USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 292 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : X 16 GLN : amide:sc= -0.0182 K(o=-0.018,f=-1.5!) USER MOD Single : X 25 TYR OH : rot 180:sc= 0 USER MOD Single : X 52 SER OG : rot 180:sc= 0 USER MOD Single : X 60 MET CE :methyl 144:sc= -2.53 (180deg=-3.68!) USER MOD Single : X 61 TYR OH : rot 80:sc= 1.46 USER MOD ----------------------------------------------------------------- ATOM 60 N LEU X 6 35.057 -10.037 17.472 1.00 0.00 N ATOM 61 CA LEU X 6 34.069 -9.688 16.457 1.00 0.00 C ATOM 62 C LEU X 6 34.690 -9.755 15.067 1.00 0.00 C ATOM 63 O LEU X 6 35.699 -9.103 14.795 1.00 0.00 O ATOM 64 CB LEU X 6 33.543 -8.274 16.715 1.00 0.00 C ATOM 65 CG LEU X 6 32.923 -8.204 18.112 1.00 0.00 C ATOM 66 CD1 LEU X 6 32.532 -6.760 18.425 1.00 0.00 C ATOM 67 CD2 LEU X 6 31.673 -9.089 18.159 1.00 0.00 C ATOM 0 HA LEU X 6 33.245 -10.400 16.510 1.00 0.00 H new ATOM 0 HB2 LEU X 6 34.355 -7.552 16.630 1.00 0.00 H new ATOM 0 HB3 LEU X 6 32.800 -8.009 15.963 1.00 0.00 H new ATOM 0 HG LEU X 6 33.647 -8.553 18.848 1.00 0.00 H new ATOM 0 HD11 LEU X 6 32.090 -6.710 19.420 1.00 0.00 H new ATOM 0 HD12 LEU X 6 33.419 -6.127 18.389 1.00 0.00 H new ATOM 0 HD13 LEU X 6 31.808 -6.411 17.689 1.00 0.00 H new ATOM 0 HD21 LEU X 6 31.230 -9.040 19.154 1.00 0.00 H new ATOM 0 HD22 LEU X 6 30.951 -8.738 17.422 1.00 0.00 H new ATOM 0 HD23 LEU X 6 31.948 -10.120 17.934 1.00 0.00 H new ATOM 79 N CYS X 7 34.080 -10.544 14.189 1.00 0.00 N ATOM 80 CA CYS X 7 34.583 -10.682 12.827 1.00 0.00 C ATOM 81 C CYS X 7 33.511 -11.277 11.919 1.00 0.00 C ATOM 82 O CYS X 7 32.856 -12.257 12.278 1.00 0.00 O ATOM 83 CB CYS X 7 35.820 -11.582 12.819 1.00 0.00 C ATOM 84 SG CYS X 7 36.619 -11.499 11.197 1.00 0.00 S ATOM 0 H CYS X 7 33.245 -11.093 14.393 1.00 0.00 H new ATOM 0 HA CYS X 7 34.850 -9.693 12.454 1.00 0.00 H new ATOM 0 HB2 CYS X 7 36.517 -11.267 13.596 1.00 0.00 H new ATOM 0 HB3 CYS X 7 35.536 -12.610 13.044 1.00 0.00 H new ATOM 89 N GLY X 8 33.338 -10.686 10.742 1.00 0.00 N ATOM 90 CA GLY X 8 32.342 -11.171 9.795 1.00 0.00 C ATOM 91 C GLY X 8 31.119 -10.262 9.779 1.00 0.00 C ATOM 92 O GLY X 8 31.231 -9.050 9.965 1.00 0.00 O ATOM 0 H GLY X 8 33.870 -9.877 10.423 1.00 0.00 H new ATOM 0 HA2 GLY X 8 32.777 -11.220 8.797 1.00 0.00 H new ATOM 0 HA3 GLY X 8 32.043 -12.185 10.062 1.00 0.00 H new ATOM 96 N ALA X 9 29.952 -10.857 9.554 1.00 0.00 N ATOM 97 CA ALA X 9 28.711 -10.098 9.516 1.00 0.00 C ATOM 98 C ALA X 9 28.458 -9.423 10.858 1.00 0.00 C ATOM 99 O ALA X 9 27.962 -8.303 10.910 1.00 0.00 O ATOM 100 CB ALA X 9 27.535 -11.015 9.182 1.00 0.00 C ATOM 0 H ALA X 9 29.842 -11.859 9.396 1.00 0.00 H new ATOM 0 HA ALA X 9 28.804 -9.336 8.742 1.00 0.00 H new ATOM 0 HB1 ALA X 9 26.614 -10.432 9.158 1.00 0.00 H new ATOM 0 HB2 ALA X 9 27.698 -11.476 8.208 1.00 0.00 H new ATOM 0 HB3 ALA X 9 27.452 -11.792 9.942 1.00 0.00 H new ATOM 106 N GLU X 10 28.791 -10.118 11.941 1.00 0.00 N ATOM 107 CA GLU X 10 28.580 -9.571 13.275 1.00 0.00 C ATOM 108 C GLU X 10 29.365 -8.278 13.456 1.00 0.00 C ATOM 109 O GLU X 10 28.846 -7.296 13.988 1.00 0.00 O ATOM 110 CB GLU X 10 29.037 -10.589 14.326 1.00 0.00 C ATOM 111 CG GLU X 10 28.072 -11.775 14.347 1.00 0.00 C ATOM 112 CD GLU X 10 28.614 -12.874 15.256 1.00 0.00 C ATOM 113 OE1 GLU X 10 29.777 -12.796 15.618 1.00 0.00 O ATOM 114 OE2 GLU X 10 27.858 -13.775 15.577 1.00 0.00 O ATOM 0 H GLU X 10 29.203 -11.051 11.922 1.00 0.00 H new ATOM 0 HA GLU X 10 27.518 -9.360 13.398 1.00 0.00 H new ATOM 0 HB2 GLU X 10 30.046 -10.933 14.099 1.00 0.00 H new ATOM 0 HB3 GLU X 10 29.074 -10.120 15.309 1.00 0.00 H new ATOM 0 HG2 GLU X 10 27.093 -11.451 14.699 1.00 0.00 H new ATOM 0 HG3 GLU X 10 27.936 -12.161 13.337 1.00 0.00 H new ATOM 121 N LEU X 11 30.614 -8.277 13.006 1.00 0.00 N ATOM 122 CA LEU X 11 31.451 -7.088 13.126 1.00 0.00 C ATOM 123 C LEU X 11 30.857 -5.932 12.326 1.00 0.00 C ATOM 124 O LEU X 11 30.743 -4.811 12.822 1.00 0.00 O ATOM 125 CB LEU X 11 32.863 -7.392 12.625 1.00 0.00 C ATOM 126 CG LEU X 11 33.732 -6.134 12.723 1.00 0.00 C ATOM 127 CD1 LEU X 11 33.831 -5.688 14.186 1.00 0.00 C ATOM 128 CD2 LEU X 11 35.134 -6.441 12.188 1.00 0.00 C ATOM 0 H LEU X 11 31.066 -9.075 12.560 