USER MOD reduce.3.24.130724 H: found=0, std=0, add=328, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 321 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 299 CYS SG : rot 174:sc= -1.83 USER MOD Set 1.2: A 302 CYS SG : rot -121:sc= 0.183 USER MOD Set 1.3: A 319 HIS : no HD1:sc= 0.813 K(o=-2.7,f=-10!) USER MOD Set 1.4: A 322 CYS SG : rot 150:sc= -1.86! USER MOD Set 2.1: A 311 CYS SG : rot 159:sc= 2.67 USER MOD Set 2.2: A 314 CYS SG : rot 67:sc= 1.34 USER MOD Set 2.3: A 337 CYS SG : rot 170:sc= 0.713 USER MOD Set 2.4: A 339 SER OG : rot 180:sc= 0 USER MOD Set 2.5: A 340 CYS SG : rot 128:sc= 1.78 USER MOD Single : A 295 ASN : amide:sc= -1.08! C(o=-1.1!,f=-4.8!) USER MOD Single : A 310 CYS SG : rot 180:sc= 0.175 USER MOD Single : A 324 SER OG : rot 180:sc= 0 USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 334 THR OG1 : rot 44:sc= 0.358 USER MOD Single : A 338 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 85 N ASN A 295 -5.998 -2.179 -1.482 1.00 0.00 N ATOM 86 CA ASN A 295 -4.800 -1.446 -1.116 1.00 0.00 C ATOM 87 C ASN A 295 -5.173 -0.284 -0.200 1.00 0.00 C ATOM 88 O ASN A 295 -6.194 0.372 -0.412 1.00 0.00 O ATOM 89 CB ASN A 295 -4.087 -0.943 -2.370 1.00 0.00 C ATOM 90 CG ASN A 295 -2.738 -0.321 -2.079 1.00 0.00 C ATOM 91 OD1 ASN A 295 -2.634 0.873 -1.830 1.00 0.00 O ATOM 92 ND2 ASN A 295 -1.687 -1.130 -2.114 1.00 0.00 N ATOM 0 HA ASN A 295 -4.118 -2.108 -0.582 1.00 0.00 H new ATOM 0 HB2 ASN A 295 -3.955 -1.774 -3.063 1.00 0.00 H new ATOM 0 HB3 ASN A 295 -4.719 -0.208 -2.869 1.00 0.00 H new ATOM 0 HD21 ASN A 295 -0.754 -0.762 -1.930 1.00 0.00 H new ATOM 0 HD22 ASN A 295 -1.812 -2.120 -2.325 1.00 0.00 H new ATOM 99 N GLU A 296 -4.370 -0.058 0.829 1.00 0.00 N ATOM 100 CA GLU A 296 -4.629 1.012 1.784 1.00 0.00 C ATOM 101 C GLU A 296 -4.388 2.372 1.143 1.00 0.00 C ATOM 102 O GLU A 296 -3.402 2.573 0.445 1.00 0.00 O ATOM 103 CB GLU A 296 -3.758 0.849 3.031 1.00 0.00 C ATOM 104 CG GLU A 296 -3.994 -0.461 3.765 1.00 0.00 C ATOM 105 CD GLU A 296 -5.442 -0.647 4.165 1.00 0.00 C ATOM 106 OE1 GLU A 296 -5.850 -0.099 5.209 1.00 0.00 O ATOM 107 OE2 GLU A 296 -6.180 -1.347 3.441 1.00 0.00 O ATOM 0 H GLU A 296 -3.530 -0.603 1.025 1.00 0.00 H new ATOM 0 HA GLU A 296 -5.675 0.951 2.086 1.00 0.00 H new ATOM 0 HB2 GLU A 296 -2.709 0.912 2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 296 -3.952 1.678 3.711 1.00 0.00 H new ATOM 0 HG2 GLU A 296 -3.686 -1.291 3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 296 -3.367 -0.493 4.656 1.00 0.00 H new ATOM 114 N ASP A 297 -5.274 3.309 1.433 1.00 0.00 N ATOM 115 CA ASP A 297 -5.251 4.627 0.798 1.00 0.00 C ATOM 116 C ASP A 297 -4.332 5.592 1.539 1.00 0.00 C ATOM 117 O ASP A 297 -4.597 6.796 1.605 1.00 0.00 O ATOM 118 CB ASP A 297 -6.668 5.210 0.722 1.00 0.00 C ATOM 119 CG ASP A 297 -7.575 4.434 -0.218 1.00 0.00 C ATOM 120 OD1 ASP A 297 -7.591 4.746 -1.427 1.00 0.00 O ATOM 121 OD2 ASP A 297 -8.290 3.520 0.250 1.00 0.00 O ATOM 0 H ASP A 297 -6.027 3.185 2.110 1.00 0.00 H new ATOM 0 HA ASP A 297 -4.861 4.497 -0.211 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -7.107 5.217 1.720 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -6.612 6.247 0.391 1.00 0.00 H new ATOM 126 N GLU A 298 -3.257 5.063 2.110 1.00 0.00 N ATOM 127 CA GLU A 298 -2.323 5.865 2.894 1.00 0.00 C ATOM 128 C GLU A 298 -0.896 5.605 2.423 1.00 0.00 C ATOM 129 O GLU A 298 -0.496 4.453 2.272 1.00 0.00 O ATOM 130 CB GLU A 298 -2.424 5.501 4.380 1.00 0.00 C ATOM 131 CG GLU A 298 -3.843 5.477 4.920 1.00 0.00 C ATOM 132 CD GLU A 298 -3.903 4.920 6.326 1.00 0.00 C ATOM 133 OE1 GLU A 298 -3.538 3.745 6.514 1.00 0.00 O ATOM 134 OE2 GLU A 298 -4.314 5.656 7.247 1.00 0.00 O ATOM 0 H GLU A 298 -3.008 4.076 2.045 1.00 0.00 H new ATOM 0 HA GLU A 298 -2.576 6.917 2.759 1.00 0.00 H new ATOM 0 HB2 GLU A 298 -1.972 4.521 4.534 1.00 0.00 H new ATOM 0 HB3 GLU A 298 -1.839 6.216 4.958 1.00 0.00 H new ATOM 0 HG2 GLU A 298 -4.251 6.488 4.912 1.00 0.00 H new ATOM 0 HG3 GLU A 298 -4.471 4.874 4.264 1.00 0.00 H new ATOM 141 N CYS A 299 -0.131 6.664 2.192 1.00 0.00 N ATOM 142 CA CYS A 299 1.270 6.513 1.812 1.00 0.00 C ATOM 143 C CYS A 299 2.132 6.241 3.032 1.00 0.00 C ATOM 144 O CYS A 299 2.345 7.130 3.869 1.00 0.00 O ATOM 145 CB CYS A 299 1.779 7.765 1.090 1.00 0.00 C ATOM 146 SG CYS A 299 3.562 7.727 0.702 1.00 0.00 S ATOM 0 H CYS A 299 -0.452 7.630 2.260 1.00 0.00 H new ATOM 0 HA CYS A 299 1.339 5.663 1.133 1.00 0.00 H new ATOM 0 HB2 CYS A 299 1.219 7.890 0.163 1.00 0.00 H new ATOM 0 HB3 CYS A 299 1.571 8.638 1.709 1.00 0.00 H new ATOM 0 HG CYS A 299 3.870 8.759 -0.026 1.00 0.00 H new ATOM 151 N ALA A 300 2.609 5.004 3.143 1.00 0.00 N ATOM 152 CA ALA A 300 3.499 4.590 4.235 1.00 0.00 C ATOM 153 C ALA A 300 4.891 5.230 4.139 1.00 0.00 C ATOM 154 O ALA A 300 5.910 4.565 4.325 1.00 0.00 O ATOM 155 CB ALA A 300 3.614 3.077 