USER MOD reduce.3.24.130724 H: found=0, std=0, add=311, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 316 hydrogens (8 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 NoAdj-H: B 210 SEP H2 : B 210 SEP N : B 209 SER C :(H bumps) USER MOD NoAdj-H: B 210 SEP H : B 210 SEP N : B 209 SER C :(H bumps) USER MOD NoAdj-H: B 214 SEP H2 : B 214 SEP N : B 213 GLY C :(H bumps) USER MOD Set 1.1: A 261 THR OG1 : rot 100:sc= -0.809 USER MOD Set 1.2: A 263 HIS : no HE2:sc= -0.925 K(o=-1.7,f=-0.64!) USER MOD Set 2.1: A 254 HIS : no HD1:sc= -3.79! C(o=-3.9!,f=-2!) USER MOD Set 2.2: A 256 GLN : amide:sc= -0.103 K(o=-3.9,f=-3!) USER MOD Set 3.1: A 242 GLN : amide:sc= -0.165 K(o=0.24,f=-2.6) USER MOD Set 3.2: A 244 THR OG1 : rot 180:sc= 0.401 USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot -155:sc= 1.6 USER MOD Single : A 247 GLN : amide:sc= -0.186 K(o=-0.19,f=-4.5!) USER MOD Single : A 249 GLN : amide:sc= -3.99 K(o=-4,f=-1.7) USER MOD Single : A 251 TYR OH : rot 0:sc= 0.231 USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 257 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 SER OG : rot 45:sc= 0.0541 USER MOD Single : B 208 THR OG1 : rot 36:sc= 0.277 USER MOD Single : B 209 SER OG : rot 47:sc= 0.181 USER MOD Single : B 217 GLN : amide:sc= 0.678 K(o=0.68,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 235 9.691 7.571 2.668 1.00 15.00 N ATOM 2 CA GLU A 235 10.584 6.645 1.940 1.00 15.00 C ATOM 3 C GLU A 235 10.394 5.220 2.446 1.00 15.00 C ATOM 4 O GLU A 235 10.268 4.991 3.650 1.00 15.00 O ATOM 5 CB GLU A 235 12.045 7.072 2.115 1.00 15.00 C ATOM 6 CG GLU A 235 13.021 6.244 1.295 1.00 15.00 C ATOM 7 CD GLU A 235 12.711 6.287 -0.187 1.00 15.00 C ATOM 8 OE1 GLU A 235 13.448 6.962 -0.936 1.00 15.00 O ATOM 9 OE2 GLU A 235 11.727 5.646 -0.612 1.00 15.00 O1- ATOM 0 HA GLU A 235 10.330 6.679 0.880 1.00 15.00 H new ATOM 0 HB2 GLU A 235 12.145 8.120 1.834 1.00 15.00 H new ATOM 0 HB3 GLU A 235 12.313 6.997 3.169 1.00 15.00 H new ATOM 0 HG2 GLU A 235 14.034 6.610 1.462 1.00 15.00 H new ATOM 0 HG3 GLU A 235 12.995 5.210 1.639 1.00 15.00 H new ATOM 16 N LEU A 236 10.397 4.266 1.522 1.00 15.00 N ATOM 17 CA LEU A 236 10.190 2.862 1.858 1.00 15.00 C ATOM 18 C LEU A 236 11.377 2.040 1.372 1.00 15.00 C ATOM 19 O LEU A 236 12.253 2.558 0.676 1.00 15.00 O ATOM 20 CB LEU A 236 8.909 