1.00 0.00 H new ATOM 0 HA LEU X 11 31.495 -6.800 14.176 1.00 0.00 H new ATOM 0 HB2 LEU X 11 33.303 -8.196 13.216 1.00 0.00 H new ATOM 0 HB3 LEU X 11 32.825 -7.739 11.592 1.00 0.00 H new ATOM 0 HG LEU X 11 33.281 -5.337 12.132 1.00 0.00 H new ATOM 0 HD11 LEU X 11 34.450 -4.793 14.252 1.00 0.00 H new ATOM 0 HD12 LEU X 11 32.834 -5.469 14.568 1.00 0.00 H new ATOM 0 HD13 LEU X 11 34.280 -6.484 14.780 1.00 0.00 H new ATOM 0 HD21 LEU X 11 35.754 -5.547 12.257 1.00 0.00 H new ATOM 0 HD22 LEU X 11 35.582 -7.240 12.779 1.00 0.00 H new ATOM 0 HD23 LEU X 11 35.065 -6.755 11.147 1.00 0.00 H new ATOM 140 N VAL X 12 30.473 -6.213 11.085 1.00 0.00 N ATOM 141 CA VAL X 12 29.887 -5.188 10.227 1.00 0.00 C ATOM 142 C VAL X 12 28.593 -4.660 10.830 1.00 0.00 C ATOM 143 O VAL X 12 28.347 -3.453 10.853 1.00 0.00 O ATOM 144 CB VAL X 12 29.616 -5.768 8.838 1.00 0.00 C ATOM 145 CG1 VAL X 12 28.691 -4.829 8.061 1.00 0.00 C ATOM 146 CG2 VAL X 12 30.944 -5.894 8.080 1.00 0.00 C ATOM 0 H VAL X 12 30.556 -7.133 10.653 1.00 0.00 H new ATOM 0 HA VAL X 12 30.592 -4.361 10.142 1.00 0.00 H new ATOM 0 HB VAL X 12 29.145 -6.746 8.939 1.00 0.00 H new ATOM 0 HG11 VAL X 12 28.499 -5.244 7.072 1.00 0.00 H new ATOM 0 HG12 VAL X 12 27.749 -4.720 8.598 1.00 0.00 H new ATOM 0 HG13 VAL X 12 29.165 -3.853 7.959 1.00 0.00 H new ATOM 0 HG21 VAL X 12 30.759 -6.307 7.088 1.00 0.00 H new ATOM 0 HG22 VAL X 12 31.403 -4.910 7.984 1.00 0.00 H new ATOM 0 HG23 VAL X 12 31.615 -6.555 8.629 1.00 0.00 H new ATOM 156 N ASP X 13 27.769 -5.579 11.321 1.00 0.00 N ATOM 157 CA ASP X 13 26.499 -5.209 11.928 1.00 0.00 C ATOM 158 C ASP X 13 26.732 -4.332 13.154 1.00 0.00 C ATOM 159 O ASP X 13 25.999 -3.373 13.393 1.00 0.00 O ATOM 160 CB ASP X 13 25.721 -6.467 12.328 1.00 0.00 C ATOM 161 CG ASP X 13 25.188 -7.171 11.086 1.00 0.00 C ATOM 162 OD1 ASP X 13 25.228 -6.570 10.025 1.00 0.00 O ATOM 163 OD2 ASP X 13 24.745 -8.299 11.217 1.00 0.00 O ATOM 0 H ASP X 13 27.958 -6.581 11.310 1.00 0.00 H new ATOM 0 HA ASP X 13 25.916 -4.646 11.199 1.00 0.00 H new ATOM 0 HB2 ASP X 13 26.369 -7.142 12.888 1.00 0.00 H new ATOM 0 HB3 ASP X 13 24.895 -6.199 12.986 1.00 0.00 H new ATOM 168 N ALA X 14 27.761 -4.667 13.927 1.00 0.00 N ATOM 169 CA ALA X 14 28.083 -3.902 15.124 1.00 0.00 C ATOM 170 C ALA X 14 28.411 -2.459 14.760 1.00 0.00 C ATOM 171 O ALA X 14 28.016 -1.533 15.465 1.00 0.00 O ATOM 172 CB ALA X 14 29.276 -4.532 15.842 1.00 0.00 C ATOM 0 H ALA X 14 28.381 -5.457 13.747 1.00 0.00 H new ATOM 0 HA ALA X 14 27.216 -3.913 15.785 1.00 0.00 H new ATOM 0 HB1 ALA X 14 29.510 -3.953 16.736 1.00 0.00 H new ATOM 0 HB2 ALA X 14 29.031 -5.555 16.126 1.00 0.00 H new ATOM 0 HB3 ALA X 14 30.140 -4.537 15.177 1.00 0.00 H new ATOM 178 N LEU X 15 29.130 -2.275 13.656 1.00 0.00 N ATOM 179 CA LEU X 15 29.493 -0.934 13.211 1.00 0.00 C ATOM 180 C LEU X 15 28.250 -0.117 12.890 1.00 0.00 C ATOM 181 O LEU X 15 28.163 1.058 13.238 1.00 0.00 O ATOM 182 CB LEU X 15 30.385 -1.024 11.971 1.00 0.00 C ATOM 183 CG LEU X 15 31.771 -1.530 12.371 1.00 0.00 C ATOM 184 CD1 LEU X 15 32.558 -1.915 11.116 1.00 0.00 C ATOM 185 CD2 LEU X 15 32.519 -0.412 13.111 1.00 0.00 C ATOM 0 H LEU X 15 29.470 -3.029 13.059 1.00 0.00 H new ATOM 0 HA LEU X 15 30.036 -0.438 14.016 1.00 0.00 H new ATOM 0 HB2 LEU X 15 29.939 -1.696 11.238 1.00 0.00 H new ATOM 0 HB3 LEU X 15 30.467 -0.045 11.498 1.00 0.00 H new ATOM 0 HG LEU X 15 31.669 -2.401 13.018 1.00 0.00 H new ATOM 0 HD11 LEU X 15 33.546 -2.276 11.402 1.00 0.00 H new ATOM 0 HD12 LEU X 15 32.026 -2.701 10.580 1.00 0.00 H new ATOM 0 HD13 LEU X 15 32.663 -1.043 10.471 1.00 0.00 H new ATOM 0 HD21 LEU X 15 33.509 -0.766 13.400 1.00 0.00 H new ATOM 0 HD22 LEU X 15 32.620 0.454 12.456 1.00 0.00 H new ATOM 0 HD23 LEU X 15 31.960 -0.129 14.003 1.00 0.00 H new ATOM 197 N GLN X 16 27.289 -0.748 12.227 1.00 0.00 N ATOM 198 CA GLN X 16 26.049 -0.067 11.870 1.00 0.00 C ATOM 199 C GLN X 16 25.280 0.326 13.124 1.00 0.00 C ATOM 200 O GLN X 16 24.707 1.409 13.203 1.00 0.00 O ATOM 201 CB GLN X 16 25.182 -0.977 10.999 1.00 0.00 C ATOM 202 CG GLN X 16 25.832 -1.139 9.624 1.00 0.00 C ATOM 203 CD GLN X 16 25.081 -2.189 8.813 1.00 0.00 C ATOM 204 OE1 GLN X 16 24.476 -3.098 9.381 1.00 0.00 O ATOM 205 NE2 GLN X 16 