATOM 1523 CD GLU A 102 -0.662 15.504 -2.451 1.00 0.00 C ATOM 1524 OE1 GLU A 102 0.073 16.004 -3.338 1.00 0.00 O ATOM 1525 OE2 GLU A 102 -0.231 15.318 -1.293 1.00 0.00 O ATOM 0 H GLU A 102 0.089 14.574 -4.657 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.216 12.747 -4.593 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.993 15.759 -4.859 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.429 14.822 -4.495 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.795 15.790 -2.436 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.299 14.113 -2.319 1.00 0.00 H new ATOM 1532 N LEU A 103 -2.428 12.709 -7.145 1.00 0.00 N ATOM 1533 CA LEU A 103 -2.430 12.550 -8.603 1.00 0.00 C ATOM 1534 C LEU A 103 -3.826 12.483 -9.226 1.00 0.00 C ATOM 1535 O LEU A 103 -3.951 12.557 -10.449 1.00 0.00 O ATOM 1536 CB LEU A 103 -1.532 11.392 -9.078 1.00 0.00 C ATOM 1537 CG LEU A 103 -1.624 10.050 -8.335 1.00 0.00 C ATOM 1538 CD1 LEU A 103 -0.738 10.078 -7.098 1.00 0.00 C ATOM 1539 CD2 LEU A 103 -3.041 9.637 -7.944 1.00 0.00 C ATOM 0 H LEU A 103 -2.965 11.990 -6.661 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.989 13.474 -8.978 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.755 11.207 -10.129 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.497 11.731 -9.027 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.278 9.298 -9.044 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -0.809 9.123 -6.578 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.296 10.253 -7.395 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.065 10.878 -6.434 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.011 8.679 -7.425 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.472 10.392 -7.287 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -3.654 9.544 -8.841 1.00 0.00 H new ATOM 1551 N GLN A 104 -4.876 12.365 -8.417 1.00 0.00 N ATOM 1552 CA GLN A 104 -6.265 12.410 -8.840 1.00 0.00 C ATOM 1553 C GLN A 104 -7.042 13.225 -7.813 1.00 0.00 C ATOM 1554 O GLN A 104 -6.563 13.453 -6.702 1.00 0.00 O ATOM 1555 CB GLN A 104 -6.815 10.978 -8.967 1.00 0.00 C ATOM 1556 CG GLN A 104 -6.735 10.396 -10.380 1.00 0.00 C ATOM 1557 CD GLN A 104 -5.559 9.440 -10.603 1.00 0.00 C ATOM 1558 OE1 GLN A 104 -5.554 8.291 -10.166 1.00 0.00 O ATOM 1559 NE2 GLN A 104 -4.505 9.893 -11.260 1.00 0.00 N ATOM 0 H GLN A 104 -4.774 12.230 -7.411 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.364 12.882 -9.817 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.264 10.328 -8.287 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -7.855 10.971 -8.642 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -7.664 9.867 -10.596 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.662 11.216 -11.094 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -4.502 10.845 -11.625 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -3.694 9.290 -11.402 1.00 0.00 H new ATOM 1568 N ARG A 105 -8.247 13.675 -8.163 1.00 0.00 N ATOM 1569 CA ARG A 105 -9.122 14.446 -7.281 1.00 0.00 C ATOM 1570 C ARG A 105 -10.534 13.884 -7.394 1.00 0.00 C ATOM 1571 O ARG A 105 -10.773 13.010 -8.227 1.00 0.00 O ATOM 1572 CB ARG A 105 -9.090 15.942 -7.640 1.00 0.00 C ATOM 1573 CG ARG A 105 -7.703 16.599 -7.563 1.00 0.00 C ATOM 1574 CD ARG A 105 -7.017 16.732 -8.927 1.00 0.00 C ATOM 1575 NE ARG A 105 -5.743 17.449 -8.801 1.00 0.00 N ATOM 1576 CZ ARG A 105 -5.528 18.770 -8.782 1.00 0.00 C ATOM 1577 NH1 ARG A 105 -6.519 19.647 -8.930 1.00 0.00 N ATOM 1578 NH2 ARG A 105 -4.301 19.220 -8.561 1.00 0.00 N ATOM 0 H ARG A 105 -8.650 13.510 -9.086 1.00 0.00 H new ATOM 0 HA ARG A 105 -8.775 14.360 -6.251 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -9.478 16.066 -8.651 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -9.766 16.475 -6.971 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -7.802 17.588 -7.116 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -7.067 16.012 -6.900 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -6.842 15.742 -9.349 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -7.672 17.263 -9.618 1.00 0.00 H new ATOM 0 HE ARG A 105 -4.912 16.864 -8.717 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -7.475 19.318 -9.063 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -6.322 20.648 -8.911 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -3.536 18.562 -8.408 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -4.121 20.224 -8.544 1.00 0.00 H new ATOM 1592 N ARG A 106 -11.456 14.350 -6.553 1.00 0.00 N ATOM 1593 CA ARG A 106 -12.847 13.912 -6.596 1.00 0.00 C ATOM 1594 C ARG A 106 -13.485 14.326 -7.918 1.00 0.00 C ATOM 1595 O ARG A 106 -12.964 15.178 -8.643 1.00 0.00 O ATOM 1596 CB ARG A 106 -13.626 14.514 -5.413 1.00 0.00 C ATOM 1597 CG ARG A 106 -13.159 13.952 -4.065 