2.302 1.197 1.00 15.00 C ATOM 21 CG LEU A 236 7.604 3.078 1.424 1.00 15.00 C ATOM 22 CD1 LEU A 236 7.442 3.448 2.885 1.00 15.00 C ATOM 23 CD2 LEU A 236 7.531 4.312 0.536 1.00 15.00 C ATOM 0 H LEU A 236 10.542 4.441 0.528 1.00 15.00 H new ATOM 0 HA LEU A 236 10.087 2.794 2.941 1.00 15.00 H new ATOM 0 HB2 LEU A 236 9.083 2.241 0.123 1.00 15.00 H new ATOM 0 HB3 LEU A 236 8.762 1.283 1.555 1.00 15.00 H new ATOM 0 HG LEU A 236 6.777 2.424 1.147 1.00 15.00 H new ATOM 0 HD11 LEU A 236 6.510 3.997 3.020 1.00 15.00 H new ATOM 0 HD12 LEU A 236 7.420 2.541 3.490 1.00 15.00 H new ATOM 0 HD13 LEU A 236 8.279 4.072 3.197 1.00 15.00 H new ATOM 0 HD21 LEU A 236 6.595 4.839 0.721 1.00 15.00 H new ATOM 0 HD22 LEU A 236 8.369 4.972 0.760 1.00 15.00 H new ATOM 0 HD23 LEU A 236 7.577 4.010 -0.510 1.00 15.00 H new ATOM 35 N PRO A 237 11.424 0.747 1.730 1.00 15.00 N ATOM 36 CA PRO A 237 12.334 -0.201 1.090 1.00 15.00 C ATOM 37 C PRO A 237 11.904 -0.466 -0.344 1.00 15.00 C ATOM 38 O PRO A 237 10.744 -0.264 -0.711 1.00 15.00 O ATOM 39 CB PRO A 237 12.196 -1.480 1.929 1.00 15.00 C ATOM 40 CG PRO A 237 11.499 -1.071 3.182 1.00 15.00 C ATOM 41 CD PRO A 237 10.671 0.133 2.832 1.00 15.00 C ATOM 0 HA PRO A 237 13.359 0.168 1.048 1.00 15.00 H new ATOM 0 HB2 PRO A 237 11.625 -2.239 1.394 1.00 15.00 H new ATOM 0 HB3 PRO A 237 13.173 -1.911 2.148 1.00 15.00 H new ATOM 0 HG2 PRO A 237 10.871 -1.878 3.558 1.00 15.00 H new ATOM 0 HG3 PRO A 237 12.217 -0.834 3.967 1.00 15.00 H new ATOM 0 HD2 PRO A 237 9.663 -0.146 2.525 1.00 15.00 H new ATOM 0 HD3 PRO A 237 10.570 0.812 3.678 1.00 15.00 H new ATOM 49 N GLU A 238 12.837 -0.944 -1.136 1.00 15.00 N ATOM 50 CA GLU A 238 12.621 -1.112 -2.566 1.00 15.00 C ATOM 51 C GLU A 238 11.627 -2.235 -2.846 1.00 15.00 C ATOM 52 O GLU A 238 11.890 -3.407 -2.560 1.00 15.00 O ATOM 53 CB GLU A 238 13.951 -1.403 -3.261 1.00 15.00 C ATOM 54 CG GLU A 238 13.845 -1.534 -4.771 1.00 15.00 C ATOM 55 CD GLU A 238 15.176 -1.864 -5.406 1.00 15.00 C ATOM 56 OE1 GLU A 238 15.966 -0.930 -5.655 1.00 15.00 O ATOM 57 OE2 GLU A 238 15.450 -3.058 -5.637 1.00 15.00 O1- ATOM 0 H GLU A 238 13.763 -1.227 -0.816 1.00 15.00 H new ATOM 0 HA GLU A 238 12.202 -0.186 -2.959 1.00 15.00 H new ATOM 0 HB2 GLU A 238 14.655 -0.605 -3.025 1.00 15.00 H new ATOM 0 HB3 GLU A 238 14.367 -2.325 -2.855 1.00 15.00 H new ATOM 0 HG2 