25.088 -2.120 7.509 1.00 0.00 N ATOM 0 H GLN X 16 27.342 -1.722 11.927 1.00 0.00 H new ATOM 0 HA GLN X 16 26.298 0.835 11.311 1.00 0.00 H new ATOM 0 HB2 GLN X 16 25.066 -1.951 11.475 1.00 0.00 H new ATOM 0 HB3 GLN X 16 24.183 -0.553 10.893 1.00 0.00 H new ATOM 0 HG2 GLN X 16 25.826 -0.186 9.095 1.00 0.00 H new ATOM 0 HG3 GLN X 16 26.875 -1.433 9.738 1.00 0.00 H new ATOM 0 HE21 GLN X 16 25.590 -1.366 7.041 1.00 0.00 H new ATOM 0 HE22 GLN X 16 24.591 -2.820 6.959 1.00 0.00 H new ATOM 214 N PHE X 17 25.270 -0.567 14.107 1.00 0.00 N ATOM 215 CA PHE X 17 24.580 -0.300 15.363 1.00 0.00 C ATOM 216 C PHE X 17 25.248 0.823 16.148 1.00 0.00 C ATOM 217 O PHE X 17 24.587 1.757 16.601 1.00 0.00 O ATOM 218 CB PHE X 17 24.554 -1.566 16.220 1.00 0.00 C ATOM 219 CG PHE X 17 24.107 -1.218 17.623 1.00 0.00 C ATOM 220 CD1 PHE X 17 22.742 -1.140 17.931 1.00 0.00 C ATOM 221 CD2 PHE X 17 25.065 -0.975 18.615 1.00 0.00 C ATOM 222 CE1 PHE X 17 22.338 -0.814 19.231 1.00 0.00 C ATOM 223 CE2 PHE X 17 24.661 -0.649 19.914 1.00 0.00 C ATOM 224 CZ PHE X 17 23.297 -0.572 20.224 1.00 0.00 C ATOM 0 H PHE X 17 25.729 -1.477 14.059 1.00 0.00 H new ATOM 0 HA PHE X 17 23.564 0.012 15.120 1.00 0.00 H new ATOM 0 HB2 PHE X 17 23.877 -2.300 15.783 1.00 0.00 H new ATOM 0 HB3 PHE X 17 25.544 -2.021 16.245 1.00 0.00 H new ATOM 0 HD1 PHE X 17 22.003 -1.331 17.167 1.00 0.00 H new ATOM 0 HD2 PHE X 17 26.116 -1.039 18.377 1.00 0.00 H new ATOM 0 HE1 PHE X 17 21.287 -0.749 19.469 1.00 0.00 H new ATOM 0 HE2 PHE X 17 25.400 -0.457 20.678 1.00 0.00 H new ATOM 0 HZ PHE X 17 22.984 -0.326 21.228 1.00 0.00 H new ATOM 234 N VAL X 18 26.560 0.711 16.322 1.00 0.00 N ATOM 235 CA VAL X 18 27.304 1.706 17.080 1.00 0.00 C ATOM 236 C VAL X 18 27.266 3.065 16.391 1.00 0.00 C ATOM 237 O VAL X 18 26.963 4.080 17.017 1.00 0.00 O ATOM 238 CB VAL X 18 28.763 1.257 17.232 1.00 0.00 C ATOM 239 CG1 VAL X 18 29.565 2.352 17.932 1.00 0.00 C ATOM 240 CG2 VAL X 18 28.824 -0.030 18.058 1.00 0.00 C ATOM 0 H VAL X 18 27.125 -0.053 15.951 1.00 0.00 H new ATOM 0 HA VAL X 18 26.838 1.801 18.061 1.00 0.00 H new ATOM 0 HB VAL X 18 29.187 1.072 16.245 1.00 0.00 H new ATOM 0 HG11 VAL X 18 30.601 2.032 18.039 1.00 0.00 H new ATOM 0 HG12 VAL X 18 29.527 3.266 17.339 1.00 0.00 H new ATOM 0 HG13 VAL X 18 29.140 2.541 18.918 1.00 0.00 H new ATOM 0 HG21 VAL X 18 29.862 -0.346 18.164 1.00 0.00 H new ATOM 0 HG22 VAL X 18 28.397 0.150 19.045 1.00 0.00 H new ATOM 0 HG23 VAL X 18 28.256 -0.813 17.555 1.00 0.00 H new ATOM 250 N CYS X 19 27.577 3.080 15.100 1.00 0.00 N ATOM 251 CA CYS X 19 27.581 4.322 14.344 1.00 0.00 C ATOM 252 C CYS X 19 26.153 4.824 14.125 1.00 0.00 C ATOM 253 O CYS X 19 25.874 6.014 14.249 1.00 0.00 O ATOM 254 CB CYS X 19 28.251 4.098 12.988 1.00 0.00 C ATOM 255 SG CYS X 19 29.997 3.662 13.212 1.00 0.00 S ATOM 0 H CYS X 19 27.828 2.252 14.560 1.00 0.00 H new ATOM 0 HA CYS X 19 28.135 5.070 14.911 1.00 0.00 H new ATOM 0 HB2 CYS X 19 27.737 3.303 12.448 1.00 0.00 H new ATOM 0 HB3 CYS X 19 28.169 5.000 12.381 1.00 0.00 H new ATOM 260 N GLY X 20 25.252 3.910 13.807 1.00 0.00 N ATOM 261 CA GLY X 20 23.859 4.272 13.574 1.00 0.00 C ATOM 262 C GLY X 20 23.731 5.220 12.384 1.00 0.00 C ATOM 263 O GLY X 20 24.274 4.960 11.310 1.00 0.00 O ATOM 0 H GLY X 20 25.456 2.916 13.704 1.00 0.00 H new ATOM 0 HA2 GLY X 20 23.272 3.372 13.391 1.00 0.00 H new ATOM 0 HA3 GLY X 20 23.449 4.745 14.466 1.00 0.00 H new ATOM 267 N ASP X 21 23.009 6.316 12.584 1.00 0.00 N ATOM 268 CA ASP X 21 22.805 7.294 11.521 1.00 0.00 C ATOM 269 C ASP X 21 24.137 7.865 11.050 1.00 0.00 C ATOM 270 O ASP X 21 24.276 8.262 9.895 1.00 0.00 O ATOM 271 CB ASP X 21 21.906 8.429 12.016 1.00 0.00 C ATOM 272 CG ASP X 21 20.472 7.934 12.164 1.00 0.00 C ATOM 273 OD1 ASP X 21 20.172 6.876 11.634 1.00 0.00 O ATOM 274 OD2 ASP X 21 19.693 8.617 12.810 1.00 0.00 O ATOM 0 H ASP X 21 22.557 6.550 13.468 1.00 0.00 H new ATOM 0 HA ASP X 21 22.324 6.791 10.682 1.00 0.00 H new ATOM 0 HB2 ASP X 21 22.271 8.802 12.973 1.00 0.00 H new ATOM 0 HB3 ASP X 21 21.941 9.263 11.315 1.00 0.00 H new ATOM 279 N ARG X 22 25.108 7.911 11.951 1.00 0.00 N ATOM 280 CA ARG X 22 26.420 8.445 11.613 1.00 0.00 C ATOM 281 C ARG X 22 27.065 7.618 10.503 1.00 0.00 C ATOM 