USER MOD reduce.3.24.130724 H: found=0, std=0, add=225, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 227 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 ASN : amide:sc= 0.00439 K(o=0.0087,f=-0.63) USER MOD Set 1.2: A 302 LYS NZ :NH3+ -125:sc= 0.00427 (180deg=-0.044) USER MOD Single : A 305 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 LYS NZ :NH3+ -143:sc= 1.26 (180deg=-0.842) USER MOD Single : A 308 LYS NZ :NH3+ 167:sc=-0.00479 (180deg=-0.143) USER MOD Single : A 312 LYS NZ :NH3+ -156:sc= -0.373 (180deg=-0.458) USER MOD Single : A 319 LYS NZ :NH3+ -125:sc= -0.151 (180deg=-1.25) USER MOD Single : A 322 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N ASN A 299 15.254 -1.458 1.176 1.00 25.00 N ATOM 18 CA ASN A 299 14.658 -2.358 0.166 1.00 25.00 C ATOM 19 C ASN A 299 14.858 -3.852 0.466 1.00 25.00 C ATOM 20 O ASN A 299 14.023 -4.683 0.125 1.00 25.00 O ATOM 21 CB ASN A 299 15.251 -2.037 -1.216 1.00 25.00 C ATOM 22 CG ASN A 299 14.519 -2.742 -2.344 1.00 25.00 C ATOM 23 OD1 ASN A 299 13.311 -2.932 -2.296 1.00 25.00 O ATOM 24 ND2 ASN A 299 15.243 -3.122 -3.359 1.00 25.00 N ATOM 0 HA ASN A 299 13.583 -2.177 0.190 1.00 25.00 H new ATOM 0 HB2 ASN A 299 15.215 -0.960 -1.382 1.00 25.00 H new ATOM 0 HB3 ASN A 299 16.302 -2.327 -1.233 1.00 25.00 H new ATOM 0 HD21 ASN A 299 14.805 -3.595 -4.149 1.00 25.00 H new ATOM 0 HD22 ASN A 299 16.248 -2.946 -3.363 1.00 25.00 H new ATOM 31 N ARG A 300 15.943 -4.180 1.157 1.00 25.00 N ATOM 32 CA ARG A 300 16.243 -5.570 1.533 1.00 25.00 C ATOM 33 C ARG A 300 15.082 -6.242 2.280 1.00 25.00 C ATOM 34 O ARG A 300 14.852 -7.434 2.120 1.00 25.00 O ATOM 35 CB ARG A 300 17.522 -5.608 2.393 1.00 25.00 C ATOM 36 CG ARG A 300 18.103 -7.017 2.616 1.00 25.00 C ATOM 37 CD ARG A 300 19.402 -6.956 3.434 1.00 25.00 C ATOM 38 NE ARG A 300 20.009 -8.290 3.616 1.00 25.00 N ATOM 39 CZ ARG A 300 21.130 -8.540 4.290 1.00 25.00 C ATOM 40 NH1 ARG A 300 21.825 -7.594 4.876 1.00 25.00 N ATOM 41 NH2 ARG A 300 21.562 -9.766 4.376 1.00 25.00 N ATOM 0 H ARG A 300 16.638 -3.503 1.473 1.00 25.00 H new ATOM 0 HA ARG A 300 16.395 -6.133 0.612 1.00 25.00 H new ATOM 0 HB2 ARG A 300 18.282 -4.987 1.918 1.00 25.00 H new ATOM 0 HB3 ARG A 300 17.305 -5.161 3.363 1.00 25.00 H new ATOM 0 HG2 ARG A 300 17.372 -7.637 3.134 1.00 25.00 H new ATOM 0 HG3 ARG A 300 18.297 -7.490 1.654 1.00 25.00 H new ATOM 0 HD2 ARG A 300 20.114 -6.300 2.934 1.00 25.00 H new ATOM 0 HD3 ARG A 300 19.195 -6.517 4.410 1.00 25.00 H new ATOM 0 HE ARG A 300 19.531 -9.084 3.191 1.00 25.00 H new ATOM 0 HH11 ARG A 300 21.512 -6.625 4.825 1.00 25.00 H new ATOM 0 HH12 ARG A 300 22.679 -7.828 5.383 1.00 25.00 H new ATOM 0 HH21 ARG A 300 21.043 -10.522 3.930 1.00 25.00 H new ATOM 0 HH22 ARG A 300 22.419 -9.970 4.890 1.00 25.00 H new ATOM 55 N ARG A 301 14.332 -5.476 3.068 1.00 25.00 N ATOM 56 CA ARG A 301 13.211 -6.034 3.838 1.00 25.00 C ATOM 57 C ARG A 301 12.130 -6.625 2.927 1.00 25.00 C ATOM 58 O ARG A 301 11.716 -7.760 3.121 1.00 25.00 O ATOM 59 CB ARG A 301 12.608 -4.953 4.751 1.00 25.00 C ATOM 60 CG ARG A 301 11.631 -5.477 5.823 1.00 25.00 C ATOM 61 CD ARG A 301 12.365 -6.113 7.013 1.00 25.00 C ATOM 62 NE ARG A 301 11.434 -6.463 8.103 1.00 25.00 N ATOM 63 CZ ARG A 301 11.787 -6.944 9.294 1.00 25.00 C ATOM 64 NH1 ARG A 301 13.037 -7.163 9.621 1.00 25.00 N ATOM 65 NH2 ARG A 301 10.863 -7.201 10.177 1.00 25.00 N ATOM 0 H ARG A 301 14.474 -4.474 3.193 1.00 25.00 H new ATOM 0 HA ARG A 301 13.602 -6.847 4.450 1.00 25.00 H new ATOM 0 HB2 ARG A 301 13.421 -4.424 5.249 1.00 25.00 H new ATOM 0 HB3 ARG A 301 12.086 -4.224 4.131 1.00 25.00 H new ATOM 0 HG2 ARG A 301 11.009 -4.655 6.178 1.00 25.00 H new ATOM 0 HG3 ARG A 301 10.962 -6.212 5.375 1.00 25.00 H new ATOM 0 HD2 ARG A 301 12.890 -7.009 6.681 1.00 25.00 H new ATOM 0 HD3 ARG A 301 13.120 -5.421 7.387 1.00 25.00 H new ATOM 0 HE ARG A 301 10.438 -6.325 7.930 1.00 25.00 H new ATOM 0 HH11 ARG A 301 13.781 -6.964 8.953 1.00 25.00 H new ATOM 0 HH12 ARG A 301 13.266 -7.532 10.544 1.00 25.00 H new ATOM 0 HH21 ARG A 301 9.882 -7.034 9.952 1.00 25.00 H new ATOM 0 HH22 ARG A 301 11.121 -7.570 11.092 1.00 25.00 H new ATOM 79 N LYS A 302 11.689 -5.873 1.924 1.00 25.00 N ATOM 80 CA LYS A 302 10.661 -6.382 1.002 1.00 25.00 C ATOM 81 C LYS A 302 11.252 -7.408 0.053 1.00 25.00 C ATOM 82 O LYS A 302 10.605 -8.387 -0.255 1.00 25.00 O ATOM 83 CB LYS A 302 9.945 -5.247 0.240 1.00 25.00 C ATOM 84 CG LYS A 302 10.845 -4.319 -0.584 1.00 25.00 C ATOM 85 CD LYS A 302 10.042 -3.192 -1.258 1.00 25.00 C ATOM 86 CE LYS A 302 9.357 -3.631 -2.564 1.00 25.00 C ATOM 87 NZ LYS A 302 10.352 -3.860 -3.677 1.00 25.00 N ATOM 0 H LYS A 302 12.015 -4.927 1.725 1.00 25.00 H new ATOM 0 HA LYS A 302 9.899 -6.877 1.604 1.00 25.00 H new ATOM 0 HB2 LYS A 302 9.208 -5.693 -0.428 1.00 25.00 H new ATOM 0 HB3 LYS A 302 9.396 -4.642 0.961 1.00 25.00 H new ATOM 0 HG2 LYS A 302 11.608 -3.885 0.062 1.00 25.00 H new ATOM 0 HG3 LYS A 302 11.365 -4.900 -1.346 1.00 25.00 H new ATOM 0 HD2 LYS A 302 9.285 -2.829 -0.563 1.00 25.00 H new ATOM 0 HD3 LYS A 302 10.709 -2.356 -1.469 1.00 25.00 H new ATOM 0 HE2 LYS A 302 8.794 -4.547 -2.387 1.00 25.00 H new ATOM 0 HE3 LYS A 302 8.639 -2.870 -2.870 1.00 25.00 H new ATOM 0 HZ1 LYS A 302 10.090 -3.282 -4.501 1.00 25.00 H new ATOM 0 HZ2 LYS A 302 11.303 -3.590 -3.353 1.00 25.00 H new ATOM 0 HZ3 LYS A 302 10.349 -4.865 -3.944 1.00 25.00 H new ATOM 115 N GLY A 304 13.453 -9.658 0.680 1.00 25.00 N ATOM 116 CA GLY A 304 13.486 -10.940 1.366 1.00 25.00 C ATOM 117 C GLY A 304 12.140 -11.637 1.422 1.00 25.00 C ATOM 118 O GLY A 304 12.086 -12.862 1.457 1.00 25.00 O ATOM 0 HA2 GLY A 304 14.202 -11.592 0.865 1.00 25.00 H new ATOM 0 HA3 GLY A 304 13.849 -10.789 2.382 1.00 25.00 H new ATOM 122 N LYS A 305 11.050 -10.877 1.407 1.00 25.00 N ATOM 123 CA LYS A 305 9.709 -11.475 1.442 1.00 25.00 C ATOM 124 C LYS A 305 9.470 -12.253 0.157 1.00 25.00 C ATOM 125 O LYS A 305 9.102 -13.418 0.202 1.00 25.00 O ATOM 126 CB LYS A 305 8.628 -10.393 1.621 1.00 25.00 C ATOM 127 CG LYS A 305 7.168 -10.889 1.510 1.00 25.00 C ATOM 128 CD LYS A 305 6.752 -11.836 2.640 1.00 25.00 C ATOM 129 CE LYS A 305 5.292 -12.271 2.447 1.00 25.00 C ATOM 130 NZ LYS A 305 4.788 -13.153 3.563 1.00 25.00 N ATOM 0 H LYS A 305 11.061 -9.858 1.371 1.00 25.00 H new ATOM 0 HA LYS A 305 9.648 -12.152 2.294 1.00 25.00 H new ATOM 0 HB2 LYS A 305 8.762 -9.927 2.597 1.00 25.00 H new ATOM 0 HB3 LYS A 305 8.788 -9.617 0.873 1.00 25.00 H new ATOM 0 HG2 LYS A 305 6.500 -10.027 1.506 1.00 25.00 H new ATOM 0 HG3 LYS A 305 7.038 -11.398 0.555 1.00 25.00 H new ATOM 0 HD2 LYS A 305 7.403 -12.710 2.651 1.00 25.00 H new ATOM 0 HD3 LYS A 305 6.868 -11.340 3.603 1.00 25.00 H new ATOM 0 HE2 LYS A 305 4.661 -11.385 2.378 1.00 25.00 H new ATOM 0 HE3 LYS A 305 5.199 -12.803 1.500 1.00 25.00 H new ATOM 0 HZ1 LYS A 305 3.798 -13.415 3.379 1.00 25.00 H new ATOM 0 HZ2 LYS A 305 5.370 -14.013 3.615 1.00 25.00 H new ATOM 0 HZ3 LYS A 305 4.848 -12.639 4.465 1.00 25.00 H new ATOM 144 N TYR A 306 9.703 -11.616 -0.978 1.00 25.00 N ATOM 145 CA TYR A 306 9.491 -12.259 -2.275 1.00 25.00 C ATOM 146 C TYR A 306 10.455 -13.407 -2.479 1.00 25.00 C ATOM 147 O TYR A 306 10.080 -14.451 -2.976 1.00 25.00 O ATOM 148 CB TYR A 306 9.676 -11.254 -3.401 1.00 25.00 C ATOM 149 CG TYR A 306 8.802 -10.040 -3.250 1.00 25.00 C ATOM 150 CD1 TYR A 306 7.408 -10.119 -3.460 1.00 25.00 C ATOM 151 CD2 TYR A 306 9.358 -8.799 -2.892 1.00 25.00 C ATOM 152 CE1 TYR A 306 6.587 -8.964 -3.327 1.00 25.00 C ATOM 153 CE2 TYR A 306 8.544 -7.648 -2.755 1.00 25.00 C ATOM 154 CZ TYR A 306 7.170 -7.739 -2.980 1.00 25.00 C ATOM 155 OH TYR A 306 6.402 -6.611 -2.854 1.00 25.00 O ATOM 0 H TYR A 306 10.039 -10.655 -1.034 1.00 25.00 H new ATOM 0 HA TYR A 306 8.471 -12.644 -2.288 1.00 25.00 H new ATOM 0 HB2 TYR A 306 10.720 -10.942 -3.435 1.00 25.00 H new ATOM 0 HB3 TYR A 306 9.456 -11.738 -4.353 1.00 25.00 H new ATOM 0 HD1 TYR A 306 6.960 -11.066 -3.724 1.00 25.00 H new ATOM 0 HD2 TYR A 306 10.421 -8.722 -2.719 1.00 25.00 H new ATOM 0 HE1 TYR A 306 5.522 -9.032 -3.493 1.00 25.00 H new ATOM 0 HE2 TYR A 306 8.986 -6.702 -2.477 1.00 25.00 H new ATOM 0 HH TYR A 306 6.972 -5.853 -2.607 1.00 25.00 H new ATOM 165 N LYS A 307 11.696 -13.236 -2.045 1.00 25.00 N ATOM 166 CA LYS A 307 12.684 -14.303 -2.177 1.00 25.00 C ATOM 167 C LYS A 307 12.283 -15.533 -1.358 1.00 25.00 C ATOM 168 O LYS A 307 12.681 -16.644 -1.662 1.00 25.00 O ATOM 169 CB LYS A 307 14.066 -13.798 -1.762 1.00 25.00 C ATOM 170 CG LYS A 307 15.200 -14.564 -2.457 1.00 25.00 C ATOM 171 CD LYS A 307 15.930 -13.708 -3.509 1.00 25.00 C ATOM 172 CE LYS A 307 16.172 -14.480 -4.810 1.00 25.00 C ATOM 173 NZ LYS A 307 16.771 -15.845 -4.617 1.00 25.00 N ATOM 0 H LYS A 307 12.041 -12.383 -1.605 1.00 25.00 H new ATOM 0 HA LYS A 307 12.724 -14.604 -3.224 1.00 25.00 H new ATOM 0 HB2 LYS A 307 14.149 -12.737 -1.999 1.00 25.00 H new ATOM 0 HB3 LYS A 307 14.176 -13.893 -0.682 1.00 25.00 H new ATOM 0 HG2 LYS A 307 15.916 -14.904 -1.709 1.00 25.00 H new ATOM 0 HG3 LYS A 307 14.793 -15.454 -2.936 1.00 25.00 H new ATOM 0 HD2 LYS A 307 15.342 -12.815 -3.721 1.00 25.00 H new ATOM 0 HD3 LYS A 307 16.885 -13.372 -3.104 1.00 25.00 H new ATOM 0 HE2 LYS A 307 15.225 -14.583 -5.339 1.00 25.00 H new ATOM 0 HE3 LYS A 307 16.832 -13.894 -5.449 1.00 25.00 H new ATOM 0 HZ1 LYS A 307 17.445 -16.040 -5.384 1.00 25.00 H new ATOM 0 HZ2 LYS A 307 17.266 -15.881 -3.703 1.00 25.00 H new ATOM 0 HZ3 LYS A 307 16.016 -16.560 -4.630 1.00 25.00 H new ATOM 187 N LYS A 308 11.481 -15.344 -0.319 1.00 25.00 N ATOM 