GLU A 238 13.123 -2.312 -5.017 1.00 15.00 H new ATOM 0 HG3 GLU A 238 13.465 -0.602 -5.190 1.00 15.00 H new ATOM 64 N GLY A 239 10.476 -1.857 -3.389 1.00 15.00 N ATOM 65 CA GLY A 239 9.458 -2.825 -3.738 1.00 15.00 C ATOM 66 C GLY A 239 8.051 -2.308 -3.500 1.00 15.00 C ATOM 67 O GLY A 239 7.082 -2.873 -4.009 1.00 15.00 O ATOM 0 H GLY A 239 10.230 -0.889 -3.595 1.00 15.00 H new ATOM 0 HA2 GLY A 239 9.567 -3.099 -4.787 1.00 15.00 H new ATOM 0 HA3 GLY A 239 9.611 -3.733 -3.154 1.00 15.00 H new ATOM 71 N TYR A 240 7.929 -1.239 -2.722 1.00 15.00 N ATOM 72 CA TYR A 240 6.618 -0.683 -2.392 1.00 15.00 C ATOM 73 C TYR A 240 6.294 0.500 -3.289 1.00 15.00 C ATOM 74 O TYR A 240 7.156 1.340 -3.559 1.00 15.00 O ATOM 75 CB TYR A 240 6.569 -0.213 -0.930 1.00 15.00 C ATOM 76 CG TYR A 240 6.967 -1.270 0.069 1.00 15.00 C ATOM 77 CD1 TYR A 240 8.265 -1.343 0.552 1.00 15.00 C ATOM 78 CD2 TYR A 240 6.049 -2.206 0.517 1.00 15.00 C ATOM 79 CE1 TYR A 240 8.639 -2.320 1.445 1.00 15.00 C ATOM 80 CE2 TYR A 240 6.414 -3.187 1.416 1.00 15.00 C ATOM 81 CZ TYR A 240 7.712 -3.243 1.874 1.00 15.00 C ATOM 82 OH TYR A 240 8.080 -4.222 2.761 1.00 15.00 O ATOM 0 H TYR A 240 8.717 -0.740 -2.308 1.00 15.00 H new ATOM 0 HA TYR A 240 5.885 -1.475 -2.544 1.00 15.00 H new ATOM 0 HB2 TYR A 240 7.227 0.648 -0.814 1.00 15.00 H new ATOM 0 HB3 TYR A 240 5.558 0.125 -0.702 1.00 15.00 H new ATOM 0 HD1 TYR A 240 8.995 -0.620 0.221 1.00 15.00 H new ATOM 0 HD2 TYR A 240 5.032 -2.167 0.157 1.00 15.00 H new ATOM 0 HE1 TYR A 240 9.655 -2.363 1.808 1.00 15.00 H new ATOM 0 HE2 TYR A 240 5.686 -3.907 1.759 1.00 15.00 H new ATOM 0 HH TYR A 240 7.307 -4.790 2.961 1.00 15.00 H new ATOM 92 N GLU A 241 5.054 0.569 -3.733 1.00 15.00 N ATOM 93 CA GLU A 241 4.574 1.731 -4.453 1.00 15.00 C ATOM 94 C GLU A 241 3.592 2.500 -3.582 1.00 15.00 C ATOM 95 O GLU A 241 2.818 1.907 -2.824 1.00 15.00 O ATOM 96 CB GLU A 241 3.910 1.330 -5.775 1.00 15.00 C ATOM 97 CG GLU A 241 2.701 0.420 -5.622 1.00 15.00 C ATOM 98 CD GLU A 241 1.959 0.241 -6.929 1.00 15.00 C ATOM 99 OE1 GLU A 241 0.875 0.840 -7.093 1.00 15.00 O ATOM 100 OE2 GLU A 241 2.476 -0.463 -7.821 1.00 15.00 O1- ATOM 0 H GLU A 241 4.360 -0.168 -3.607 1.00 15.00 H new ATOM 0 HA GLU A 241 5.427 2.368 -4.689 1.00 15.00 H new ATOM 0 HB2 GLU A 241 3.605 2.234 -6.302 1.00 15.00 H new ATOM 0 HB3 GLU A 241 4.649 