282 O ARG X 22 27.709 8.162 9.606 1.00 0.00 O ATOM 283 CB ARG X 22 27.327 8.429 12.844 1.00 0.00 C ATOM 284 CG ARG X 22 26.821 9.453 13.861 1.00 0.00 C ATOM 285 CD ARG X 22 27.862 9.634 14.966 1.00 0.00 C ATOM 286 NE ARG X 22 27.992 8.404 15.739 1.00 0.00 N ATOM 287 CZ ARG X 22 27.152 8.115 16.737 1.00 0.00 C ATOM 288 NH1 ARG X 22 26.172 8.929 17.043 1.00 0.00 N ATOM 289 NH2 ARG X 22 27.303 7.008 17.411 1.00 0.00 N ATOM 0 H ARG X 22 25.014 7.588 12.914 1.00 0.00 H new ATOM 0 HA ARG X 22 26.292 9.471 11.267 1.00 0.00 H new ATOM 0 HB2 ARG X 22 27.338 7.434 13.288 1.00 0.00 H new ATOM 0 HB3 ARG X 22 28.353 8.661 12.557 1.00 0.00 H new ATOM 0 HG2 ARG X 22 26.629 10.406 13.368 1.00 0.00 H new ATOM 0 HG3 ARG X 22 25.876 9.119 14.289 1.00 0.00 H new ATOM 0 HD2 ARG X 22 28.824 9.902 14.529 1.00 0.00 H new ATOM 0 HD3 ARG X 22 27.570 10.455 15.621 1.00 0.00 H new ATOM 0 HE ARG X 22 28.741 7.750 15.513 1.00 0.00 H new ATOM 0 HH11 ARG X 22 26.044 9.794 16.517 1.00 0.00 H new ATOM 0 HH12 ARG X 22 25.537 8.698 17.807 1.00 0.00 H new ATOM 0 HH21 ARG X 22 28.060 6.367 17.175 1.00 0.00 H new ATOM 0 HH22 ARG X 22 26.664 6.784 18.174 1.00 0.00 H new ATOM 303 N GLY X 23 26.889 6.303 10.571 1.00 0.00 N ATOM 304 CA GLY X 23 27.460 5.414 9.565 1.00 0.00 C ATOM 305 C GLY X 23 28.971 5.280 9.750 1.00 0.00 C ATOM 306 O GLY X 23 29.533 5.771 10.726 1.00 0.00 O ATOM 0 H GLY X 23 26.360 5.832 11.305 1.00 0.00 H new ATOM 0 HA2 GLY X 23 26.993 4.432 9.635 1.00 0.00 H new ATOM 0 HA3 GLY X 23 27.244 5.800 8.569 1.00 0.00 H new ATOM 310 N PHE X 24 29.621 4.611 8.804 1.00 0.00 N ATOM 311 CA PHE X 24 31.065 4.416 8.872 1.00 0.00 C ATOM 312 C PHE X 24 31.644 4.192 7.480 1.00 0.00 C ATOM 313 O PHE X 24 30.911 3.917 6.529 1.00 0.00 O ATOM 314 CB PHE X 24 31.385 3.219 9.765 1.00 0.00 C ATOM 315 CG PHE X 24 30.750 1.978 9.192 1.00 0.00 C ATOM 316 CD1 PHE X 24 31.482 1.148 8.336 1.00 0.00 C ATOM 317 CD2 PHE X 24 29.426 1.660 9.512 1.00 0.00 C ATOM 318 CE1 PHE X 24 30.891 -0.001 7.803 1.00 0.00 C ATOM 319 CE2 PHE X 24 28.834 0.512 8.979 1.00 0.00 C ATOM 320 CZ PHE X 24 29.567 -0.319 8.125 1.00 0.00 C ATOM 0 H PHE X 24 29.175 4.197 7.986 1.00 0.00 H new ATOM 0 HA PHE X 24 31.516 5.314 9.295 1.00 0.00 H new ATOM 0 HB2 PHE X 24 32.464 3.086 9.840 1.00 0.00 H new ATOM 0 HB3 PHE X 24 31.015 3.396 10.775 1.00 0.00 H new ATOM 0 HD1 PHE X 24 32.503 1.395 8.087 1.00 0.00 H new ATOM 0 HD2 PHE X 24 28.861 2.302 10.171 1.00 0.00 H new ATOM 0 HE1 PHE X 24 31.456 -0.643 7.143 1.00 0.00 H new ATOM 0 HE2 PHE X 24 27.812 0.266 9.226 1.00 0.00 H new ATOM 0 HZ PHE X 24 29.110 -1.207 7.714 1.00 0.00 H new ATOM 330 N TYR X 25 32.962 4.316 7.366 1.00 0.00 N ATOM 331 CA TYR X 25 33.626 4.128 6.082 1.00 0.00 C ATOM 332 C TYR X 25 34.962 3.418 6.271 1.00 0.00 C ATOM 333 O TYR X 25 35.475 3.326 7.387 1.00 0.00 O ATOM 334 CB TYR X 25 33.863 5.483 5.407 1.00 0.00 C ATOM 335 CG TYR X 25 34.917 6.250 6.168 1.00 0.00 C ATOM 336 CD1 TYR X 25 36.265 6.118 5.816 1.00 0.00 C ATOM 337 CD2 TYR X 25 34.547 7.090 7.225 1.00 0.00 C ATOM 338 CE1 TYR X 25 37.244 6.823 6.520 1.00 0.00 C ATOM 339 CE2 TYR X 25 35.528 7.798 7.929 1.00 0.00 C ATOM 340 CZ TYR X 25 36.878 7.665 7.577 1.00 0.00 C ATOM 341 OH TYR X 25 37.843 8.365 8.270 1.00 0.00 O ATOM 0 H TYR X 25 33.587 4.544 8.140 1.00 0.00 H new ATOM 0 HA TYR X 25 32.982 3.515 5.451 1.00 0.00 H new ATOM 0 HB2 TYR X 25 34.180 5.336 4.375 1.00 0.00 H new ATOM 0 HB3 TYR X 25 32.934 6.053 5.377 1.00 0.00 H new ATOM 0 HD1 TYR X 25 36.549 5.471 4.999 1.00 0.00 H new ATOM 0 HD2 TYR X 25 33.507 7.192 7.497 1.00 0.00 H new ATOM 0 HE1 TYR X 25 38.284 6.718 6.249 1.00 0.00 H new ATOM 0 HE2 TYR X 25 35.244 8.447 8.744 1.00 0.00 H new ATOM 0 HH TYR X 25 37.418 8.902 8.971 1.00 0.00 H new ATOM 613 N ILE X 44 39.559 -1.242 9.769 1.00 0.00 N ATOM 614 CA ILE X 44 38.976 -1.459 11.088 1.00 0.00 C ATOM 615 C ILE X 44 38.513 -2.904 11.236 1.00 0.00 C ATOM 616 O ILE X 44 38.512 -3.454 12.337 1.00 0.00 O ATOM 617 CB ILE X 44 37.791 -0.511 11.293 1.00 0.00 C ATOM 618 CG1 ILE X 44 36.664 -0.868 10.318 1.00 0.00 C ATOM 619 CG2 ILE X 44 38.243 0.928 11.039 1.00 0.00 C ATOM 620 CD1 ILE X 44 35.459 0.034 10.574 1.00 0.00 C ATOM 0 HA ILE X 44 39.736 -1.257 11.843 1.00 