188 CA LYS A 308 10.939 -16.485 0.418 1.00 25.00 C ATOM 189 C LYS A 308 9.775 -17.149 -0.312 1.00 25.00 C ATOM 190 O LYS A 308 9.580 -18.354 -0.190 1.00 25.00 O ATOM 191 CB LYS A 308 10.530 -16.088 1.837 1.00 25.00 C ATOM 192 CG LYS A 308 11.015 -17.094 2.880 1.00 25.00 C ATOM 193 CD LYS A 308 12.542 -17.007 3.090 1.00 25.00 C ATOM 194 CE LYS A 308 13.081 -18.230 3.837 1.00 25.00 C ATOM 195 NZ LYS A 308 13.031 -19.474 2.976 1.00 25.00 N ATOM 0 H LYS A 308 11.193 -14.430 0.031 1.00 25.00 H new ATOM 0 HA LYS A 308 11.741 -17.220 0.484 1.00 25.00 H new ATOM 0 HB2 LYS A 308 10.936 -15.103 2.068 1.00 25.00 H new ATOM 0 HB3 LYS A 308 9.444 -16.006 1.891 1.00 25.00 H new ATOM 0 HG2 LYS A 308 10.506 -16.911 3.826 1.00 25.00 H new ATOM 0 HG3 LYS A 308 10.748 -18.103 2.565 1.00 25.00 H new ATOM 0 HD2 LYS A 308 13.038 -16.923 2.123 1.00 25.00 H new ATOM 0 HD3 LYS A 308 12.781 -16.103 3.651 1.00 25.00 H new ATOM 0 HE2 LYS A 308 14.109 -18.043 4.149 1.00 25.00 H new ATOM 0 HE3 LYS A 308 12.497 -18.390 4.743 1.00 25.00 H new ATOM 0 HZ1 LYS A 308 13.596 -20.226 3.419 1.00 25.00 H new ATOM 0 HZ2 LYS A 308 12.045 -19.792 2.882 1.00 25.00 H new ATOM 0 HZ3 LYS A 308 13.417 -19.260 2.034 1.00 25.00 H new ATOM 209 N VAL A 309 9.015 -16.377 -1.075 1.00 25.00 N ATOM 210 CA VAL A 309 7.898 -16.928 -1.849 1.00 25.00 C ATOM 211 C VAL A 309 8.445 -17.709 -3.021 1.00 25.00 C ATOM 212 O VAL A 309 7.930 -18.745 -3.340 1.00 25.00 O ATOM 213 CB VAL A 309 6.934 -15.838 -2.368 1.00 25.00 C ATOM 214 CG1 VAL A 309 5.793 -16.468 -3.167 1.00 25.00 C ATOM 215 CG2 VAL A 309 6.358 -15.080 -1.206 1.00 25.00 C ATOM 0 H VAL A 309 9.146 -15.371 -1.179 1.00 25.00 H new ATOM 0 HA VAL A 309 7.327 -17.573 -1.182 1.00 25.00 H new ATOM 0 HB VAL A 309 7.492 -15.162 -3.015 1.00 25.00 H new ATOM 0 HG11 VAL A 309 5.124 -15.685 -3.525 1.00 25.00 H new ATOM 0 HG12 VAL A 309 6.202 -17.013 -4.018 1.00 25.00 H new ATOM 0 HG13 VAL A 309 5.238 -17.156 -2.529 1.00 25.00 H new ATOM 0 HG21 VAL A 309 5.678 -14.311 -1.574 1.00 25.00 H new ATOM 0 HG22 VAL A 309 5.813 -15.766 -0.558 1.00 25.00 H new ATOM 0 HG23 VAL A 309 7.164 -14.611 -0.642 1.00 25.00 H new ATOM 225 N GLU A 310 9.568 -17.269 -3.562 1.00 25.00 N ATOM 226 CA GLU A 310 10.273 -18.000 -4.619 1.00 25.00 C ATOM 227 C GLU A 310 10.528 -19.457 -4.190 1.00 25.00 C ATOM 228 O GLU A 310 10.477 -20.381 -4.994 1.00 25.00 O ATOM 229 CB GLU A 310 11.594 -17.264 -4.875 1.00 25.00 C ATOM 230 CG GLU A 310 12.521 -17.864 -5.906 1.00 25.00 C ATOM 231 CD GLU A 310 13.804 -17.059 -6.000 1.00 25.00 C ATOM 232 OE1 GLU A 310 13.766 -15.899 -6.464 1.00 25.00 O ATOM 233 OE2 GLU A 310 14.844 -17.536 -5.485 1.00 25.00 O ATOM 0 H GLU A 310 10.022 -16.398 -3.287 1.00 25.00 H new ATOM 0 HA GLU A 310 9.676 -18.036 -5.530 1.00 25.00 H new ATOM 0 HB2 GLU A 310 11.361 -16.244 -5.181 1.00 25.00 H new ATOM 0 HB3 GLU A 310 12.134 -17.198 -3.931 1.00 25.00 H new ATOM 0 HG2 GLU A 310 12.751 -18.896 -5.640 1.00 25.00 H new ATOM 0 HG3 GLU A 310 12.027 -17.887 -6.878 1.00 25.00 H new ATOM 240 N ILE A 311 10.742 -19.659 -2.896 1.00 25.00 N ATOM 241 CA ILE A 311 10.934 -21.004 -2.358 1.00 25.00 C ATOM 242 C ILE A 311 9.587 -21.704 -2.131 1.00 25.00 