0.830 -6.401 1.00 15.00 H new ATOM 0 HG2 GLU A 241 3.024 -0.553 -5.252 1.00 15.00 H new ATOM 0 HG3 GLU A 241 2.025 0.837 -4.875 1.00 15.00 H new ATOM 107 N GLN A 242 3.620 3.813 -3.695 1.00 15.00 N ATOM 108 CA GLN A 242 2.704 4.656 -2.950 1.00 15.00 C ATOM 109 C GLN A 242 1.444 4.865 -3.780 1.00 15.00 C ATOM 110 O GLN A 242 1.507 5.397 -4.892 1.00 15.00 O ATOM 111 CB GLN A 242 3.377 6.001 -2.626 1.00 15.00 C ATOM 112 CG GLN A 242 2.668 6.834 -1.560 1.00 15.00 C ATOM 113 CD GLN A 242 1.361 7.445 -2.031 1.00 15.00 C ATOM 114 OE1 GLN A 242 1.193 7.762 -3.207 1.00 15.00 O ATOM 115 NE2 GLN A 242 0.432 7.629 -1.113 1.00 15.00 N ATOM 0 H GLN A 242 4.268 4.321 -4.297 1.00 15.00 H new ATOM 0 HA GLN A 242 2.436 4.178 -2.008 1.00 15.00 H new ATOM 0 HB2 GLN A 242 4.398 5.810 -2.297 1.00 15.00 H new ATOM 0 HB3 GLN A 242 3.442 6.588 -3.542 1.00 15.00 H new ATOM 0 HG2 GLN A 242 2.472 6.205 -0.691 1.00 15.00 H new ATOM 0 HG3 GLN A 242 3.334 7.632 -1.233 1.00 15.00 H new ATOM 0 HE21 GLN A 242 0.608 7.353 -0.147 1.00 15.00 H new ATOM 0 HE22 GLN A 242 -0.462 8.047 -1.369 1.00 15.00 H new ATOM 124 N ARG A 243 0.308 4.424 -3.262 1.00 15.00 N ATOM 125 CA ARG A 243 -0.942 4.563 -3.984 1.00 15.00 C ATOM 126 C ARG A 243 -1.995 5.272 -3.146 1.00 15.00 C ATOM 127 O ARG A 243 -2.192 4.965 -1.968 1.00 15.00 O ATOM 128 CB ARG A 243 -1.460 3.199 -4.441 1.00 15.00 C ATOM 129 CG ARG A 243 -2.723 3.312 -5.274 1.00 15.00 C ATOM 130 CD ARG A 243 -2.798 2.238 -6.339 1.00 15.00 C ATOM 131 NE ARG A 243 -3.689 2.635 -7.429 1.00 15.00 N ATOM 132 CZ ARG A 243 -3.503 2.308 -8.707 1.00 15.00 C ATOM 133 NH1 ARG A 243 -2.474 1.546 -9.059 1.00 15.00 N1+ ATOM 134 NH2 ARG A 243 -4.357 2.730 -9.630 1.00 15.00 N ATOM 0 H ARG A 243 0.228 3.971 -2.352 1.00 15.00 H new ATOM 0 HA ARG A 243 -0.744 5.175 -4.864 1.00 15.00 H new ATOM 0 HB2 ARG A 243 -0.688 2.696 -5.023 1.00 15.00 H new ATOM 0 HB3 ARG A 243 -1.658 2.577 -3.568 1.00 15.00 H new ATOM 0 HG2 ARG A 243 -3.594 3.239 -4.623 1.00 15.00 H new ATOM 0 HG3 ARG A 243 -2.759 4.294 -5.746 1.00 15.00 H new ATOM 0 HD2 ARG A 243 -1.801 2.043 -6.734 1.00 15.00 H new ATOM 0 HD3 ARG A 243 -3.153 1.307 -5.896 1.00 15.00 H new ATOM 0 HE ARG A 243 -4.506 3.199 -7.195 1.00 15.00 H new ATOM 0 HH11 ARG A 243 -1.823 1.209 -8.350 1.00 15.00 H new ATOM 0 HH12 ARG A 243 -2.335 1.298 -10.038 1.00 15.00 