4.261 1.00 0.00 C ATOM 0 H ALA A 300 2.393 4.258 2.482 1.00 0.00 H new ATOM 0 HA ALA A 300 3.055 4.942 5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 300 4.276 2.776 5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 300 2.628 2.640 4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 300 4.021 2.727 3.313 1.00 0.00 H new ATOM 161 N VAL A 301 4.921 6.521 3.845 1.00 0.00 N ATOM 162 CA VAL A 301 6.158 7.289 3.830 1.00 0.00 C ATOM 163 C VAL A 301 5.963 8.597 4.580 1.00 0.00 C ATOM 164 O VAL A 301 6.517 8.793 5.659 1.00 0.00 O ATOM 165 CB VAL A 301 6.641 7.607 2.395 1.00 0.00 C ATOM 166 CG1 VAL A 301 7.917 8.438 2.428 1.00 0.00 C ATOM 167 CG2 VAL A 301 6.865 6.333 1.597 1.00 0.00 C ATOM 0 H VAL A 301 4.091 7.065 3.611 1.00 0.00 H new ATOM 0 HA VAL A 301 6.917 6.675 4.314 1.00 0.00 H new ATOM 0 HB VAL A 301 5.859 8.186 1.902 1.00 0.00 H new ATOM 0 HG11 VAL A 301 8.239 8.650 1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 301 7.727 9.375 2.951 1.00 0.00 H new ATOM 0 HG13 VAL A 301 8.699 7.884 2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 301 7.204 6.588 0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 301 7.621 5.722 2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 301 5.931 5.774 1.534 1.00 0.00 H new ATOM 177 N CYS A 302 5.144 9.476 4.026 1.00 0.00 N ATOM 178 CA CYS A 302 4.930 10.789 4.615 1.00 0.00 C ATOM 179 C CYS A 302 3.542 10.907 5.233 1.00 0.00 C ATOM 180 O CYS A 302 3.106 11.999 5.599 1.00 0.00 O ATOM 181 CB CYS A 302 5.122 11.869 3.547 1.00 0.00 C ATOM 182 SG CYS A 302 4.154 11.578 2.036 1.00 0.00 S ATOM 0 H CYS A 302 4.617 9.305 3.170 1.00 0.00 H new ATOM 0 HA CYS A 302 5.660 10.926 5.412 1.00 0.00 H new ATOM 0 HB2 CYS A 302 4.844 12.836 3.966 1.00 0.00 H new ATOM 0 HB3 CYS A 302 6.179 11.927 3.286 1.00 0.00 H new ATOM 0 HG CYS A 302 4.957 11.485 1.018 1.00 0.00 H new ATOM 187 N ARG A 303 2.851 9.771 5.342 1.00 0.00 N ATOM 188 CA ARG A 303 1.508 9.721 5.925 1.00 0.00 C ATOM 189 C ARG A 303 0.544 10.666 5.216 1.00 0.00 C ATOM 190 O ARG A 303 -0.320 11.272 5.840 1.00 0.00 O ATOM 191 CB ARG A 303 1.551 10.048 7.419 1.00 0.00 C ATOM 192 CG ARG A 303 2.021 8.892 8.286 1.00 0.00 C ATOM 193 CD ARG A 303 1.147 7.665 8.089 1.00 0.00 C ATOM 194 NE ARG A 303 -0.277 7.992 8.130 1.00 0.00 N ATOM 195 CZ ARG A 303 -1.257 7.103 7.971 1.00 0.00 C ATOM 196 NH1 ARG A 303 -0.989 5.802 7.931 1.00 0.00 N ATOM 197 NH2 ARG A 303 -2.512 7.519 7.891 1.00 0.00 N ATOM 0 H ARG A 303 3.203 8.865 5.031 1.00 0.00 H new ATOM 0 HA ARG A 303 1.141 8.703 5.792 1.00 0.00 H new ATOM 0 HB2 ARG A 303 2.212 10.900 7.576 1.00 0.00 H new ATOM 0 HB3 ARG A 303 0.556 10.352 7.744 1.00 0.00 H new ATOM 0 HG2 ARG A 303 3.055 8.648 8.042 1.00 0.00 H new ATOM 0 HG3 ARG A 303 2.003 9.190 9.334 1.00 0.00 H new ATOM 0 HD2 ARG A 303 1.385 7.201 7.132 1.00 0.00 H new ATOM 0 HD3 ARG A 303 1.373 6.932 8.863 1.00 0.00 H new ATOM 0 HE ARG A 303 -0.538 8.965 8.291 1.00 0.00 H new ATOM 0 HH11 ARG A 303 -0.027 5.476 8.022 1.00 0.00 H new ATOM 0 HH12 ARG A 303 -1.746 5.129 7.809 1.00 0.00 H new ATOM 0 HH21 ARG A 303 -2.724 8.515 7.951 1.00 0.00 H new ATOM 0 HH22 ARG A 303 -3.266 6.843 7.769 1.00 0.00 H new ATOM 211 N ASP A 304 0.686 10.766 3.908 1.00 0.00 N ATOM 212 CA ASP A 304 -0.148 11.658 3.114 1.00 0.00 C ATOM 213 C ASP A 304 -0.812 10.875 1.989 1.00 0.00 C ATOM 214 O ASP A 304 -0.412 9.746 1.699 1.00 0.00 O ATOM 215 CB ASP A 304 0.703 12.802 2.542 1.00 0.00 C ATOM 216 CG ASP A 304 -0.121 13.860 1.841 1.00 0.00 C ATOM 217 OD1 ASP A 304 -1.155 14.285 2.397 1.00 0.00 O ATOM 218 OD2 ASP A 304 0.259 14.270 0.724 1.00 0.00 O ATOM 0 H ASP A 304 1.373 10.240 3.368 1.00 0.00 H new ATOM 0 HA ASP A 304 -0.923 12.087 3.749 1.00 0.00 H new ATOM 0 HB2 ASP A 304 1.268 13.266 3.350 1.00 0.00 H new ATOM 0 HB3 ASP A 304 1.429 12.391 1.841 1.00 0.00 H new ATOM 223 N GLY A 305 -1.833 11.456 1.381 1.00 0.00 N ATOM 224 CA GLY A 305 -2.505 10.814 0.267 1.00 0.00 C ATOM 225 C GLY A 305 -2.371 11.630 -0.994 1.00 0.00 C ATOM 226 O GLY A 305 -1.423 12.399 -1.131 1.00 0.00 O ATOM 0 H GLY A 305 -2.212 12.367 1.640 1.00 0.00 H new ATOM 0 HA2 GLY A 305 -2.083 9.822 0.108 1.00 0.00 H new ATOM 0 HA3 GLY A 305 -3.560 10.678 0.505 1.00 0.00 H new ATOM 230 N GLY A 306 -3.313 11.484 -1.909 1.00 0.00 N ATOM 231 CA GLY A 306 -3.251 12.230 -3.145 1.00 0.00 C ATOM 232 C GLY A 306 -2.919 11.351 -4.325 1.00 0.00 C ATOM 233 O GLY A 306 -3.631 10.387 -4.612 1.00 0.00 O ATOM 0 H GLY A 306 -4.118 10.864 -1.819 1.00 0.00 H new ATOM 0 HA2 GLY A 306 -4.208 12.722 -3.319 1.00 0.00 H new ATOM 0 HA3 GLY A 306 -2.500 13.015 -3.056 1.00 0.00 H new ATOM 237 N GLU A 307 -1.832 11.672 -5.022 1.00 0.00 N ATOM 238 CA GLU A 307 -1.411 10.893 -6.182 1.00 0.00 C ATOM 239 C GLU A 307 -0.647 9.656 -5.736 1.00 0.00 C ATOM 240 O GLU A 307 0.583 9.602 -5.803 1.00 0.00 O ATOM 241 CB GLU A 307 -0.544 11.732 -7.120 1.00 0.00 C ATOM 242 CG GLU A 307 -1.238 12.980 -7.636 1.00 0.00 C ATOM 243 CD GLU A 307 -0.444 13.676 -8.723 1.00 0.00 C ATOM 244 OE1 GLU A 307 0.583 14.312 -8.396 1.00 0.00 O ATOM 245 OE2 GLU A 307 -0.838 13.585 -9.901 1.00 0.00 O ATOM 0 H GLU A 307 -1.228 12.465 -4.804 1.00 0.00 H new ATOM 0 HA GLU A 307 -2.305 10.585 -6.725 1.00 0.00 H new ATOM 0 HB2 GLU A 307 0.367 12.023 -6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 307 -0.241 11.118 -7.968 1.00 0.00 H new ATOM 0 HG2 GLU A 307 -2.221 12.712 -8.023 1.00 0.00 H new ATOM 0 HG3 GLU A 307 -1.399 13.671 -6.809 1.00 0.00 H new ATOM 252 N LEU A 308 -1.385 8.671 -5.260 1.00 0.00 N ATOM 253 CA LEU A 308 -0.793 7.452 -4.754 1.00 0.00 C ATOM 254 C LEU A 308 -0.667 6.401 -5.842 1.00 0.00 C ATOM 255 O LEU A 308 -1.494 6.322 -6.755 1.00 0.00 O ATOM 256 CB LEU A 308 -1.633 6.896 -3.594 1.00 0.00 C ATOM 257 CG LEU A 308 -1.688 7.780 -2.350 1.00 0.00 C ATOM 258 CD1 LEU A 308 -2.603 7.167 -1.309 1.00 0.00 C ATOM 259 CD2 LEU A 308 -0.294 7.982 -1.787 1.00 0.00 C ATOM 0 H LEU A 308 -2.404 8.694 -5.214 1.00 0.00 H new ATOM 0 HA LEU A 308 0.208 7.695 -4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 308 -2.650 6.732 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 308 -1.233 5.922 -3.311 1.00 0.00 H new ATOM 0 HG LEU A 308 -2.090 8.754 -2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 308 -2.632 7.808 -0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 308 -3.608 7.069 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 308 -2.228 6.183 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 308 -0.348 8.614 -0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 308 0.134 7.016 -1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 308 0.335 8.461 -2.537 1.00 0.00 H new ATOM 271 N ILE A 309 0.377 5.601 -5.742 1.00 0.00 N ATOM 272 CA ILE A 309 0.524 4.435 -6.581 1.00 0.00 C ATOM 273 C ILE A 309 0.463 3.211 -5.688 1.00 0.00 C ATOM 274 O ILE A 309 1.215 3.102 -4.712 1.00 0.00 O ATOM 275 CB ILE A 309 1.833 4.460 -7.417 1.00 0.00 C ATOM 276 CG1 ILE A 309 1.941 3.195 -8.276 1.00 0.00 C ATOM 277 CG2 ILE A 309 3.062 4.613 -6.521 1.00 0.00 C ATOM 278 CD1 ILE A 309 3.125 3.194 -9.215 1.00 0.00 C ATOM 0 H ILE A 309 1.141 5.742 -5.081 1.00 0.00 H new ATOM 0 HA ILE A 309 -0.285 4.416 -7.311 1.00 0.00 H new ATOM 0 HB ILE A 309 1.796 5.327 -8.077 1.00 0.00 H new ATOM 0 HG12 ILE A 309 2.008 2.327 -7.620 1.00 0.00 H new ATOM 0 HG13 ILE A 309 1.027 3.084 -8.859 1.00 0.00 H new ATOM 0 HG21 ILE A 309 3.962 4.627 -7.136 1.00 0.00 H new ATOM 0 HG22 ILE A 309 2.991 5.546 -5.962 1.00 0.00 H new ATOM 0 HG23 ILE A 309 3.112 3.775 -5.825 1.00 0.00 H new ATOM 0 HD11 ILE A 309 3.134 2.267 -9.789 1.00 0.00 H new ATOM 0 HD12 ILE A 309 3.050 4.042 -9.896 1.00 0.00 H new ATOM 0 HD13 ILE A 309 4.047 3.273 -8.638 1.00 0.00 H new ATOM 290 N CYS A 310 -0.470 2.322 -5.975 1.00 0.00 N ATOM 291 CA CYS A 310 -0.715 1.177 -5.124 1.00 0.00 C ATOM 292 C CYS A 310 0.176 0.007 -5.508 1.00 0.00 C ATOM 293 O CYS A 310 0.611 -0.113 -6.651 1.00 0.00 O ATOM 294 CB CYS A 310 -2.187 0.784 -5.244 1.00 0.00 C ATOM 295 SG CYS A 310 -2.789 0.687 -6.944 1.00 0.00 S ATOM 0 H CYS A 310 -1.073 2.374 -6.796 1.00 0.00 H new ATOM 0 HA CYS A 310 -0.482 1.442 -4.093 1.00 0.00 H new ATOM 0 HB2 CYS A 310 -2.334 -0.183 -4.762 1.00 0.00 H new ATOM 0 HB3 CYS A 310 -2.791 1.508 -4.697 1.00 0.00 H new ATOM 0 HG CYS A 310 -4.043 0.346 -6.941 1.00 0.00 H new ATOM 301 N CYS A 311 0.444 -0.855 -4.540 1.00 0.00 N ATOM 302 CA CYS A 311 1.328 -1.981 -4.757 1.00 0.00 C ATOM 303 C CYS A 311 0.521 -3.225 -5.122 1.00 0.00 C ATOM 304 O CYS A 311 -0.536 -3.487 -4.545 1.00 0.00 O ATOM 305 CB CYS A 311 2.169 -2.233 -3.513 1.00 0.00 C ATOM 306 SG CYS A 311 3.359 -3.598 -3.694 1.00 0.00 S ATOM 0 H CYS A 311 0.060 -0.793 -3.597 1.00 0.00 H new ATOM 0 HA CYS A 311 1.997 -1.750 -5.586 1.00 0.00 H new ATOM 0 HB2 CYS A 311 2.711 -1.322 -3.262 1.00 0.00 H new ATOM 0 HB3 CYS A 311 1.506 -2.450 -2.676 1.00 0.00 H new ATOM 0 HG CYS A 311 4.301 -3.472 -2.807 1.00 0.00 H new ATOM 311 N ASP A 312 1.036 -3.978 -6.085 1.00 0.00 N ATOM 312 CA ASP A 312 0.372 -5.176 -6.599 1.00 0.00 C ATOM 313 C ASP A 312 0.447 -6.334 -5.598 1.00 0.00 C ATOM 314 O ASP A 312 -0.424 -7.205 -5.576 1.00 0.00 O ATOM 315 CB ASP A 312 1.020 -5.586 -7.929 1.00 0.00 C ATOM 316 CG ASP A 312 0.497 -6.903 -8.471 1.00 0.00 C ATOM 317 OD1 ASP A 312 -0.607 -6.915 -9.055 1.00 0.00 O ATOM 318 OD2 ASP A 312 1.208 -7.927 -8.339 1.00 0.00 O ATOM 0 H ASP A 312 1.929 -3.777 -6.535 1.00 0.00 H new ATOM 0 HA ASP A 312 -0.681 -4.944 -6.756 1.00 0.00 H new ATOM 0 HB2 ASP A 312 0.846 -4.803 -8.667 1.00 0.00 H new ATOM 0 HB3 ASP A 312 2.099 -5.660 -7.792 1.00 0.00 H new ATOM 323 N GLY A 313 1.475 -6.332 -4.769 1.00 0.00 N ATOM 324 CA GLY A 313 1.677 -7.440 -3.862 1.00 0.00 C ATOM 325 C GLY A 313 1.273 -7.121 -2.432 1.00 0.00 C ATOM 326 O GLY A 313 0.713 -7.964 -1.736 1.00 0.00 O ATOM 0 H GLY A 313 2.170 -5.588 -4.707 1.00 0.00 H new ATOM 0 HA2 GLY A 313 1.103 -8.298 -4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 313 2.728 -7.730 -3.880 1.00 0.00 H new ATOM 330 N CYS A 314 1.545 -5.899 -2.001 1.00 0.00 N ATOM 331 CA CYS A 314 1.278 -5.494 -0.634 1.00 0.00 C ATOM 332 C CYS A 314 0.223 -4.396 -0.603 1.00 0.00 C ATOM 333 O CYS A 314 0.068 -3.653 -1.567 1.00 0.00 O ATOM 334 CB CYS A 314 2.565 -5.004 0.032 1.00 0.00 C ATOM 335 SG CYS A 314 3.859 -6.275 0.188 1.00 0.00 S ATOM 0 H CYS A 314 1.953 -5.168 -2.584 1.00 0.00 H new ATOM 0 HA CYS A 314 0.902 -6.356 -0.083 1.00 0.00 H new ATOM 0 HB2 CYS A 314 2.962 -4.167 -0.543 1.00 0.00 H new ATOM 0 HB3 CYS A 314 2.324 -4.623 1.025 1.00 0.00 H new ATOM 0 HG CYS A 314 4.292 -6.601 -0.994 1.00 0.00 H new ATOM 340 N PRO A 315 -0.515 -4.272 0.519 1.00 0.00 N ATOM 341 CA PRO A 315 -1.525 -3.219 0.704 1.00 0.00 C ATOM 342 C PRO A 315 -0.888 -1.847 0.904 1.00 0.00 C ATOM 343 O PRO A 315 -1.559 -0.883 1.268 1.00 0.00 O ATOM 344 CB PRO A 315 -2.277 -3.641 1.978 1.00 0.00 C ATOM 345 CG PRO A 315 -1.826 -5.033 2.270 1.00 0.00 C ATOM 346 CD PRO A 315 -0.448 -5.156 1.694 1.00 0.00 C ATOM 0 HA PRO A 315 -2.170 -3.124 -0.170 1.00 0.00 H new ATOM 0 HB2 PRO A 315 -2.047 -2.973 2.808 1.00 0.00 H new ATOM 0 HB3 PRO A 315 -3.356 -3.602 1.827 1.00 0.00 H new ATOM 0 HG2 PRO A 315 -1.817 -5.222 3.343 1.00 0.00 H new ATOM 0 HG3 PRO A 315 -2.501 -5.763 1.823 1.00 0.00 H new ATOM 0 HD2 PRO A 315 0.317 -4.835 2.400 1.00 0.00 H new ATOM 0 HD3 PRO A 315 -0.214 -6.184 1.416 1.00 0.00 H new ATOM 354 N ARG A 316 0.416 -1.793 0.686 1.00 0.00 N ATOM 355 CA ARG A 316 1.184 -0.561 0.784 1.00 0.00 C ATOM 356 C ARG A 316 0.916 0.368 -0.390 1.00 0.00 C ATOM 357 O ARG A 316 0.821 -0.072 -1.544 1.00 0.00 O ATOM 358 CB ARG A 316 2.680 -0.882 0.865 1.00 0.00 C ATOM 359 CG ARG A 316 3.106 -1.450 2.204 1.00 0.00 C ATOM 360 CD ARG A 316 2.940 -0.421 3.309 1.00 0.00 C ATOM 361 NE ARG A 316 3.204 -0.977 4.635 1.00 0.00 N ATOM 362 CZ ARG A 316 2.532 -0.620 5.723 1.00 0.00 C ATOM 363 NH1 ARG A 316 1.545 0.261 5.639 1.00 0.00 N ATOM 364 NH2 ARG A 316 2.838 -1.148 6.906 1.00 0.00 N ATOM 0 H ARG A 316 0.976 -2.608 0.434 1.00 0.00 H new ATOM 0 HA ARG A 316 0.869 -0.047 1.692 1.00 0.00 H new ATOM 0 HB2 ARG A 316 2.933 -1.595 0.080 1.00 0.00 H new ATOM 0 HB3 ARG A 316 3.249 0.026 0.667 1.00 0.00 H new ATOM 0 HG2 ARG A 316 2.512 -2.335 2.434 1.00 0.00 H new ATOM 0 HG3 ARG A 316 4.147 -1.770 2.153 1.00 0.00 H new ATOM 0 HD2 ARG A 316 3.616 0.415 3.128 1.00 0.00 H new ATOM 0 HD3 ARG A 316 1.926 -0.023 3.281 1.00 0.00 H new ATOM 0 HE ARG A 316 3.942 -1.675 4.729 1.00 0.00 H new ATOM 0 HH11 ARG A 316 1.299 0.667 4.736 1.00 0.00 H new ATOM 0 HH12 ARG A 316 1.031 0.533 6.477 1.00 0.00 H new ATOM 0 HH21 ARG A 316 3.592 -1.831 6.980 1.00 0.00 H new ATOM 0 HH22 ARG A 316 2.318 -0.870 7.738 1.00 0.00 H new ATOM 378 N ALA A 317 0.779 1.651 -0.082 1.00 0.00 N ATOM 379 CA ALA A 317 0.652 2.691 -1.087 1.00 0.00 C ATOM 380 C ALA A 317 1.741 3.734 -0.879 1.00 0.00 C ATOM 381 O ALA A 317 2.152 3.997 0.252 1.00 0.00 O ATOM 382 CB ALA A 317 -0.720 3.339 -1.028 1.00 0.00 C ATOM 0 H ALA A 317 0.753 1.998 0.877 1.00 0.00 H new ATOM 0 HA ALA A 317 0.766 2.241 -2.073 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -0.789 4.114 -1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -1.487 2.585 -1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -0.870 3.783 -0.044 1.00 0.00 H new ATOM 388 N PHE A 318 2.207 4.323 -1.970 1.00 0.00 N ATOM 389 CA PHE A 318 3.319 5.260 -1.911 1.00 0.00 C ATOM 390 C PHE A 318 3.135 6.377 -2.921 1.00 0.00 C ATOM 391 O PHE A 318 2.354 6.252 -3.859 1.00 0.00 O ATOM 392 CB PHE A 318 4.646 4.536 -2.189 1.00 0.00 C ATOM 393 CG PHE A 318 4.948 3.420 -1.229 1.00 0.00 C ATOM 394 CD1 PHE A 318 5.435 3.689 0.038 1.00 0.00 C ATOM 395 CD2 PHE A 318 4.739 2.099 -1.592 1.00 0.00 C ATOM 396 CE1 PHE A 318 5.705 2.664 0.922 1.00 0.00 C ATOM 397 CE2 PHE A 318 5.010 1.073 -0.712 1.00 0.00 C ATOM 398 CZ PHE A 318 5.493 1.353 0.549 1.00 0.00 C ATOM 0 H PHE A 318 1.833 4.169 -2.906 1.00 0.00 H new ATOM 0 HA PHE A 318 3.344 5.688 -0.909 1.00 0.00 H new ATOM 0 HB2 PHE A 318 4.623 4.134 -3.202 1.00 0.00 H new ATOM 0 HB3 PHE A 318 5.458 5.262 -2.153 1.00 0.00 H new ATOM 0 HD1 PHE A 318 5.606 4.712 0.338 1.00 0.00 H new ATOM 0 HD2 PHE A 318 4.359 1.870 -2.577 1.00 0.00 H new ATOM 0 HE1 PHE A 318 6.083 2.889 1.908 1.00 0.00 H new ATOM 0 HE2 PHE A 318 4.844 0.048 -1.011 1.00 0.00 H new ATOM 0 HZ PHE A 318 5.704 0.551 1.240 1.00 0.00 H new ATOM 408 N HIS A 319 3.844 7.477 -2.707 1.00 0.00 N ATOM 409 CA HIS A 319 3.925 8.531 -3.702 1.00 0.00 C ATOM 410 C HIS A 319 5.123 8.279 -4.605 1.00 0.00 C ATOM 411 O HIS A 319 6.097 7.656 -4.175 1.00 0.00 O ATOM 412 CB