C ATOM 243 O ILE A 311 9.465 -22.898 -2.379 1.00 25.00 O ATOM 244 CB ILE A 311 11.749 -20.964 -1.027 1.00 25.00 C ATOM 245 CG1 ILE A 311 13.089 -20.220 -1.236 1.00 25.00 C ATOM 246 CG2 ILE A 311 12.002 -22.396 -0.483 1.00 25.00 C ATOM 247 CD1 ILE A 311 14.044 -20.825 -2.308 1.00 25.00 C ATOM 0 H ILE A 311 10.787 -18.914 -2.201 1.00 25.00 H new ATOM 0 HA ILE A 311 11.501 -21.574 -3.094 1.00 25.00 H new ATOM 0 HB ILE A 311 11.160 -20.422 -0.287 1.00 25.00 H new ATOM 0 HG12 ILE A 311 12.870 -19.189 -1.513 1.00 25.00 H new ATOM 0 HG13 ILE A 311 13.617 -20.189 -0.283 1.00 25.00 H new ATOM 0 HG21 ILE A 311 12.572 -22.338 0.444 1.00 25.00 H new ATOM 0 HG22 ILE A 311 11.048 -22.887 -0.292 1.00 25.00 H new ATOM 0 HG23 ILE A 311 12.565 -22.971 -1.219 1.00 25.00 H new ATOM 0 HD11 ILE A 311 14.951 -20.223 -2.369 1.00 25.00 H new ATOM 0 HD12 ILE A 311 14.305 -21.846 -2.029 1.00 25.00 H new ATOM 0 HD13 ILE A 311 13.546 -20.830 -3.278 1.00 25.00 H new ATOM 259 N LYS A 312 8.576 -20.984 -1.650 1.00 25.00 N ATOM 260 CA LYS A 312 7.271 -21.581 -1.397 1.00 25.00 C ATOM 261 C LYS A 312 6.481 -21.917 -2.638 1.00 25.00 C ATOM 262 O LYS A 312 5.914 -22.983 -2.709 1.00 25.00 O ATOM 263 CB LYS A 312 6.436 -20.622 -0.599 1.00 25.00 C ATOM 264 CG LYS A 312 6.573 -20.817 0.873 1.00 25.00 C ATOM 265 CD LYS A 312 5.395 -20.196 1.530 1.00 25.00 C ATOM 266 CE LYS A 312 4.266 -21.242 1.817 1.00 25.00 C ATOM 267 NZ LYS A 312 3.634 -21.893 0.583 1.00 25.00 N ATOM 0 H LYS A 312 8.637 -19.990 -1.429 1.00 25.00 H new ATOM 0 HA LYS A 312 7.479 -22.514 -0.872 1.00 25.00 H new ATOM 0 HB2 LYS A 312 6.722 -19.601 -0.853 1.00 25.00 H new ATOM 0 HB3 LYS A 312 5.389 -20.739 -0.880 1.00 25.00 H new ATOM 0 HG2 LYS A 312 6.628 -21.879 1.113 1.00 25.00 H new ATOM 0 HG3 LYS A 312 7.495 -20.361 1.234 1.00 25.00 H new ATOM 0 HD2 LYS A 312 5.705 -19.731 2.466 1.00 25.00 H new ATOM 0 HD3 LYS A 312 5.002 -19.403 0.895 1.00 25.00 H new ATOM 0 HE2 LYS A 312 4.677 -22.029 2.449 1.00 25.00 H new ATOM 0 HE3 LYS A 312 3.479 -20.752 2.390 1.00 25.00 H new ATOM 0 HZ1 LYS A 312 2.679 -22.231 0.819 1.00 25.00 H new ATOM 0 HZ2 LYS A 312 3.574 -21.195 -0.185 1.00 25.00 H new ATOM 0 HZ3 LYS A 312 4.219 -22.696 0.276 1.00 25.00 H new ATOM 281 N GLU A 313 6.444 -21.004 -3.593 1.00 25.00 N ATOM 282 CA GLU A 313 5.722 -21.230 -4.844 1.00 25.00 C ATOM 283 C GLU A 313 6.223 -22.512 -5.508 1.00 25.00 C ATOM 284 O GLU A 313 5.447 -23.342 -5.962 1.00 25.00 O ATOM 285 CB GLU A 313 5.936 -20.048 -5.787 1.00 25.00 C ATOM 286 CG GLU A 313 4.876 -18.964 -5.639 1.00 25.00 C ATOM 287 CD GLU A 313 5.273 -17.642 -6.302 1.00 25.00 C ATOM 288 OE1 GLU A 313 6.463 -17.464 -6.650 1.00 25.00 O ATOM 289 OE2 GLU A 313 4.414 -16.733 -6.354 1.00 25.00 O ATOM 0 H GLU A 313 6.905 -20.096 -3.531 1.00 25.00 H new ATOM 0 HA GLU A 313 4.658 -21.329 -4.627 1.00 25.00 H new ATOM 0 HB2 GLU A 313 6.918 -19.615 -5.599 1.00 25.00 H new ATOM 0 HB3 GLU A 313 5.938 -20.408 -6.816 1.00 25.00 H new ATOM 0 HG2 GLU A 313 3.941 -19.316 -6.075 1.00 25.00 H new ATOM 0 HG3 GLU A 313 4.688 -18.790 -4.580 1.00 25.00 H new ATOM 296 N LEU A 314 7.537 -22.691 -5.504 1.00 25.00 N ATOM 297 CA LEU A 314 8.150 -23.909 -6.032 