H new ATOM 0 HH21 ARG A 243 -5.156 3.305 -9.361 1.00 15.00 H new ATOM 0 HH22 ARG A 243 -4.215 2.480 -10.609 1.00 15.00 H new ATOM 148 N THR A 244 -2.694 6.190 -3.790 1.00 15.00 N ATOM 149 CA THR A 244 -3.718 6.990 -3.151 1.00 15.00 C ATOM 150 C THR A 244 -4.999 6.938 -3.979 1.00 15.00 C ATOM 151 O THR A 244 -5.028 7.384 -5.125 1.00 15.00 O ATOM 152 CB THR A 244 -3.267 8.460 -3.004 1.00 15.00 C ATOM 153 OG1 THR A 244 -1.942 8.522 -2.453 1.00 15.00 O ATOM 154 CG2 THR A 244 -4.227 9.240 -2.113 1.00 15.00 C ATOM 0 H THR A 244 -2.564 6.401 -4.779 1.00 15.00 H new ATOM 0 HA THR A 244 -3.897 6.581 -2.156 1.00 15.00 H new ATOM 0 HB THR A 244 -3.268 8.911 -3.996 1.00 15.00 H new ATOM 0 HG1 THR A 244 -1.667 9.459 -2.366 1.00 15.00 H new ATOM 0 HG21 THR A 244 -3.886 10.272 -2.026 1.00 15.00 H new ATOM 0 HG22 THR A 244 -5.225 9.223 -2.551 1.00 15.00 H new ATOM 0 HG23 THR A 244 -4.257 8.784 -1.124 1.00 15.00 H new ATOM 162 N THR A 245 -6.042 6.370 -3.404 1.00 15.00 N ATOM 163 CA THR A 245 -7.322 6.244 -4.083 1.00 15.00 C ATOM 164 C THR A 245 -8.194 7.460 -3.808 1.00 15.00 C ATOM 165 O THR A 245 -8.047 8.105 -2.772 1.00 15.00 O ATOM 166 CB THR A 245 -8.072 4.958 -3.668 1.00 15.00 C ATOM 167 OG1 THR A 245 -9.440 5.017 -4.086 1.00 15.00 O ATOM 168 CG2 THR A 245 -8.004 4.742 -2.163 1.00 15.00 C ATOM 0 H THR A 245 -6.029 5.985 -2.460 1.00 15.00 H new ATOM 0 HA THR A 245 -7.114 6.181 -5.151 1.00 15.00 H new ATOM 0 HB THR A 245 -7.583 4.117 -4.160 1.00 15.00 H new ATOM 0 HG1 THR A 245 -9.983 4.441 -3.509 1.00 15.00 H new ATOM 0 HG21 THR A 245 -8.540 3.830 -1.902 1.00 15.00 H new ATOM 0 HG22 THR A 245 -6.962 4.651 -1.855 1.00 15.00 H new ATOM 0 HG23 THR A 245 -8.460 5.590 -1.653 1.00 15.00 H new ATOM 176 N VAL A 246 -9.065 7.790 -4.766 1.00 15.00 N ATOM 177 CA VAL A 246 -10.046 8.870 -4.606 1.00 15.00 C ATOM 178 C VAL A 246 -10.873 8.665 -3.326 1.00 15.00 C ATOM 179 O VAL A 246 -11.516 9.589 -2.824 1.00 15.00 O ATOM 180 CB VAL A 246 -10.993 8.941 -5.830 1.00 15.00 C ATOM 181 CG1 VAL A 246 -11.886 10.172 -5.766 1.00 15.00 C ATOM 182 CG2 VAL A 246 -10.193 8.926 -7.125 1.00 15.00 C ATOM 0 H VAL A 246 -9.111 7.320 -5.670 1.00 15.00 H new ATOM 0 HA VAL A 246 -9.498 9.809 -4.530 1.00 15.00 H new ATOM 0 HB VAL A 246 -11.636 8.061 -5.808 1.00 15.00 H new ATOM 0 HG11 VAL A 246 -12.539 10.194 -6.639 1.00 15.00 