HIS A 319 4.062 9.915 -3.069 1.00 0.00 C ATOM 413 CG HIS A 319 2.858 10.375 -2.309 1.00 0.00 C ATOM 414 ND1 HIS A 319 2.870 10.475 -0.945 1.00 0.00 N ATOM 415 CD2 HIS A 319 1.657 10.794 -2.777 1.00 0.00 C ATOM 416 CE1 HIS A 319 1.688 10.953 -0.608 1.00 0.00 C ATOM 417 NE2 HIS A 319 0.918 11.160 -1.676 1.00 0.00 N ATOM 0 H HIS A 319 4.370 7.660 -1.853 1.00 0.00 H new ATOM 0 HA HIS A 319 2.997 8.515 -4.274 1.00 0.00 H new ATOM 0 HB2 HIS A 319 4.920 9.909 -2.396 1.00 0.00 H new ATOM 0 HB3 HIS A 319 4.278 10.639 -3.854 1.00 0.00 H new ATOM 0 HD2 HIS A 319 1.343 10.833 -3.809 1.00 0.00 H new ATOM 0 HE1 HIS A 319 1.382 11.152 0.408 1.00 0.00 H new ATOM 0 HE2 HIS A 319 -0.036 11.521 -1.677 1.00 0.00 H new ATOM 425 N LEU A 320 5.061 8.779 -5.833 1.00 0.00 N ATOM 426 CA LEU A 320 6.068 8.485 -6.844 1.00 0.00 C ATOM 427 C LEU A 320 7.475 8.833 -6.355 1.00 0.00 C ATOM 428 O LEU A 320 8.347 7.965 -6.287 1.00 0.00 O ATOM 429 CB LEU A 320 5.742 9.270 -8.120 1.00 0.00 C ATOM 430 CG LEU A 320 5.983 8.518 -9.426 1.00 0.00 C ATOM 431 CD1 LEU A 320 5.155 7.244 -9.464 1.00 0.00 C ATOM 432 CD2 LEU A 320 5.642 9.404 -10.619 1.00 0.00 C ATOM 0 H LEU A 320 4.315 9.396 -6.155 1.00 0.00 H new ATOM 0 HA LEU A 320 6.050 7.415 -7.050 1.00 0.00 H new ATOM 0 HB2 LEU A 320 4.696 9.575 -8.083 1.00 0.00 H new ATOM 0 HB3 LEU A 320 6.339 10.182 -8.129 1.00 0.00 H new ATOM 0 HG LEU A 320 7.038 8.250 -9.481 1.00 0.00 H new ATOM 0 HD11 LEU A 320 5.338 6.719 -10.402 1.00 0.00 H new ATOM 0 HD12 LEU A 320 5.435 6.603 -8.628 1.00 0.00 H new ATOM 0 HD13 LEU A 320 4.097 7.495 -9.389 1.00 0.00 H new ATOM 0 HD21 LEU A 320 5.819 8.854 -11.543 1.00 0.00 H new ATOM 0 HD22 LEU A 320 4.594 9.697 -10.566 1.00 0.00 H new ATOM 0 HD23 LEU A 320 6.269 10.295 -10.601 1.00 0.00 H new ATOM 444 N ALA A 321 7.683 10.091 -5.974 1.00 0.00 N ATOM 445 CA ALA A 321 8.998 10.544 -5.531 1.00 0.00 C ATOM 446 C ALA A 321 9.271 10.181 -4.072 1.00 0.00 C ATOM 447 O ALA A 321 10.423 10.152 -3.640 1.00 0.00 O ATOM 448 CB ALA A 321 9.123 12.047 -5.733 1.00 0.00 C ATOM 0 H ALA A 321 6.961 10.812 -5.963 1.00 0.00 H new ATOM 0 HA ALA A 321 9.745 10.031 -6.136 1.00 0.00 H new ATOM 0 HB1 ALA A 321 10.107 12.378 -5.400 1.00 0.00 H new ATOM 0 HB2 ALA A 321 8.999 12.284 -6.790 1.00 0.00 H new ATOM 0 HB3 ALA A 321 8.353 12.557 -5.154 1.00 0.00 H new ATOM 454 N CYS A 322 8.215 9.911 -3.319 1.00 0.00 N ATOM 455 CA CYS A 322 8.366 9.530 -1.918 1.00 0.00 C ATOM 456 C CYS A 322 8.924 8.117 -1.799 1.00 0.00 C ATOM 457 O CYS A 322 9.368 7.701 -0.729 1.00 0.00 O ATOM 458 CB CYS A 322 7.030 9.636 -1.185 1.00 0.00 C ATOM 459 SG CYS A 322 6.384 11.336 -1.069 1.00 0.00 S ATOM 0 H CYS A 322 7.250 9.947 -3.649 1.00 0.00 H new ATOM 0 HA CYS A 322 9.072 10.219 -1.454 1.00 0.00 H new ATOM 0 HB2 CYS A 322 6.296 9.013 -1.696 1.00 0.00 H new ATOM 0 HB3 CYS A 322 7.146 9.232 -0.179 1.00 0.00 H new ATOM 0 HG CYS A 322 5.084 11.306 -1.054 1.00 0.00 H new ATOM 464 N LEU A 323 8.880 7.379 -2.900 1.00 0.00 N ATOM 465 CA LEU A 323 9.500 6.063 -2.967 1.00 0.00 C ATOM 466 C LEU A 323 11.006 6.183 -2.745 1.00 0.00 C ATOM 467 O LEU A 323 11.590 7.244 -2.971 1.00 0.00 O ATOM 468 CB LEU A 323 9.231 5.432 -4.327 1.00 0.00 C ATOM 469 CG LEU A 323 9.394 3.914 -4.388 1.00 0.00 C ATOM 470 CD1 LEU A 323 8.322 3.233 -3.558 1.00 0.00 C ATOM 471 CD2 LEU A 323 9.341 3.426 -5.832 1.00 0.00 C ATOM 0 H LEU A 323 8.419 7.671 -3.762 1.00 0.00 H new ATOM 0 HA LEU A 323 9.073 5.432 -2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 323 8.215 5.684 -4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 323 9.903 5.882 -5.057 1.00 0.00 H new ATOM 0 HG LEU A 323 10.369 3.656 -3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 323 8.452 2.152 -3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 323 8.404 3.557 -2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 323 7.338 3.500 -3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 323 9.459 2.343 -5.854 1.00 0.00 H new ATOM 0 HD22 LEU A 323 8.381 3.696 -6.272 1.00 0.00 H new ATOM 0 HD23 LEU A 323 10.145 3.890 -6.403 1.00 0.00 H new ATOM 483 N SER A 324 11.632 5.111 -2.280 1.00 0.00 N ATOM 484 CA SER A 324 13.071 5.101 -2.072 1.00 0.00 C ATOM 485 C SER A 324 13.664 3.806 -2.631 1.00 0.00 C ATOM 486 O SER A 324 13.480 2.735 -2.043 1.00 0.00 O ATOM 487 CB SER A 324 13.383 5.243 -0.584 1.00 0.00 C ATOM 488 OG SER A 324 14.760 5.485 -0.357 1.00 0.00 O ATOM 0 H SER A 324 11.164 4.237 -2.040 1.00 0.00 H new ATOM 0 HA SER A 324 13.520 5.944 -2.598 1.00 0.00 H new ATOM 0 HB2 SER A 324 12.796 6.061 -0.166 1.00 0.00 H new ATOM 0 HB3 SER A 324 13.082 4.335 -0.061 1.00 0.00 H new ATOM 0 HG SER A 324 14.923 5.572 0.605 1.00 0.00 H new ATOM 494 N PRO A 325 14.370 3.864 -3.783 1.00 0.00 N ATOM 495 CA PRO A 325 14.624 5.107 -4.525 1.00 0.00 C ATOM 496 C PRO A 325 13.369 5.651 -5.213 1.00 0.00 C ATOM 497 O PRO A 