1.00 25.00 C ATOM 298 C LEU A 314 7.881 -25.094 -5.102 1.00 25.00 C ATOM 299 O LEU A 314 7.776 -26.232 -5.537 1.00 25.00 O ATOM 300 CB LEU A 314 9.662 -23.690 -6.162 1.00 25.00 C ATOM 301 CG LEU A 314 10.501 -24.866 -6.693 1.00 25.00 C ATOM 302 CD1 LEU A 314 10.078 -25.287 -8.102 1.00 25.00 C ATOM 303 CD2 LEU A 314 11.975 -24.462 -6.693 1.00 25.00 C ATOM 0 H LEU A 314 8.203 -22.009 -5.141 1.00 25.00 H new ATOM 0 HA LEU A 314 7.718 -24.131 -7.008 1.00 25.00 H new ATOM 0 HB2 LEU A 314 9.824 -22.836 -6.819 1.00 25.00 H new ATOM 0 HB3 LEU A 314 10.049 -23.415 -5.181 1.00 25.00 H new ATOM 0 HG LEU A 314 10.339 -25.722 -6.038 1.00 25.00 H new ATOM 0 HD11 LEU A 314 10.698 -26.120 -8.434 1.00 25.00 H new ATOM 0 HD12 LEU A 314 9.032 -25.595 -8.091 1.00 25.00 H new ATOM 0 HD13 LEU A 314 10.202 -24.447 -8.785 1.00 25.00 H new ATOM 0 HD21 LEU A 314 12.579 -25.289 -7.068 1.00 25.00 H new ATOM 0 HD22 LEU A 314 12.114 -23.592 -7.334 1.00 25.00 H new ATOM 0 HD23 LEU A 314 12.285 -24.217 -5.677 1.00 25.00 H new ATOM 315 N GLY A 315 7.787 -24.806 -3.815 1.00 25.00 N ATOM 316 CA GLY A 315 7.595 -25.832 -2.801 1.00 25.00 C ATOM 317 C GLY A 315 6.257 -26.533 -2.892 1.00 25.00 C ATOM 318 O GLY A 315 6.146 -27.692 -2.515 1.00 25.00 O ATOM 0 H GLY A 315 7.841 -23.858 -3.443 1.00 25.00 H new ATOM 0 HA2 GLY A 315 8.390 -26.572 -2.890 1.00 25.00 H new ATOM 0 HA3 GLY A 315 7.691 -25.378 -1.815 1.00 25.00 H new ATOM 322 N GLU A 316 5.256 -25.842 -3.416 1.00 25.00 N ATOM 323 CA GLU A 316 3.920 -26.417 -3.581 1.00 25.00 C ATOM 324 C GLU A 316 3.962 -27.603 -4.553 1.00 25.00 C ATOM 325 O GLU A 316 3.276 -28.598 -4.368 1.00 25.00 O ATOM 326 CB GLU A 316 2.978 -25.339 -4.133 1.00 25.00 C ATOM 327 CG GLU A 316 2.086 -24.662 -3.088 1.00 25.00 C ATOM 328 CD GLU A 316 2.838 -23.714 -2.134 1.00 25.00 C ATOM 329 OE1 GLU A 316 2.950 -22.499 -2.433 1.00 25.00 O ATOM 330 OE2 GLU A 316 3.198 -24.153 -1.014 1.00 25.00 O ATOM 0 H GLU A 316 5.340 -24.877 -3.737 1.00 25.00 H new ATOM 0 HA GLU A 316 3.562 -26.771 -2.614 1.00 25.00 H new ATOM 0 HB2 GLU A 316 3.576 -24.574 -4.628 1.00 25.00 H new ATOM 0 HB3 GLU A 316 2.342 -25.789 -4.895 1.00 25.00 H new ATOM 0 HG2 GLU A 316 1.307 -24.099 -3.602 1.00 25.00 H new ATOM 0 HG3 GLU A 316 1.587 -25.432 -2.499 1.00 25.00 H new ATOM 337 N LEU A 317 4.771 -27.461 -5.594 1.00 25.00 N ATOM 338 CA LEU A 317 4.960 -28.483 -6.629 1.00 25.00 C ATOM 339 C LEU A 317 5.940 -29.579 -6.185 1.00 25.00 C ATOM 340 O LEU A 317 6.074 -30.624 -6.816 1.00 25.00 O ATOM 341 CB LEU A 317 5.509 -27.819 -7.906 1.00 25.00 C ATOM 342 CG LEU A 317 4.556 -26.973 -8.783 1.00 25.00 C ATOM 343 CD1 LEU A 317 3.945 -25.742 -8.080 1.00 25.00 C ATOM 344 CD2 LEU A 317 5.333 -26.504 -10.014 1.00 25.00 C ATOM 0 H LEU A 317 5.326 -26.620 -5.751 1.00 25.00 H new ATOM 0 HA LEU A 317 3.991 -28.947 -6.815 1.00 25.00 H new ATOM 0 HB2 LEU A 317 6.340 -27.178 -7.612 1.00 25.00 H new ATOM 0 HB3 LEU A 317 5.921 -28.608 -8.535 1.00 25.00 H new ATOM 0 HG LEU A 317 3.714 -27.617 -9.034 1.00 25.00 H new ATOM 0 HD11 LEU A 317 3.292 -25.213 -8.774 1.00 25.00 H new ATOM 0 HD12 LEU A 317 3.367 -26.067 -7.215 1.00 25.00 H new ATOM 0 HD13 LEU A 317 4.744 -25.076 -7.754 1.00 25.00 H new ATOM 0 HD21 LEU A 317 4.681 -25.904 -10.649 1.00 25.00 H new ATOM 0 HD22 LEU A 317 6.186 -25.903 -9.699 1.00 25.00 H new ATOM 0 HD23 LEU A 317 5.687 -27.370 -10.573 1.00 25.00 H new ATOM 356 N ARG A 318 6.753 -29.237 -5.198 1.00 25.00 N ATOM 357 CA ARG A 318 7.944 -30.016 -4.839 1.00 25.00 C ATOM 358 C ARG A 318 7.719 -31.321 -4.093 1.00 25.00 C ATOM 359 O ARG A 318 8.648 -32.105 -3.941 1.00 25.00 O ATOM 360 CB ARG A 318 8.898 -29.134 -4.048 1.00 25.00 C ATOM 361 CG ARG A 318 10.351 -29.438 -4.309 1.00 25.00 C ATOM 362 CD ARG A 318 11.208 -28.281 -3.875 1.00 25.00 C ATOM 363 NE ARG A 318 12.604 -28.488 -4.282 1.00 25.00 N ATOM 364 CZ ARG A 318 13.562 -27.573 -4.219 1.00 25.00 C ATOM 365 NH1 ARG A 318 13.343 -26.362 -3.762 1.00 25.00 N ATOM 366 NH2 ARG A 318 14.761 -27.884 -4.624 1.00 25.00 N ATOM 0 H ARG A 318 6.612 -28.410 -4.617 1.00 25.00 H new ATOM 0 HA ARG A 318 8.359 -30.331 -5.796 1.00 25.00 H new ATOM 0 HB2 ARG A 318 8.703 -28.090 -4.293 1.00 25.00 H new ATOM 0 HB3 ARG A 318 8.695 -29.255 -2.984 1.00 25.00 H new ATOM 0 HG2 ARG A 318 10.644 -30.339 -3.771 1.00 25.00 H new ATOM 0 HG3 ARG A 318 10.504 -29.636 -5.370 1.00 25.00 H new ATOM 0 HD2 ARG A 318 10.829 -27.357 -4.313 1.00 25.00 H new ATOM 0 HD3 ARG A 318 11.153 -28.167 -2.792 1.00 25.00 H new ATOM 0 HE ARG A 318 12.857 -29.408 -4.642 1.00 25.00 H new ATOM 0 HH11 ARG A 318 12.411 -26.099 -3.441 1.00 25.00 H new ATOM 0 HH12 ARG A 318 14.104 -25.684 -3.728 1.00 25.00 H new ATOM 0 HH21 ARG A 318 14.951 -28.820 -4.983 1.00 25.00 H new ATOM 0 HH22 ARG A 318 15.509 -27.192 -4.582 1.00 25.00 H new ATOM 380 N LYS A 319 6.540 -31.511 -3.520 1.00 25.00 N ATOM 381 CA LYS A 319 6.277 -32.714 -2.719 1.00 25.00 C ATOM 382 C LYS A 319 6.290 -33.971 -3.617 1.00 25.00 C ATOM 383 O LYS A 319 6.480 -35.078 -3.119 1.00 25.00 O ATOM 384 CB LYS A 319 4.951 -32.553 -1.962 1.00 25.00 C ATOM 385 CG LYS A 319 4.747 -33.558 -0.821 1.00 25.00 C ATOM 386 CD LYS A 319 3.386 -34.270 -0.890 1.00 25.00 C ATOM 387 CE LYS A 319 3.363 -35.373 -1.957 1.00 25.00 C ATOM 388 NZ LYS A 319 3.015 -34.859 -3.320 1.00 25.00 N ATOM 0 H LYS A 319 5.756 -30.863 -3.588 1.00 25.00 H new ATOM 0 HA LYS A 319 7.067 -32.843 -1.979 1.00 25.00 H new ATOM 0 HB2 LYS A 319 4.900 -31.543 -1.554 1.00 25.00 H new ATOM 0 HB3 LYS A 319 4.128 -32.653 -2.670 1.00 25.00 H new ATOM 0 HG2 LYS A 319 5.543 -34.302 -0.852 1.00 25.00 H new ATOM 0 HG3 LYS A 319 4.832 -33.039 0.134 1.00 25.00 H new ATOM 0 HD2 LYS A 319 3.155 -34.703 0.083 1.00 25.00 H new ATOM 0 HD3 LYS A 319 2.606 -33.540 -1.107 1.00 25.00 H new ATOM 0 HE2 LYS A 319 4.340 -35.855 -1.995 1.00 25.00 H new ATOM 0 HE3 LYS A 319 2.641 -36.137 -1.667 1.00 25.00 H new ATOM 0 HZ1 LYS A 319 2.202 -35.389 -3.694 1.00 25.00 H new ATOM 0 HZ2 LYS A 319 2.772 -33.850 -3.259 1.00 25.00 H new ATOM 0 HZ3 LYS A 319 3.829 -34.981 -3.955 1.00 25.00 H new ATOM 402 N GLU A 320 6.165 -33.752 -4.925 1.00 25.00 N ATOM 403 CA GLU A 320 6.327 -34.770 -5.989 1.00 25.00 C ATOM 404 C GLU A 320 5.313 -35.947 -6.015 1.00 25.00 C ATOM 405 O GLU A 320 4.707 -36.302 -5.000 1.00 25.00 O ATOM 406 CB GLU A 320 7.770 -35.326 -5.972 1.00 25.00 C ATOM 407 CG