H new ATOM 0 HG12 VAL A 246 -12.492 10.136 -4.860 1.00 15.00 H new ATOM 0 HG13 VAL A 246 -11.268 11.070 -5.753 1.00 15.00 H new ATOM 0 HG21 VAL A 246 -10.874 8.976 -7.974 1.00 15.00 H new ATOM 0 HG22 VAL A 246 -9.521 9.784 -7.147 1.00 15.00 H new ATOM 0 HG23 VAL A 246 -9.610 8.007 -7.182 1.00 15.00 H new ATOM 192 N GLN A 247 -10.837 7.439 -2.805 1.00 15.00 N ATOM 193 CA GLN A 247 -11.392 7.112 -1.493 1.00 15.00 C ATOM 194 C GLN A 247 -10.811 8.027 -0.406 1.00 15.00 C ATOM 195 O GLN A 247 -11.397 8.198 0.662 1.00 15.00 O ATOM 196 CB GLN A 247 -11.085 5.643 -1.178 1.00 15.00 C ATOM 197 CG GLN A 247 -11.422 5.195 0.234 1.00 15.00 C ATOM 198 CD GLN A 247 -12.915 5.099 0.490 1.00 15.00 C ATOM 199 OE1 GLN A 247 -13.713 5.837 -0.085 1.00 15.00 O ATOM 200 NE2 GLN A 247 -13.303 4.179 1.355 1.00 15.00 N ATOM 0 H GLN A 247 -10.420 6.641 -3.284 1.00 15.00 H new ATOM 0 HA GLN A 247 -12.471 7.268 -1.511 1.00 15.00 H new ATOM 0 HB2 GLN A 247 -11.634 5.016 -1.881 1.00 15.00 H new ATOM 0 HB3 GLN A 247 -10.024 5.465 -1.354 1.00 15.00 H new ATOM 0 HG2 GLN A 247 -10.965 4.223 0.419 1.00 15.00 H new ATOM 0 HG3 GLN A 247 -10.982 5.894 0.945 1.00 15.00 H new ATOM 0 HE21 GLN A 247 -12.611 3.585 1.812 1.00 15.00 H new ATOM 0 HE22 GLN A 247 -14.294 4.063 1.565 1.00 15.00 H new ATOM 209 N GLY A 248 -9.642 8.590 -0.681 1.00 15.00 N ATOM 210 CA GLY A 248 -9.035 9.534 0.234 1.00 15.00 C ATOM 211 C GLY A 248 -8.089 8.876 1.211 1.00 15.00 C ATOM 212 O GLY A 248 -7.734 9.467 2.231 1.00 15.00 O ATOM 0 H GLY A 248 -9.101 8.408 -1.527 1.00 15.00 H new ATOM 0 HA2 GLY A 248 -8.494 10.289 -0.336 1.00 15.00 H new ATOM 0 HA3 GLY A 248 -9.818 10.052 0.787 1.00 15.00 H new ATOM 216 N GLN A 249 -7.677 7.652 0.909 1.00 15.00 N ATOM 217 CA GLN A 249 -6.786 6.913 1.795 1.00 15.00 C ATOM 218 C GLN A 249 -5.625 6.327 1.004 1.00 15.00 C ATOM 219 O GLN A 249 -5.783 5.942 -0.157 1.00 15.00 O ATOM 220 CB GLN A 249 -7.542 5.785 2.506 1.00 15.00 C ATOM 221 CG GLN A 249 -8.943 6.161 2.943 1.00 15.00 C ATOM 222 CD GLN A 249 -9.612 5.102 3.795 1.00 15.00 C ATOM 223 OE1 GLN A 249 -9.492 5.105 5.019 1.00 15.00 O ATOM 224 NE2 GLN A 249 -10.325 4.187 3.154 1.00 15.00 N ATOM 0 H GLN A 249 -7.944 7.151 0.061 1.00 15.00 H new ATOM 0 HA GLN A 249 -6.401 7.605 2.543 1.00 15.00 H new ATOM 0 HB2 GLN A 249 -7.599 4.924 1.840 1.00 15.00 H new ATOM 