1.00 0.00 C ATOM 1598 CD ARG A 106 -13.840 14.672 -2.898 1.00 0.00 C ATOM 1599 NE ARG A 106 -13.101 15.884 -2.509 1.00 0.00 N ATOM 1600 CZ ARG A 106 -13.060 16.377 -1.265 1.00 0.00 C ATOM 1601 NH1 ARG A 106 -13.916 15.958 -0.338 1.00 0.00 N ATOM 1602 NH2 ARG A 106 -12.146 17.284 -0.952 1.00 0.00 N ATOM 0 H ARG A 106 -11.260 15.038 -5.827 1.00 0.00 H new ATOM 0 HA ARG A 106 -12.880 12.825 -6.518 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -13.505 15.597 -5.414 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -14.690 14.312 -5.540 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -13.380 12.886 -4.017 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -12.078 14.057 -3.979 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -14.859 14.940 -3.179 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -13.911 13.998 -2.044 1.00 0.00 H new ATOM 0 HE ARG A 106 -12.586 16.381 -3.235 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -14.615 15.253 -0.571 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -13.874 16.342 0.606 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -11.480 17.602 -1.657 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -12.108 17.665 -0.006 1.00 0.00 H new ATOM 1616 N GLU A 107 -14.673 13.799 -8.182 1.00 0.00 N ATOM 1617 CA GLU A 107 -15.582 14.311 -9.189 1.00 0.00 C ATOM 1618 C GLU A 107 -16.758 14.967 -8.466 1.00 0.00 C ATOM 1619 O GLU A 107 -17.917 14.576 -8.617 1.00 0.00 O ATOM 1620 CB GLU A 107 -15.978 13.209 -10.175 1.00 0.00 C ATOM 1621 CG GLU A 107 -16.658 13.838 -11.397 1.00 0.00 C ATOM 1622 CD GLU A 107 -17.001 12.780 -12.433 1.00 0.00 C ATOM 1623 OE1 GLU A 107 -16.082 12.360 -13.177 1.00 0.00 O ATOM 1624 OE2 GLU A 107 -18.191 12.381 -12.491 1.00 0.00 O ATOM 0 H GLU A 107 -15.037 12.984 -7.688 1.00 0.00 H new ATOM 0 HA GLU A 107 -15.107 15.072 -9.808 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -15.096 12.649 -10.484 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -16.653 12.501 -9.694 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -17.565 14.356 -11.086 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -16.000 14.586 -11.839 1.00 0.00 H new ATOM 1631 N TYR A 108 -16.446 15.999 -7.672 1.00 0.00 N ATOM 1632 CA TYR A 108 -17.433 16.895 -7.070 1.00 0.00 C ATOM 1633 C TYR A 108 -18.494 16.125 -6.248 1.00 0.00 C ATOM 1634 O TYR A 108 -19.665 16.515 -6.217 1.00 0.00 O ATOM 1635 CB TYR A 108 -18.030 17.793 -8.180 1.00 0.00 C ATOM 1636 CG TYR A 108 -17.021 18.554 -9.033 1.00 0.00 C ATOM 1637 CD1 TYR A 108 -16.402 17.935 -10.139 1.00 0.00 C ATOM 1638 CD2 TYR A 108 -16.734 19.901 -8.753 1.00 0.00 C ATOM 1639 CE1 TYR A 108 -15.457 18.632 -10.913 1.00 0.00 C ATOM 1640 CE2 TYR A 108 -15.835 20.619 -9.558 1.00 0.00 C ATOM 1641 CZ TYR A 108 -15.169 19.985 -10.630 1.00 0.00 C ATOM 1642 OH TYR A 108 -14.276 20.693 -11.378 1.00 0.00 O ATOM 0 H TYR A 108 -15.484 16.236 -7.428 1.00 0.00 H new ATOM 0 HA TYR A 108 -16.948 17.543 -6.340 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -18.637 17.170 -8.838 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -18.702 18.515 -7.715 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -16.656 16.917 -10.394 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -17.208 20.387 -7.913 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -14.951 18.132 -11.725 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -15.651 21.664 -9.356 1.00 0.00 H new ATOM 0 HH TYR A 108 -14.211 21.607 -11.032 1.00 0.00 H new ATOM 1652 N PHE A 109 -18.123 14.981 -5.658 1.00 0.00 N ATOM 1653 CA PHE A 109 -18.903 14.243 -4.668 1.00 0.00 C ATOM 1654 C PHE A 109 -18.426 14.738 -3.314 1.00 0.00 C ATOM 1655 O PHE A 109 -19.210 15.434 -2.629 1.00 0.00 O ATOM 1656 CB PHE A 109 -18.654 12.725 -4.770 1.00 0.00 C ATOM 1657 CG PHE A 109 -19.520 11.876 -5.679 1.00 0.00 C ATOM 1658 CD1 PHE A 109 -19.998 12.365 -6.908 1.00 0.00 C ATOM 1659 CD2 PHE A 109 -19.745 10.527 -5.335 1.00 0.00 C ATOM 1660 CE1 PHE A 109 -20.698 11.514 -7.781 1.00 0.00 C ATOM 1661 CE2 PHE A 109 -20.439 9.674 -6.210 1.00 0.00 C ATOM 1662 CZ PHE A 109 -20.918 10.169 -7.435 1.00 0.00 C ATOM 0 H PHE A 109 -17.233 14.529 -5.870 1.00 0.00 H new ATOM 0 HA PHE A 109 -19.970 14.405 -4.824 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -17.620 12.586 -5.085 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -18.739 12.314 -3.764 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -19.827 13.396 -7.181 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -19.381 10.147 -4.392 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -21.068 11.895 -8.721 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -20.604 8.641 -5.942 1.00 0.00 H new ATOM 0 HZ PHE A 109 -21.454 9.518 -8.109 1.00 0.00 H new TER 1672 PHE A 109