0.00 H new ATOM 0 HB ILE X 44 37.426 -0.608 12.316 1.00 0.00 H new ATOM 0 HG12 ILE X 44 37.008 -0.750 9.290 1.00 0.00 H new ATOM 0 HG13 ILE X 44 36.381 -1.913 10.441 1.00 0.00 H new ATOM 0 HG21 ILE X 44 37.401 1.605 11.184 1.00 0.00 H new ATOM 0 HG22 ILE X 44 39.041 1.187 11.735 1.00 0.00 H new ATOM 0 HG23 ILE X 44 38.609 1.019 10.017 1.00 0.00 H new ATOM 0 HD11 ILE X 44 34.659 -0.222 9.879 1.00 0.00 H new ATOM 0 HD12 ILE X 44 35.110 -0.107 11.597 1.00 0.00 H new ATOM 0 HD13 ILE X 44 35.747 1.075 10.429 1.00 0.00 H new ATOM 632 N VAL X 45 38.121 -3.507 10.117 1.00 0.00 N ATOM 633 CA VAL X 45 37.659 -4.889 10.129 1.00 0.00 C ATOM 634 C VAL X 45 38.770 -5.831 10.553 1.00 0.00 C ATOM 635 O VAL X 45 38.574 -6.688 11.410 1.00 0.00 O ATOM 636 CB VAL X 45 37.158 -5.289 8.741 1.00 0.00 C ATOM 637 CG1 VAL X 45 36.931 -6.804 8.697 1.00 0.00 C ATOM 638 CG2 VAL X 45 35.837 -4.572 8.456 1.00 0.00 C ATOM 0 H VAL X 45 38.114 -3.064 9.198 1.00 0.00 H new ATOM 0 HA VAL X 45 36.843 -4.963 10.848 1.00 0.00 H new ATOM 0 HB VAL X 45 37.898 -5.010 7.991 1.00 0.00 H new ATOM 0 HG11 VAL X 45 36.574 -7.090 7.708 1.00 0.00 H new ATOM 0 HG12 VAL X 45 37.869 -7.319 8.907 1.00 0.00 H new ATOM 0 HG13 VAL X 45 36.189 -7.083 9.445 1.00 0.00 H new ATOM 0 HG21 VAL X 45 35.476 -4.854 7.467 1.00 0.00 H new ATOM 0 HG22 VAL X 45 35.099 -4.856 9.206 1.00 0.00 H new ATOM 0 HG23 VAL X 45 35.993 -3.494 8.491 1.00 0.00 H new ATOM 648 N ASP X 46 39.936 -5.667 9.944 1.00 0.00 N ATOM 649 CA ASP X 46 41.079 -6.507 10.261 1.00 0.00 C ATOM 650 C ASP X 46 41.528 -6.292 11.699 1.00 0.00 C ATOM 651 O ASP X 46 41.903 -7.237 12.382 1.00 0.00 O ATOM 652 CB ASP X 46 42.240 -6.201 9.317 1.00 0.00 C ATOM 653 CG ASP X 46 41.923 -6.711 7.916 1.00 0.00 C ATOM 654 OD1 ASP X 46 40.975 -7.467 7.783 1.00 0.00 O ATOM 655 OD2 ASP X 46 42.630 -6.336 6.996 1.00 0.00 O ATOM 0 H ASP X 46 40.114 -4.961 9.229 1.00 0.00 H new ATOM 0 HA ASP X 46 40.775 -7.547 10.138 1.00 0.00 H new ATOM 0 HB2 ASP X 46 42.423 -5.127 9.289 1.00 0.00 H new ATOM 0 HB3 ASP X 46 43.152 -6.670 9.686 1.00 0.00 H new ATOM 660 N GLU X 47 41.502 -5.043 12.152 1.00 0.00 N ATOM 661 CA GLU X 47 41.933 -4.745 13.510 1.00 0.00 C ATOM 662 C GLU X 47 41.064 -5.447 14.542 1.00 0.00 C ATOM 663 O GLU X 47 41.580 -6.121 15.433 1.00 0.00 O ATOM 664 CB GLU X 47 41.852 -3.233 13.741 1.00 0.00 C ATOM 665 CG GLU X 47 42.302 -2.901 15.165 1.00 0.00 C ATOM 666 CD GLU X 47 42.267 -1.390 15.386 1.00 0.00 C ATOM 667 OE1 GLU X 47 41.901 -0.685 14.461 1.00 0.00 O ATOM 668 OE2 GLU X 47 42.606 -0.965 16.477 1.00 0.00 O ATOM 0 H GLU X 47 41.193 -4.236 11.610 1.00 0.00 H new ATOM 0 HA GLU X 47 42.956 -5.102 13.625 1.00 0.00 H new ATOM 0 HB2 GLU X 47 42.482 -2.712 13.020 1.00 0.00 H new ATOM 0 HB3 GLU X 47 40.831 -2.886 13.582 1.00 0.00 H new ATOM 0 HG2 GLU X 47 41.652 -3.397 15.885 1.00 0.00 H new ATOM 0 HG3 GLU X 47 43.311 -3.278 15.333 1.00 0.00 H new ATOM 675 N CYS X 48 39.753 -5.287 14.421 1.00 0.00 N ATOM 676 CA CYS X 48 38.828 -5.915 15.352 1.00 0.00 C ATOM 677 C CYS X 48 38.774 -7.425 15.146 1.00 0.00 C ATOM 678 O CYS X 48 38.721 -8.199 16.104 1.00 0.00 O ATOM 679 CB CYS X 48 37.429 -5.335 15.171 1.00 0.00 C ATOM 680 SG CYS X 48 37.430 -3.609 15.711 1.00 0.00 S ATOM 0 H CYS X 48 39.309 -4.730 13.691 1.00 0.00 H new ATOM 0 HA CYS X 48 39.186 -5.714 16.362 1.00 0.00 H new ATOM 0 HB2 CYS X 48 37.126 -5.402 14.126 1.00 0.00 H new ATOM 0 HB3 CYS X 48 36.706 -5.910 15.750 1.00 0.00 H new ATOM 685 N CYS X 49 38.783 -7.840 13.884 1.00 0.00 N ATOM 686 CA CYS X 49 38.725 -9.256 13.548 1.00 0.00 C ATOM 687 C CYS X 49 39.930 -9.999 14.111 1.00 0.00 C ATOM 688 O CYS X 49 39.785 -11.056 14.728 1.00 0.00 O ATOM 689 CB CYS X 49 38.681 -9.436 12.026 1.00 0.00 C ATOM 690 SG CYS X 49 38.571 -11.200 11.626 1.00 0.00 S ATOM 0 H CYS X 49 38.830 -7.216 13.078 1.00 0.00 H new ATOM 0 HA CYS X 49 37.819 -9.670 13.991 1.00 0.00 H new ATOM 0 HB2 CYS X 49 37.824 -8.905 11.611 1.00 0.00 H new ATOM 0 HB3 CYS X 49 39.574 -9.005 11.573 1.00 0.00 H new ATOM 695 N PHE X 50 41.121 -9.441 13.901 1.00 0.00 N ATOM 696 CA PHE X 50 42.339 -10.070 14.397 1.00 0.00 C ATOM 697 C PHE X 50 42.609 -9.644 15.835 1.00 0.00 C ATOM 698 O PHE X 50 42.478 -10.437 16.766 1.00 