0 HB3 GLN A 249 -6.971 5.474 3.381 1.00 15.00 H new ATOM 0 HG2 GLN A 249 -8.902 7.095 3.503 1.00 15.00 H new ATOM 0 HG3 GLN A 249 -9.554 6.345 2.059 1.00 15.00 H new ATOM 0 HE21 GLN A 249 -10.400 4.219 2.137 1.00 15.00 H new ATOM 0 HE22 GLN A 249 -10.799 3.451 3.677 1.00 15.00 H new ATOM 233 N VAL A 250 -4.471 6.249 1.641 1.00 15.00 N ATOM 234 CA VAL A 250 -3.288 5.677 1.017 1.00 15.00 C ATOM 235 C VAL A 250 -3.129 4.214 1.419 1.00 15.00 C ATOM 236 O VAL A 250 -3.407 3.846 2.558 1.00 15.00 O ATOM 237 CB VAL A 250 -2.012 6.465 1.404 1.00 15.00 C ATOM 238 CG1 VAL A 250 -2.107 7.901 0.912 1.00 15.00 C ATOM 239 CG2 VAL A 250 -1.783 6.436 2.910 1.00 15.00 C ATOM 0 H VAL A 250 -4.326 6.576 2.596 1.00 15.00 H new ATOM 0 HA VAL A 250 -3.420 5.742 -0.063 1.00 15.00 H new ATOM 0 HB VAL A 250 -1.160 5.983 0.924 1.00 15.00 H new ATOM 0 HG11 VAL A 250 -1.203 8.442 1.192 1.00 15.00 H new ATOM 0 HG12 VAL A 250 -2.213 7.908 -0.173 1.00 15.00 H new ATOM 0 HG13 VAL A 250 -2.973 8.384 1.364 1.00 15.00 H new ATOM 0 HG21 VAL A 250 -0.880 6.997 3.152 1.00 15.00 H new ATOM 0 HG22 VAL A 250 -2.637 6.886 3.417 1.00 15.00 H new ATOM 0 HG23 VAL A 250 -1.668 5.404 3.241 1.00 15.00 H new ATOM 249 N TYR A 251 -2.710 3.378 0.481 1.00 15.00 N ATOM 250 CA TYR A 251 -2.444 1.980 0.782 1.00 15.00 C ATOM 251 C TYR A 251 -1.141 1.538 0.116 1.00 15.00 C ATOM 252 O TYR A 251 -0.952 1.721 -1.089 1.00 15.00 O ATOM 253 CB TYR A 251 -3.652 1.079 0.407 1.00 15.00 C ATOM 254 CG TYR A 251 -4.192 1.192 -1.013 1.00 15.00 C ATOM 255 CD1 TYR A 251 -3.723 0.377 -2.048 1.00 15.00 C ATOM 256 CD2 TYR A 251 -5.229 2.070 -1.308 1.00 15.00 C ATOM 257 CE1 TYR A 251 -4.257 0.439 -3.309 1.00 15.00 C ATOM 258 CE2 TYR A 251 -5.759 2.138 -2.577 1.00 15.00 C ATOM 259 CZ TYR A 251 -5.274 1.323 -3.572 1.00 15.00 C ATOM 260 OH TYR A 251 -5.811 1.398 -4.833 1.00 15.00 O ATOM 0 H TYR A 251 -2.547 3.642 -0.491 1.00 15.00 H new ATOM 0 HA TYR A 251 -2.312 1.868 1.858 1.00 15.00 H new ATOM 0 HB2 TYR A 251 -3.365 0.041 0.577 1.00 15.00 H new ATOM 0 HB3 TYR A 251 -4.466 1.302 1.097 1.00 15.00 H new ATOM 0 HD1 TYR A 251 -2.921 -0.318 -1.849 1.00 15.00 H new ATOM 0 HD2 TYR A 251 -5.624 2.708 -0.531 1.00 15.00 H new ATOM 0 HE1 TYR A 251 -3.880 -0.204 -4.091 1.00 15.00 H new ATOM 0 HE2 TYR A 251 -6.557 2.833 -2.791 1.00 15.00 H new ATOM 0 HH TYR A 251 -5.357 