325 12.452 4.896 -5.534 1.00 0.00 O ATOM 498 CB PRO A 325 15.659 4.677 -5.564 1.00 0.00 C ATOM 499 CG PRO A 325 15.410 3.225 -5.769 1.00 0.00 C ATOM 500 CD PRO A 325 14.977 2.693 -4.441 1.00 0.00 C ATOM 0 HA PRO A 325 14.954 5.915 -3.872 1.00 0.00 H new ATOM 0 HB2 PRO A 325 15.541 5.234 -6.494 1.00 0.00 H new ATOM 0 HB3 PRO A 325 16.674 4.858 -5.210 1.00 0.00 H new ATOM 0 HG2 PRO A 325 14.641 3.063 -6.524 1.00 0.00 H new ATOM 0 HG3 PRO A 325 16.311 2.720 -6.118 1.00 0.00 H new ATOM 0 HD2 PRO A 325 14.262 1.878 -4.549 1.00 0.00 H new ATOM 0 HD3 PRO A 325 15.820 2.304 -3.870 1.00 0.00 H new ATOM 508 N PRO A 326 13.327 6.976 -5.435 1.00 0.00 N ATOM 509 CA PRO A 326 12.153 7.653 -6.003 1.00 0.00 C ATOM 510 C PRO A 326 11.843 7.215 -7.436 1.00 0.00 C ATOM 511 O PRO A 326 12.721 7.192 -8.298 1.00 0.00 O ATOM 512 CB PRO A 326 12.534 9.138 -5.968 1.00 0.00 C ATOM 513 CG PRO A 326 14.021 9.155 -5.911 1.00 0.00 C ATOM 514 CD PRO A 326 14.420 7.922 -5.161 1.00 0.00 C ATOM 0 HA PRO A 326 11.250 7.416 -5.440 1.00 0.00 H new ATOM 0 HB2 PRO A 326 12.167 9.660 -6.852 1.00 0.00 H new ATOM 0 HB3 PRO A 326 12.100 9.636 -5.101 1.00 0.00 H new ATOM 0 HG2 PRO A 326 14.450 9.158 -6.913 1.00 0.00 H new ATOM 0 HG3 PRO A 326 14.382 10.052 -5.407 1.00 0.00 H new ATOM 0 HD2 PRO A 326 15.379 7.536 -5.507 1.00 0.00 H new ATOM 0 HD3 PRO A 326 14.521 8.118 -4.094 1.00 0.00 H new ATOM 522 N LEU A 327 10.586 6.879 -7.665 1.00 0.00 N ATOM 523 CA LEU A 327 10.114 6.451 -8.969 1.00 0.00 C ATOM 524 C LEU A 327 9.800 7.671 -9.832 1.00 0.00 C ATOM 525 O LEU A 327 9.145 8.612 -9.383 1.00 0.00 O ATOM 526 CB LEU A 327 8.867 5.585 -8.776 1.00 0.00 C ATOM 527 CG LEU A 327 8.177 5.095 -10.038 1.00 0.00 C ATOM 528 CD1 LEU A 327 9.152 4.347 -10.938 1.00 0.00 C ATOM 529 CD2 LEU A 327 7.001 4.204 -9.680 1.00 0.00 C ATOM 0 H LEU A 327 9.861 6.896 -6.948 1.00 0.00 H new ATOM 0 HA LEU A 327 10.882 5.868 -9.477 1.00 0.00 H new ATOM 0 HB2 LEU A 327 9.145 4.716 -8.180 1.00 0.00 H new ATOM 0 HB3 LEU A 327 8.144 6.154 -8.192 1.00 0.00 H new ATOM 0 HG LEU A 327 7.810 5.963 -10.585 1.00 0.00 H new ATOM 0 HD11 LEU A 327 8.633 4.007 -11.834 1.00 0.00 H new ATOM 0 HD12 LEU A 327 9.968 5.011 -11.222 1.00 0.00 H new ATOM 0 HD13 LEU A 327 9.554 3.486 -10.403 1.00 0.00 H new ATOM 0 HD21 LEU A 327 6.515 3.859 -10.593 1.00 0.00 H new ATOM 0 HD22 LEU A 327 7.356 3.345 -9.111 1.00 0.00 H new ATOM 0 HD23 LEU A 327 6.287 4.768 -9.079 1.00 0.00 H new ATOM 541 N ARG A 328 10.291 7.655 -11.073 1.00 0.00 N ATOM 542 CA ARG A 328 10.137 8.791 -11.978 1.00 0.00 C ATOM 543 C ARG A 328 8.756 8.827 -12.618 1.00 0.00 C ATOM 544 O ARG A 328 8.104 9.864 -12.628 1.00 0.00 O ATOM 545 CB ARG A 328 11.196 8.754 -13.077 1.00 0.00 C ATOM 546 CG ARG A 328 12.604 9.068 -12.606 1.00 0.00 C ATOM 547 CD ARG A 328 13.581 9.075 -13.773 1.00 0.00 C ATOM 548 NE ARG A 328 14.918 9.509 -13.380 1.00 0.00 N ATOM 549 CZ ARG A 328 15.817 10.013 -14.228 1.00 0.00 C ATOM 550 NH1 ARG A 328 15.542 10.103 -15.525 1.00 0.00 N ATOM 551 NH2 ARG A 328 16.999 10.407 -13.769 1.00 0.00 N ATOM 0 H ARG A 328 10.799 6.866 -11.473 1.00 0.00 H new ATOM 0 HA ARG A 328 10.262 9.691 -11.376 1.00 0.00 H new ATOM 0 HB2 ARG A 328 11.192 7.765 -13.535 1.00 0.00 H new ATOM 0 HB3 ARG A 328 10.919 9.466 -13.855 1.00 0.00 H new ATOM 0 HG2 ARG A 328 12.617 10.039 -12.110 1.00 0.00 H new ATOM 0 HG3 ARG A 328 12.918 8.329 -11.869 1.00 0.00 H new ATOM 0 HD2 ARG A 328 13.638 8.074 -14.201 1.00 0.00 H new ATOM 0 HD3 ARG A 328 13.204 9.734 -14.555 1.00 0.00 H new ATOM 0 HE ARG A 328 15.181 9.422 -12.398 1.00 0.00 H new ATOM 0 HH11 ARG A 328 14.639 9.786 -15.878 1.00 0.00 H new ATOM 0 HH12 ARG A 328 16.234 10.489 -16.167 1.00 0.00 H new ATOM 0 HH21 ARG A 328 17.214 10.323 -12.775 1.00 0.00 H new ATOM 0 HH22 ARG A 328 17.692 10.793 -14.410 1.00 0.00 H new ATOM 565 N GLU A 329 8.312 7.700 -13.152 1.00 0.00 N ATOM 566 CA GLU A 329 7.065 7.655 -13.895 1.00 0.00 C ATOM 567 C GLU A 329 6.242 6.451 -13.470 1.00 0.00 C ATOM 568 O GLU A 329 6.792 5.450 -13.024 1.00 0.00 O ATOM 569 CB GLU A 329 7.363 7.574 -15.398 1.00 0.00 C ATOM 570 CG GLU A 329 8.141 8.767 -15.931 1.00 0.00 C ATOM 571 CD GLU A 329 8.638 8.547 -17.339 1.00 0.00 C ATOM 572 OE1 GLU A 329 9.756 8.010 -17.501 1.00 0.00 O ATOM 573 OE2 GLU A 329 7.915 8.894 -18.289 1.00 0.00 O ATOM 0 H GLU A 329 8.797 6.805 -13.084 1.00 0.00 H new ATOM 0 HA GLU A 329 6.496 8.561 -13.686 1.00 0.00 H new ATOM 0 HB2 GLU A 329 7.928 6.664 -15.599 1.00 0.00 H new ATOM 0 HB3 GLU A 329 6.422 7.492 -15.942 1.00 0.00 H new ATOM 0 HG2 GLU A 329 7.505 9.652 -15.907 1.00 0.00 H new ATOM 0 HG3 GLU A 329 8.989 8.966 -15.276 1.00 0.00 H new ATOM 580 N ILE A 330 4.924 6.564 -13.594 1.00 0.00 N ATOM 581 CA ILE A 330 4.025 5.473 -13.237 1.00 0.00 C ATOM 582 C ILE A 330 4.042 4.389 -14.313 1.00 0.00 C ATOM 583 O ILE A 330 3.576 4.612 -15.432 1.00 0.00 