0.00 O ATOM 699 CB PHE X 50 43.517 -9.670 13.504 1.00 0.00 C ATOM 700 CG PHE X 50 43.434 -10.425 12.196 1.00 0.00 C ATOM 701 CD1 PHE X 50 42.557 -9.988 11.193 1.00 0.00 C ATOM 702 CD2 PHE X 50 44.232 -11.553 11.984 1.00 0.00 C ATOM 703 CE1 PHE X 50 42.479 -10.679 9.978 1.00 0.00 C ATOM 704 CE2 PHE X 50 44.156 -12.246 10.770 1.00 0.00 C ATOM 705 CZ PHE X 50 43.278 -11.811 9.768 1.00 0.00 C ATOM 0 H PHE X 50 41.266 -8.566 13.397 1.00 0.00 H new ATOM 0 HA PHE X 50 42.215 -11.153 14.374 1.00 0.00 H new ATOM 0 HB2 PHE X 50 43.499 -8.596 13.319 1.00 0.00 H new ATOM 0 HB3 PHE X 50 44.459 -9.891 14.005 1.00 0.00 H new ATOM 0 HD1 PHE X 50 41.941 -9.117 11.358 1.00 0.00 H new ATOM 0 HD2 PHE X 50 44.907 -11.890 12.757 1.00 0.00 H new ATOM 0 HE1 PHE X 50 41.805 -10.341 9.205 1.00 0.00 H new ATOM 0 HE2 PHE X 50 44.774 -13.116 10.606 1.00 0.00 H new ATOM 0 HZ PHE X 50 43.217 -12.349 8.833 1.00 0.00 H new ATOM 715 N ARG X 51 42.986 -8.380 16.006 1.00 0.00 N ATOM 716 CA ARG X 51 43.275 -7.850 17.333 1.00 0.00 C ATOM 717 C ARG X 51 41.982 -7.488 18.058 1.00 0.00 C ATOM 718 O ARG X 51 40.920 -7.397 17.446 1.00 0.00 O ATOM 719 CB ARG X 51 44.163 -6.609 17.221 1.00 0.00 C ATOM 720 CG ARG X 51 45.492 -6.994 16.568 1.00 0.00 C ATOM 721 CD ARG X 51 46.280 -5.730 16.237 1.00 0.00 C ATOM 722 NE ARG X 51 45.572 -4.938 15.237 1.00 0.00 N ATOM 723 CZ ARG X 51 46.037 -3.755 14.834 1.00 0.00 C ATOM 724 NH1 ARG X 51 47.151 -3.274 15.327 1.00 0.00 N ATOM 725 NH2 ARG X 51 45.379 -3.070 13.937 1.00 0.00 N ATOM 0 H ARG X 51 43.098 -7.708 15.247 1.00 0.00 H new ATOM 0 HA ARG X 51 43.797 -8.618 17.903 1.00 0.00 H new ATOM 0 HB2 ARG X 51 43.663 -5.842 16.629 1.00 0.00 H new ATOM 0 HB3 ARG X 51 44.340 -6.184 18.209 1.00 0.00 H new ATOM 0 HG2 ARG X 51 46.069 -7.630 17.240 1.00 0.00 H new ATOM 0 HG3 ARG X 51 45.310 -7.570 15.661 1.00 0.00 H new ATOM 0 HD2 ARG X 51 46.428 -5.139 17.141 1.00 0.00 H new ATOM 0 HD3 ARG X 51 47.269 -5.997 15.865 1.00 0.00 H new ATOM 0 HE ARG X 51 44.704 -5.296 14.838 1.00 0.00 H new ATOM 0 HH11 ARG X 51 47.671 -3.805 16.025 1.00 0.00 H new ATOM 0 HH12 ARG X 51 47.499 -2.368 15.012 1.00 0.00 H new ATOM 0 HH21 ARG X 51 44.512 -3.440 13.547 1.00 0.00 H new ATOM 0 HH22 ARG X 51 45.732 -2.165 13.627 1.00 0.00 H new ATOM 739 N SER X 52 42.076 -7.285 19.365 1.00 0.00 N ATOM 740 CA SER X 52 40.899 -6.932 20.150 1.00 0.00 C ATOM 741 C SER X 52 40.724 -5.416 20.195 1.00 0.00 C ATOM 742 O SER X 52 41.593 -4.695 20.684 1.00 0.00 O ATOM 743 CB SER X 52 41.044 -7.473 21.572 1.00 0.00 C ATOM 744 OG SER X 52 39.967 -6.999 22.369 1.00 0.00 O ATOM 0 H SER X 52 42.942 -7.357 19.899 1.00 0.00 H new ATOM 0 HA SER X 52 40.021 -7.375 19.680 1.00 0.00 H new ATOM 0 HB2 SER X 52 41.050 -8.563 21.560 1.00 0.00 H new ATOM 0 HB3 SER X 52 41.995 -7.154 21.999 1.00 0.00 H new ATOM 0 HG SER X 52 40.057 -7.346 23.281 1.00 0.00 H new ATOM 750 N CYS X 53 39.592 -4.939 19.684 1.00 0.00 N ATOM 751 CA CYS X 53 39.316 -3.508 19.673 1.00 0.00 C ATOM 752 C CYS X 53 38.146 -3.187 20.600 1.00 0.00 C ATOM 753 O CYS X 53 37.120 -3.868 20.583 1.00 0.00 O ATOM 754 CB CYS X 53 38.991 -3.053 18.245 1.00 0.00 C ATOM 755 SG CYS X 53 37.401 -3.744 17.724 1.00 0.00 S ATOM 0 H CYS X 53 38.858 -5.518 19.276 1.00 0.00 H new ATOM 0 HA CYS X 53 40.199 -2.976 20.027 1.00 0.00 H new ATOM 0 HB2 CYS X 53 38.956 -1.964 18.200 1.00 0.00 H new ATOM 0 HB3 CYS X 53 39.778 -3.375 17.563 1.00 0.00 H new ATOM 760 N ASP X 54 38.309 -2.146 21.408 1.00 0.00 N ATOM 761 CA ASP X 54 37.263 -1.741 22.341 1.00 0.00 C ATOM 762 C ASP X 54 36.097 -1.091 21.602 1.00 0.00 C ATOM 763 O ASP X 54 36.266 -0.546 20.511 1.00 0.00 O ATOM 764 CB ASP X 54 37.828 -0.762 23.371 1.00 0.00 C ATOM 765 CG ASP X 54 38.756 -1.497 24.333 1.00 0.00 C ATOM 766 OD1 ASP X 54 38.738 -2.717 24.326 1.00 0.00 O ATOM 767 OD2 ASP X 54 39.468 -0.830 25.064 1.00 0.00 O ATOM 0 H ASP X 54 39.150 -1.570 21.437 1.00 0.00 H new ATOM 0 HA ASP X 54 36.898 -2.633 22.850 1.00 0.00 H new ATOM 0 HB2 ASP X 54 38.372 0.036 22.866 1.00 0.00 H new ATOM 0 HB3 ASP X 54 37.014 -0.293 23.924 1.00 0.00 H new ATOM 772 N LEU X 55 34.915 -1.150 22.203 1.00 0.00 N ATOM 773 CA LEU X 55 33.729 -0.561 21.591 1.00 0.00 C ATOM 774 C LEU X 55 33.901 0.947 