GLU A 320 8.763 -34.470 -6.754 1.00 25.00 C ATOM 408 CD GLU A 320 10.126 -35.144 -6.893 1.00 25.00 C ATOM 409 OE1 GLU A 320 10.180 -36.267 -7.449 1.00 25.00 O ATOM 410 OE2 GLU A 320 11.145 -34.547 -6.472 1.00 25.00 O ATOM 0 H GLU A 320 5.940 -32.830 -5.298 1.00 25.00 H new ATOM 0 HA GLU A 320 6.107 -34.218 -6.903 1.00 25.00 H new ATOM 0 HB2 GLU A 320 8.107 -35.407 -4.939 1.00 25.00 H new ATOM 0 HB3 GLU A 320 7.767 -36.334 -6.386 1.00 25.00 H new ATOM 0 HG2 GLU A 320 8.359 -34.264 -7.745 1.00 25.00 H new ATOM 0 HG3 GLU A 320 8.885 -33.510 -6.253 1.00 25.00 H new ATOM 417 N PRO A 321 5.127 -36.595 -7.190 1.00 25.00 N ATOM 418 CA PRO A 321 5.738 -36.363 -8.512 1.00 25.00 C ATOM 419 C PRO A 321 5.183 -35.172 -9.309 1.00 25.00 C ATOM 420 O PRO A 321 5.942 -34.426 -9.905 1.00 25.00 O ATOM 421 CB PRO A 321 5.471 -37.681 -9.240 1.00 25.00 C ATOM 422 CG PRO A 321 4.188 -38.170 -8.668 1.00 25.00 C ATOM 423 CD PRO A 321 4.216 -37.756 -7.213 1.00 25.00 C ATOM 0 HA PRO A 321 6.788 -36.093 -8.403 1.00 25.00 H new ATOM 0 HB2 PRO A 321 5.394 -37.531 -10.317 1.00 25.00 H new ATOM 0 HB3 PRO A 321 6.277 -38.396 -9.075 1.00 25.00 H new ATOM 0 HG2 PRO A 321 3.334 -37.732 -9.185 1.00 25.00 H new ATOM 0 HG3 PRO A 321 4.100 -39.252 -8.767 1.00 25.00 H new ATOM 0 HD2 PRO A 321 3.222 -37.490 -6.854 1.00 25.00 H new ATOM 0 HD3 PRO A 321 4.580 -38.562 -6.576 1.00 25.00 H new ATOM 431 N SER A 322 3.865 -35.030 -9.376 1.00 25.00 N ATOM 432 CA SER A 322 3.248 -33.938 -10.137 1.00 25.00 C ATOM 433 C SER A 322 3.205 -32.639 -9.345 1.00 25.00 C ATOM 434 O SER A 322 3.349 -31.552 -9.895 1.00 25.00 O ATOM 435 CB SER A 322 1.828 -34.326 -10.536 1.00 25.00 C ATOM 436 OG SER A 322 1.838 -35.570 -11.219 1.00 25.00 O ATOM 0 H SER A 322 3.200 -35.652 -8.916 1.00 25.00 H new ATOM 0 HA SER A 322 3.862 -33.773 -11.023 1.00 25.00 H new ATOM 0 HB2 SER A 322 1.198 -34.394 -9.649 1.00 25.00 H new ATOM 0 HB3 SER A 322 1.397 -33.555 -11.175 1.00 25.00 H new ATOM 0 HG SER A 322 0.922 -35.813 -11.470 1.00 25.00 H new ATOM 442 N LEU A 323 2.945 -32.792 -8.053 1.00 25.00 N ATOM 443 CA LEU A 323 2.848 -31.706 -7.087 1.00 25.00 C ATOM 444 C LEU A 323 3.304 -32.406 -5.837 1.00 25.00 C ATOM 445 O LEU A 323 3.042 -33.634 -5.812 1.00 25.00 O ATOM 446 CB LEU A 323 1.398 -31.229 -6.892 1.00 25.00 C ATOM 447 CG LEU A 323 0.710 -30.481 -8.041 1.00 25.00 C ATOM 448 CD1 LEU A 323 -0.751 -30.238 -7.674 1.00 25.00 C ATOM 449 CD2 LEU A 323 1.398 -29.157 -8.321 1.00 25.00 C ATOM 450 OXT LEU A 323 3.876 -31.801 -4.923 1.00 25.00 O ATOM 0 H LEU A 323 2.790 -33.709 -7.634 1.00 25.00 H new ATOM 0 HA LEU A 323 3.411 -30.819 -7.377 1.00 25.00 H new ATOM 0 HB2 LEU A 323 0.791 -32.103 -6.656 1.00 25.00 H new ATOM 0 HB3 LEU A 323 1.378 -30.581 -6.016 1.00 25.00 H new ATOM 0 HG LEU A 323 0.772 -31.090 -8.943 1.00 25.00 H new ATOM 0 HD11 LEU A 323 -1.247 -29.706 -8.486 1.00 25.00 H new ATOM 0 HD12 LEU A 323 -1.248 -31.194 -7.509 1.00 25.00 H new ATOM 0 HD13 LEU A 323 -0.803 -29.640 -6.764 1.00 25.00 H new ATOM 0 HD21 LEU A 323 0.889 -28.649 -9.140 1.00 25.00 H new ATOM 0 HD22 LEU A 323 1.362 -28.533 -7.428 1.00 25.00 H new ATOM 0 HD23 LEU A 323 2.437 -29.338 -8.596 1.00 25.00 H new