O ATOM 584 CB ILE A 330 2.577 5.972 -13.036 1.00 0.00 C ATOM 585 CG1 ILE A 330 2.535 7.077 -11.975 1.00 0.00 C ATOM 586 CG2 ILE A 330 1.666 4.815 -12.636 1.00 0.00 C ATOM 587 CD1 ILE A 330 1.152 7.655 -11.752 1.00 0.00 C ATOM 0 H ILE A 330 4.454 7.401 -13.939 1.00 0.00 H new ATOM 0 HA ILE A 330 4.381 5.057 -12.295 1.00 0.00 H new ATOM 0 HB ILE A 330 2.219 6.384 -13.979 1.00 0.00 H new ATOM 0 HG12 ILE A 330 2.909 6.678 -11.032 1.00 0.00 H new ATOM 0 HG13 ILE A 330 3.211 7.879 -12.271 1.00 0.00 H new ATOM 0 HG21 ILE A 330 0.649 5.183 -12.498 1.00 0.00 H new ATOM 0 HG22 ILE A 330 1.674 4.058 -13.420 1.00 0.00 H new ATOM 0 HG23 ILE A 330 2.023 4.377 -11.704 1.00 0.00 H new ATOM 0 HD11 ILE A 330 1.201 8.431 -10.988 1.00 0.00 H new ATOM 0 HD12 ILE A 330 0.783 8.085 -12.683 1.00 0.00 H new ATOM 0 HD13 ILE A 330 0.476 6.865 -11.424 1.00 0.00 H new ATOM 599 N PRO A 331 4.583 3.205 -13.987 1.00 0.00 N ATOM 600 CA PRO A 331 4.688 2.090 -14.923 1.00 0.00 C ATOM 601 C PRO A 331 3.359 1.365 -15.113 1.00 0.00 C ATOM 602 O PRO A 331 2.491 1.392 -14.234 1.00 0.00 O ATOM 603 CB PRO A 331 5.711 1.148 -14.262 1.00 0.00 C ATOM 604 CG PRO A 331 6.194 1.851 -13.029 1.00 0.00 C ATOM 605 CD PRO A 331 5.137 2.856 -12.680 1.00 0.00 C ATOM 0 HA PRO A 331 4.981 2.429 -15.917 1.00 0.00 H new ATOM 0 HB2 PRO A 331 5.253 0.192 -14.010 1.00 0.00 H new ATOM 0 HB3 PRO A 331 6.539 0.937 -14.939 1.00 0.00 H new ATOM 0 HG2 PRO A 331 6.345 1.145 -12.212 1.00 0.00 H new ATOM 0 HG3 PRO A 331 7.152 2.340 -13.209 1.00 0.00 H new ATOM 0 HD2 PRO A 331 4.380 2.435 -12.019 1.00 0.00 H new ATOM 0 HD3 PRO A 331 5.556 3.725 -12.172 1.00 0.00 H new ATOM 613 N SER A 332 3.206 0.730 -16.259 1.00 0.00 N ATOM 614 CA SER A 332 2.013 -0.047 -16.555 1.00 0.00 C ATOM 615 C SER A 332 2.284 -1.533 -16.339 1.00 0.00 C ATOM 616 O SER A 332 3.024 -2.157 -17.103 1.00 0.00 O ATOM 617 CB SER A 332 1.558 0.213 -17.989 1.00 0.00 C ATOM 618 OG SER A 332 1.350 1.600 -18.208 1.00 0.00 O ATOM 0 H SER A 332 3.899 0.736 -17.008 1.00 0.00 H new ATOM 0 HA SER A 332 1.216 0.260 -15.878 1.00 0.00 H new ATOM 0 HB2 SER A 332 2.307 -0.162 -18.687 1.00 0.00 H new ATOM 0 HB3 SER A 332 0.636 -0.333 -18.188 1.00 0.00 H new ATOM 0 HG SER A 332 1.061 1.745 -19.133 1.00 0.00 H new ATOM 624 N GLY A 333 1.707 -2.088 -15.289 1.00 0.00 N ATOM 625 CA GLY A 333 1.897 -3.492 -14.994 1.00 0.00 C ATOM 626 C GLY A 333 1.812 -3.782 -13.514 1.00 0.00 C ATOM 627 O GLY A 333 1.123 -3.076 -12.775 1.00 0.00 O ATOM 0 H GLY A 333 1.107 -1.590 -14.631 1.00 0.00 H new ATOM 0 HA2 GLY A 333 1.143 -4.077 -15.521 1.00 0.00 H new ATOM 0 HA3 GLY A 333 2.869 -3.812 -15.370 1.00 0.00 H new ATOM 631 N THR A 334 2.526 -4.798 -13.077 1.00 0.00 N ATOM 632 CA THR A 334 2.489 -5.212 -11.691 1.00 0.00 C ATOM 633 C THR A 334 3.552 -4.477 -10.889 1.00 0.00 C ATOM 634 O THR A 334 4.655 -4.990 -10.682 1.00 0.00 O ATOM 635 CB THR A 334 2.696 -6.734 -11.566 1.00 0.00 C ATOM 636 OG1 THR A 334 3.876 -7.133 -12.276 1.00 0.00 O ATOM 637 CG2 THR A 334 1.498 -7.495 -12.110 1.00 0.00 C ATOM 0 H THR A 334 3.143 -5.356 -13.667 1.00 0.00 H new ATOM 0 HA THR A 334 1.506 -4.962 -11.291 1.00 0.00 H new ATOM 0 HB THR A 334 2.809 -6.970 -10.508 1.00 0.00 H new ATOM 0 HG1 THR A 334 4.600 -6.498 -12.091 1.00 0.00 H new ATOM 0 HG21 THR A 334 1.671 -8.566 -12.009 1.00 0.00 H new ATOM 0 HG22 THR A 334 0.605 -7.217 -11.549 1.00 0.00 H new ATOM 0 HG23 THR A 334 1.357 -7.248 -13.162 1.00 0.00 H new ATOM 645 N TRP A 335 3.227 -3.272 -10.436 1.00 0.00 N ATOM 646 CA TRP A 335 4.165 -2.489 -9.655 1.00 0.00 C ATOM 647 C TRP A 335 4.244 -3.055 -8.246 1.00 0.00 C ATOM 648 O TRP A 335 3.237 -3.144 -7.541 1.00 0.00 O ATOM 649 CB TRP A 335 3.778 -1.013 -9.602 1.00 0.00 C ATOM 650 CG TRP A 335 4.797 -0.188 -8.871 1.00 0.00 C ATOM 651 CD1 TRP A 335 5.953 0.322 -9.386 1.00 0.00 C ATOM 652 CD2 TRP A 335 4.769 0.194 -7.494 1.00 0.00 C ATOM 653 NE1 TRP A 335 6.644 1.001 -8.414 1.00 0.00 N ATOM 654 CE2 TRP A 335 5.939 0.936 -7.243 1.00 0.00 C ATOM 655 CE3 TRP A 335 3.870 -0.015 -6.445 1.00 0.00 C ATOM 656 CZ2 TRP A 335 6.231 1.464 -5.990 1.00 0.00 C ATOM 657 CZ3 TRP A 335 4.162 0.510 -5.200 1.00 0.00 C ATOM 658 CH2 TRP A 335 5.336 1.241 -4.980 1.00 0.00 C ATOM 0 H TRP A 335 2.326 -2.822 -10.597 1.00 0.00 H new ATOM 0 HA TRP A 335 5.139 -2.552 -10.140 1.00 0.00 H new ATOM 0 HB2 TRP A 335 3.664 -0.632 -10.617 1.00 0.00 H new ATOM 0 HB3 TRP A 335 2.810 -0.910 -9.112 1.00 0.00 H new ATOM 0 HD1 TRP A 335 6.277 0.208 -10.410 1.00 0.00 H new ATOM 0 HE1 TRP A 335 7.537 1.476 -8.543 1.00 0.00 H new ATOM 0 HE3 TRP A 335 2.962 -0.577 -6.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 335 7.134 2.031 -5.