21.437 1.00 0.00 C ATOM 775 O LEU X 55 33.505 1.525 20.426 1.00 0.00 O ATOM 776 CB LEU X 55 32.500 -0.851 22.456 1.00 0.00 C ATOM 777 CG LEU X 55 32.158 -2.340 22.377 1.00 0.00 C ATOM 778 CD1 LEU X 55 31.119 -2.682 23.446 1.00 0.00 C ATOM 779 CD2 LEU X 55 31.583 -2.660 20.991 1.00 0.00 C ATOM 0 H LEU X 55 34.752 -1.596 23.106 1.00 0.00 H new ATOM 0 HA LEU X 55 33.592 -1.002 20.604 1.00 0.00 H new ATOM 0 HB2 LEU X 55 32.695 -0.566 23.490 1.00 0.00 H new ATOM 0 HB3 LEU X 55 31.654 -0.254 22.115 1.00 0.00 H new ATOM 0 HG LEU X 55 33.061 -2.928 22.543 1.00 0.00 H new ATOM 0 HD11 LEU X 55 30.875 -3.743 23.390 1.00 0.00 H new ATOM 0 HD12 LEU X 55 31.523 -2.454 24.432 1.00 0.00 H new ATOM 0 HD13 LEU X 55 30.217 -2.093 23.279 1.00 0.00 H new ATOM 0 HD21 LEU X 55 31.339 -3.721 20.934 1.00 0.00 H new ATOM 0 HD22 LEU X 55 30.681 -2.071 20.827 1.00 0.00 H new ATOM 0 HD23 LEU X 55 32.320 -2.416 20.226 1.00 0.00 H new ATOM 791 N ARG X 56 34.497 1.578 22.445 1.00 0.00 N ATOM 792 CA ARG X 56 34.715 3.019 22.403 1.00 0.00 C ATOM 793 C ARG X 56 35.587 3.394 21.205 1.00 0.00 C ATOM 794 O ARG X 56 35.276 4.331 20.470 1.00 0.00 O ATOM 795 CB ARG X 56 35.390 3.480 23.696 1.00 0.00 C ATOM 796 CG ARG X 56 35.608 4.993 23.644 1.00 0.00 C ATOM 797 CD ARG X 56 36.236 5.457 24.953 1.00 0.00 C ATOM 798 NE ARG X 56 36.524 6.886 24.903 1.00 0.00 N ATOM 799 CZ ARG X 56 37.079 7.518 25.937 1.00 0.00 C ATOM 800 NH1 ARG X 56 37.381 6.866 27.032 1.00 0.00 N ATOM 801 NH2 ARG X 56 37.328 8.798 25.858 1.00 0.00 N ATOM 0 H ARG X 56 34.834 1.120 23.292 1.00 0.00 H new ATOM 0 HA ARG X 56 33.749 3.514 22.302 1.00 0.00 H new ATOM 0 HB2 ARG X 56 34.771 3.220 24.555 1.00 0.00 H new ATOM 0 HB3 ARG X 56 36.344 2.968 23.824 1.00 0.00 H new ATOM 0 HG2 ARG X 56 36.255 5.250 22.806 1.00 0.00 H new ATOM 0 HG3 ARG X 56 34.659 5.503 23.482 1.00 0.00 H new ATOM 0 HD2 ARG X 56 35.561 5.245 25.782 1.00 0.00 H new ATOM 0 HD3 ARG X 56 37.155 4.901 25.140 1.00 0.00 H new ATOM 0 HE ARG X 56 36.296 7.412 24.060 1.00 0.00 H new ATOM 0 HH11 ARG X 56 37.192 5.866 27.099 1.00 0.00 H new ATOM 0 HH12 ARG X 56 37.805 7.358 27.818 1.00 0.00 H new ATOM 0 HH21 ARG X 56 37.098 9.311 25.007 1.00 0.00 H new ATOM 0 HH22 ARG X 56 37.753 9.285 26.647 1.00 0.00 H new ATOM 815 N ARG X 57 36.679 2.653 21.012 1.00 0.00 N ATOM 816 CA ARG X 57 37.581 2.910 19.903 1.00 0.00 C ATOM 817 C ARG X 57 36.868 2.672 18.577 1.00 0.00 C ATOM 818 O ARG X 57 37.070 3.405 17.609 1.00 0.00 O ATOM 819 CB ARG X 57 38.811 2.001 20.008 1.00 0.00 C ATOM 820 CG ARG X 57 39.781 2.340 18.895 1.00 0.00 C ATOM 821 CD ARG X 57 41.093 1.599 19.134 1.00 0.00 C ATOM 822 NE ARG X 57 41.894 1.613 17.926 1.00 0.00 N ATOM 823 CZ ARG X 57 43.201 1.326 17.949 1.00 0.00 C ATOM 824 NH1 ARG X 57 43.796 1.032 19.079 1.00 0.00 N ATOM 825 NH2 ARG X 57 43.896 1.329 16.840 1.00 0.00 N ATOM 0 H ARG X 57 36.954 1.874 21.610 1.00 0.00 H new ATOM 0 HA ARG X 57 37.903 3.951 19.946 1.00 0.00 H new ATOM 0 HB2 ARG X 57 39.292 2.131 20.977 1.00 0.00 H new ATOM 0 HB3 ARG X 57 38.512 0.955 19.939 1.00 0.00 H new ATOM 0 HG2 ARG X 57 39.360 2.058 17.930 1.00 0.00 H new ATOM 0 HG3 ARG X 57 39.957 3.415 18.864 1.00 0.00 H new ATOM 0 HD2 ARG X 57 41.642 2.068 19.950 1.00 0.00 H new ATOM 0 HD3 ARG X 57 40.891 0.571 19.435 1.00 0.00 H new ATOM 0 HE ARG X 57 41.451 1.847 17.037 1.00 0.00 H new ATOM 0 HH11 ARG X 57 43.263 1.021 19.948 1.00 0.00 H new ATOM 0 HH12 ARG X 57 44.792 0.814 19.089 1.00 0.00 H new ATOM 0 HH21 ARG X 57 43.442 1.551 15.954 1.00 0.00 H new ATOM 0 HH22 ARG X 57 44.892 1.110 16.862 1.00 0.00 H new ATOM 839 N LEU X 58 36.039 1.633 18.539 1.00 0.00 N ATOM 840 CA LEU X 58 35.309 1.291 17.327 1.00 0.00 C ATOM 841 C LEU X 58 34.412 2.446 16.888 1.00 0.00 C ATOM 842 O LEU X 58 34.227 2.687 15.695 1.00 0.00 O ATOM 843 CB LEU X 58 34.454 0.045 17.556 1.00 0.00 C ATOM 844 CG LEU X 58 33.976 -0.501 16.206 1.00 0.00 C ATOM 845 CD1 LEU X 58 35.094 -1.330 15.563 1.00 0.00 C ATOM 846 CD2 LEU X 58 32.752 -1.387 16.418 1.00 0.00 C ATOM 0 H LEU X 58 35.858 1.017 19.331 1.00 0.00 H new ATOM 0 HA LEU X 58 36.038 1.092 16.542 1.00 0.00 H new ATOM 0 HB2 LEU X 58 35.032 -0.714 18.083 1.00 0.00 H new ATOM 0 HB3 LEU X 58 33.598 0.289 18.186 1.00 0.00 H new ATOM 0 HG LEU X 58 33.716 0.332 15.553 1.00 0.00 H new ATOM 0 HD11 LEU X 58 34.753 -1.718 14.603 1.00 0.00 H new ATOM 0 HD12 LEU X 58 35.971 -0.701 15.410 1.00 0.00 H new ATOM 0 HD13 LEU X 58 35.354 -2.161 16.219 1.00 0.00 H new ATOM 0 HD21 LEU X 58 32.413 -1.775 15.457 1.00 0.00 H new ATOM 0 HD22 LEU X 58 33.013 -2.218 17.073 1.00 0.00 H new ATOM 0 HD23 LEU X 58 31.954 -0.802 16.875 1.00 0.00 H new ATOM 858 N ASP X 59 33.849 3.150 17.861 1.00 0.00 N ATOM 859 CA ASP X 59 32.964 4.274 17.574 1.00 0.00 C ATOM 860 C ASP X 59 33.691 5.340 16.759 1.00 0.00 C ATOM 861 O ASP X 59 33.097 5.989 15.899 1.00 0.00 O ATOM 862 CB ASP X 59 32.461 4.893 18.879 1.00 0.00 C ATOM 863 CG ASP X 59 31.342 5.891 18.592 1.00 0.00 C ATOM 864 OD1 ASP X 59 31.165 6.240 17.437 1.00 0.00 O ATOM 865 OD2 ASP X 59 30.675 6.290 19.533 1.00 0.00 O ATOM 0 H ASP X 59 33.988 2.964 18.854 1.00 0.00 H new ATOM 0 HA ASP X 59 32.119 3.901 16.996 1.00 0.00 H new ATOM 0 HB2 ASP X 59 32.098 4.110 19.545 1.00 0.00 H new ATOM 0 HB3 ASP X 59 33.282 5.394 19.393 1.00 0.00 H new ATOM 870 N MET X 60 34.978 5.518 17.032 1.00 0.00 N ATOM 871 CA MET X 60 35.762 6.517 16.313 1.00 0.00 C ATOM 872 C MET X 60 35.795 6.220 14.818 1.00 0.00 C ATOM 873 O MET X 60 36.079 7.105 14.012 1.00 0.00 O ATOM 874 CB MET X 60 37.188 6.565 16.860 1.00 0.00 C ATOM 875 CG MET X 60 37.183 7.226 18.241 1.00 0.00 C ATOM 876 SD MET X 60 38.883 7.606 18.741 1.00 0.00 S ATOM 877 CE MET X 60 39.397 5.921 19.146 1.00 0.00 C ATOM 0 H MET X 60 35.496 4.992 17.736 1.00 0.00 H new ATOM 0 HA MET X 60 35.285 7.486 16.461 1.00 0.00 H new ATOM 0 HB2 MET X 60 37.596 5.557 16.929 1.00 0.00 H new ATOM 0 HB3 MET X 60 37.831 7.124 16.180 1.00 0.00 H new ATOM 0 HG2 MET X 60 36.588 8.139 18.216 1.00 0.00 H new ATOM 0 HG3 MET X 60 36.718 6.563 18.971 1.00 0.00 H new ATOM 0 HE1 MET X 60 40.441 5.781 18.865 1.00 0.00 H new ATOM 0 HE2 MET X 60 39.284 5.754 20.217 1.00 0.00 H new ATOM 0 HE3 MET X 60 38.776 5.210 18.601 1.00 0.00 H new ATOM 887 N TYR X 61 35.499 4.981 14.454 1.00 0.00 N ATOM 888 CA TYR X 61 35.491 4.590 13.051 1.00 0.00 C ATOM 889 C TYR X 61 34.243 5.124 12.351 1.00 0.00 C ATOM 890 O TYR X 61 34.153 5.093 11.125 1.00 0.00 O ATOM 891 CB TYR X 61 35.527 3.065 12.941 1.00 0.00 C ATOM 892 CG TYR X 61 36.761 2.531 13.635 1.00 0.00 C ATOM 893 CD1 TYR X 61 36.775 1.217 14.110 1.00 0.00 C ATOM 894 CD2 TYR X 61 37.888 3.347 13.809 1.00 0.00 C ATOM 895 CE1 TYR X 61 37.911 0.718 14.757 1.00 0.00 C ATOM 896 CE2 TYR X 61 39.021 2.849 14.454 1.00 0.00 C ATOM 897 CZ TYR X 61 39.035 1.534 14.930 1.00 0.00 C ATOM 898 OH TYR X 61 40.158 1.047 15.565 1.00 0.00 O ATOM 0 H TYR X 61 35.262 4.233 15.106 1.00 0.00 H new ATOM 0 HA TYR X 61 36.371 5.013 12.567 1.00 0.00 H new ATOM 0 HB2 TYR X 61 34.631 2.637 13.391 1.00 0.00 H new ATOM 0 HB3 TYR X 61 35.530 2.767 11.893 1.00 0.00 H new ATOM 0 HD1 TYR X 61 35.908 0.586 13.978 1.00 0.00 H new ATOM 0 HD2 TYR X 61 37.879 4.363 13.443 1.00 0.00 H new ATOM 0 HE1 TYR X 61 37.921 -0.298 15.123 1.00 0.00 H new ATOM 0 HE2 TYR X 61 39.888 3.480 14.586 1.00 0.00 H new ATOM 0 HH TYR X 61 40.683 0.511 14.935 1.00 0.00 H new ATOM 908 N CYS X 62 33.288 5.619 13.130 1.00 0.00 N ATOM 909 CA CYS X 62 32.060 6.159 12.565 1.00 0.00 C ATOM 910 C CYS X 62 32.352 7.440 11.786 1.00 0.00 C ATOM 911 O CYS X 62 33.257 8.202 12.136 1.00 0.00 O ATOM 912 CB CYS X 62 31.068 6.460 13.687 1.00 0.00 C ATOM 913 SG CYS X 62 30.709 4.941 14.603 1.00 0.00 S ATOM 0 H CYS X 62 33.341 5.657 14.148 1.00 0.00 H new ATOM 0 HA CYS X 62 31.633 5.422 11.885 1.00 0.00 H new ATOM 0 HB2 CYS X 62 31.481 7.213 14.359 1.00 0.00 H new ATOM 0 HB3 CYS X 62 30.148 6.873 13.272 1.00 0.00 H new ATOM 918 N ALA X 63 31.582 7.669 10.724 1.00 0.00 N ATOM 919 CA ALA X 63 31.764 8.847 9.899 1.00 0.00 C ATOM 920 C ALA X 63 31.354 10.105 10.668 1.00 0.00 C ATOM 921 O ALA X 63 30.568 10.038 11.611 1.00 0.00 O ATOM 922 CB ALA X 63 30.919 8.728 8.626 1.00 0.00 C ATOM 0 H ALA X 63 30.829 7.052 10.420 1.00 0.00 H new ATOM 0 HA ALA X 63 32.818 8.923 9.630 1.00 0.00 H new ATOM 0 HB1 ALA X 63 31.061 9.617 8.011 1.00 0.00 H new ATOM 0 HB2 ALA X 63 31.228 7.846 8.065 1.00 0.00 H new ATOM 0 HB3 ALA X 63 29.867 8.637 8.895 1.00 0.00 H new