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 335 3.473 0.354 -4.383 1.00 0.00 H new ATOM 0 HH2 TRP A 335 5.538 1.636 -3.995 1.00 0.00 H new ATOM 669 N ARG A 336 5.435 -3.451 -7.839 1.00 0.00 N ATOM 670 CA ARG A 336 5.626 -4.072 -6.544 1.00 0.00 C ATOM 671 C ARG A 336 6.715 -3.330 -5.785 1.00 0.00 C ATOM 672 O ARG A 336 7.805 -3.105 -6.307 1.00 0.00 O ATOM 673 CB ARG A 336 5.948 -5.558 -6.726 1.00 0.00 C ATOM 674 CG ARG A 336 4.781 -6.322 -7.334 1.00 0.00 C ATOM 675 CD ARG A 336 5.118 -7.767 -7.639 1.00 0.00 C ATOM 676 NE ARG A 336 3.972 -8.462 -8.230 1.00 0.00 N ATOM 677 CZ ARG A 336 4.064 -9.498 -9.058 1.00 0.00 C ATOM 678 NH1 ARG A 336 5.249 -9.969 -9.421 1.00 0.00 N ATOM 679 NH2 ARG A 336 2.964 -10.054 -9.534 1.00 0.00 N ATOM 0 H ARG A 336 6.288 -3.353 -8.390 1.00 0.00 H new ATOM 0 HA ARG A 336 4.712 -4.010 -5.953 1.00 0.00 H new ATOM 0 HB2 ARG A 336 6.824 -5.664 -7.366 1.00 0.00 H new ATOM 0 HB3 ARG A 336 6.204 -5.995 -5.761 1.00 0.00 H new ATOM 0 HG2 ARG A 336 3.934 -6.288 -6.648 1.00 0.00 H new ATOM 0 HG3 ARG A 336 4.467 -5.826 -8.252 1.00 0.00 H new ATOM 0 HD2 ARG A 336 5.965 -7.809 -8.323 1.00 0.00 H new ATOM 0 HD3 ARG A 336 5.422 -8.274 -6.723 1.00 0.00 H new ATOM 0 HE ARG A 336 3.039 -8.128 -7.990 1.00 0.00 H new ATOM 0 HH11 ARG A 336 6.101 -9.536 -9.064 1.00 0.00 H new ATOM 0 HH12 ARG A 336 5.309 -10.764 -10.057 1.00 0.00 H new ATOM 0 HH21 ARG A 336 2.050 -9.688 -9.266 1.00 0.00 H new ATOM 0 HH22 ARG A 336 3.028 -10.849 -10.170 1.00 0.00 H new ATOM 693 N CYS A 337 6.393 -2.925 -4.563 1.00 0.00 N ATOM 694 CA CYS A 337 7.291 -2.097 -3.761 1.00 0.00 C ATOM 695 C CYS A 337 8.496 -2.894 -3.256 1.00 0.00 C ATOM 696 O CYS A 337 8.602 -4.096 -3.512 1.00 0.00 O ATOM 697 CB CYS A 337 6.532 -1.489 -2.583 1.00 0.00 C ATOM 698 SG CYS A 337 5.828 -2.721 -1.444 1.00 0.00 S ATOM 0 H CYS A 337 5.513 -3.157 -4.102 1.00 0.00 H new ATOM 0 HA CYS A 337 7.666 -1.298 -4.401 1.00 0.00 H new ATOM 0 HB2 CYS A 337 7.206 -0.838 -2.027 1.00 0.00 H new ATOM 0 HB3 CYS A 337 5.727 -0.862 -2.967 1.00 0.00 H new ATOM 0 HG CYS A 337 5.392 -2.124 -0.374 1.00 0.00 H new ATOM 703 N SER A 338 9.378 -2.236 -2.510 1.00 0.00 N ATOM 704 CA SER A 338 10.601 -2.874 -2.038 1.00 0.00 C ATOM 705 C SER A 338 10.270 -4.068 -1.145 1.00 0.00 C ATOM 706 O SER A 338 10.933 -5.107 -1.206 1.00 0.00 O ATOM 707 CB SER A 338 11.479 -1.861 -1.295 1.00 0.00 C ATOM 708 OG SER A 338 12.729 -2.429 -0.926 1.00 0.00 O ATOM 0 H SER A 338 9.269 -1.264 -2.220 1.00 0.00 H new ATOM 0 HA SER A 338 11.159 -3.240 -2.900 1.00 0.00 H new ATOM 0 HB2 SER A 338 11.646 -0.989 -1.928 1.00 0.00 H new ATOM 0 HB3 SER A 338 10.959 -1.512 -0.403 1.00 0.00 H new ATOM 0 HG SER A 338 13.267 -1.758 -0.455 1.00 0.00 H new ATOM 714 N SER A 339 9.227 -3.923 -0.328 1.00 0.00 N ATOM 715 CA SER A 339 8.768 -5.003 0.535 1.00 0.00 C ATOM 716 C SER A 339 8.512 -6.277 -0.274 1.00 0.00 C ATOM 717 O SER A 339 8.942 -7.360 0.111 1.00 0.00 O ATOM 718 CB SER A 339 7.500 -4.579 1.278 1.00 0.00 C ATOM 719 OG SER A 339 7.101 -5.560 2.228 1.00 0.00 O ATOM 0 H SER A 339 8.684 -3.063 -0.248 1.00 0.00 H new ATOM 0 HA SER A 339 9.550 -5.217 1.264 1.00 0.00 H new ATOM 0 HB2 SER A 339 7.674 -3.630 1.785 1.00 0.00 H new ATOM 0 HB3 SER A 339 6.695 -4.415 0.562 1.00 0.00 H new ATOM 0 HG SER A 339 6.289 -5.259 2.687 1.00 0.00 H new ATOM 725 N CYS A 340 7.837 -6.134 -1.405 1.00 0.00 N ATOM 726 CA CYS A 340 7.565 -7.268 -2.290 1.00 0.00 C ATOM 727 C CYS A 340 8.858 -7.843 -2.862 1.00 0.00 C ATOM 728 O CYS A 340 9.032 -9.061 -2.926 1.00 0.00 O ATOM 729 CB CYS A 340 6.652 -6.855 -3.438 1.00 0.00 C ATOM 730 SG CYS A 340 5.013 -6.266 -2.918 1.00 0.00 S ATOM 0 H CYS A 340 7.465 -5.244 -1.736 1.00 0.00 H new ATOM 0 HA CYS A 340 7.069 -8.032 -1.692 1.00 0.00 H new ATOM 0 HB2 CYS A 340 7.142 -6.068 -4.011 1.00 0.00 H new ATOM 0 HB3 CYS A 340 6.524 -7.705 -4.108 1.00 0.00 H new ATOM 0 HG CYS A 340 4.777 -5.108 -3.458 1.00 0.00 H new ATOM 735 N LEU A 341 9.764 -6.961 -3.260 1.00 0.00 N ATOM 736 CA LEU A 341 11.013 -7.367 -3.893 1.00 0.00 C ATOM 737 C LEU A 341 11.882 -8.174 -2.932 1.00 0.00 C ATOM 738 O LEU A 341 12.613 -9.075 -3.349 1.00 0.00 O ATOM 739 CB LEU A 341 11.782 -6.141 -4.388 1.00 0.00 C ATOM 740 CG LEU A 341 11.025 -5.264 -5.397 1.00 0.00 C ATOM 741 CD1 LEU A 341 11.869 -4.068 -5.801 1.00 0.00 C ATOM 742 CD2 LEU A 341 10.623 -6.078 -6.611 1.00 0.00 C ATOM 0 H LEU A 341 9.657 -5.952 -3.155 1.00 0.00 H new ATOM 0 HA LEU A 341 10.765 -8.001 -4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 341 12.052 -5.528 -3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 341 12.713 -6.475 -4.846 1.00 0.00 H new ATOM 0 HG LEU A 341 10.117 -4.893 -4.922 1.00 0.00 H new ATOM 0 HD11 LEU A 341 11.317 -3.458 -6.516 1.00 0.00 H new ATOM 0 HD12 LEU A 341 12.101 -3.472 -4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 341 12.796 -4.415 -6.259 1.00 0.00 H new ATOM 0 HD21 LEU A 341 10.088 -5.441 -7.315 1.00 0.00 H new ATOM 0 HD22 LEU A 341 11.515 -6.480 -7.091 1.00 0.00 H new ATOM 0 HD23 LEU A 341 9.977 -6.899 -6.301 1.00 0.00 H new