0.759 -5.421 1.00 15.00 H new ATOM 270 N PHE A 252 -0.242 0.960 0.914 1.00 15.00 N ATOM 271 CA PHE A 252 1.109 0.637 0.455 1.00 15.00 C ATOM 272 C PHE A 252 1.172 -0.745 -0.142 1.00 15.00 C ATOM 273 O PHE A 252 1.025 -1.748 0.563 1.00 15.00 O ATOM 274 CB PHE A 252 2.115 0.731 1.600 1.00 15.00 C ATOM 275 CG PHE A 252 2.507 2.147 1.923 1.00 15.00 C ATOM 276 CD1 PHE A 252 2.341 2.663 3.203 1.00 15.00 C ATOM 277 CD2 PHE A 252 3.012 2.976 0.934 1.00 15.00 C ATOM 278 CE1 PHE A 252 2.674 3.975 3.485 1.00 15.00 C ATOM 279 CE2 PHE A 252 3.352 4.286 1.214 1.00 15.00 C ATOM 280 CZ PHE A 252 3.179 4.787 2.488 1.00 15.00 C ATOM 0 H PHE A 252 -0.426 0.705 1.884 1.00 15.00 H new ATOM 0 HA PHE A 252 1.365 1.367 -0.313 1.00 15.00 H new ATOM 0 HB2 PHE A 252 1.690 0.266 2.489 1.00 15.00 H new ATOM 0 HB3 PHE A 252 3.008 0.163 1.339 1.00 15.00 H new ATOM 0 HD1 PHE A 252 1.947 2.032 3.986 1.00 15.00 H new ATOM 0 HD2 PHE A 252 3.141 2.594 -0.068 1.00 15.00 H new ATOM 0 HE1 PHE A 252 2.539 4.364 4.483 1.00 15.00 H new ATOM 0 HE2 PHE A 252 3.753 4.918 0.435 1.00 15.00 H new ATOM 0 HZ PHE A 252 3.438 5.813 2.705 1.00 15.00 H new ATOM 290 N LEU A 253 1.387 -0.792 -1.447 1.00 15.00 N ATOM 291 CA LEU A 253 1.389 -2.049 -2.164 1.00 15.00 C ATOM 292 C LEU A 253 2.762 -2.479 -2.629 1.00 15.00 C ATOM 293 O LEU A 253 3.558 -1.703 -3.158 1.00 15.00 O ATOM 294 CB LEU A 253 0.368 -2.045 -3.308 1.00 15.00 C ATOM 295 CG LEU A 253 -1.015 -2.558 -2.896 1.00 15.00 C ATOM 296 CD1 LEU A 253 -1.101 -4.033 -3.232 1.00 15.00 C ATOM 297 CD2 LEU A 253 -1.233 -2.327 -1.410 1.00 15.00 C ATOM 0 H LEU A 253 1.562 0.028 -2.028 1.00 15.00 H new ATOM 0 HA LEU A 253 1.078 -2.806 -1.444 1.00 15.00 H new ATOM 0 HB2 LEU A 253 0.270 -1.030 -3.693 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.747 -2.660 -4.124 1.00 15.00 H new ATOM 0 HG LEU A 253 -1.794 -2.019 -3.436 1.00 15.00 H new ATOM 0 HD11 LEU A 253 -2.081 -4.415 -2.945 1.00 15.00 H new ATOM 0 HD12 LEU A 253 -0.958 -4.171 -4.304 1.00 15.00 H new ATOM 0 HD13 LEU A 253 -0.327 -4.575 -2.690 1.00 15.00 H new ATOM 0 HD21 LEU A 253 -2.219 -2.695 -1.125 1.00 15.00 H new ATOM 0 HD22 LEU A 253 -0.469 -2.860 -0.843 1.00 15.00 H new ATOM 0 HD23 LEU A 253 -1.167 -1.261 -1.194 1.00 15.00 H new ATOM 309 N HIS A 254 2.994 -3.753 -2.412 1.00 15.00 N ATOM 310 CA HIS A 254 4.246 -4.412 -2.719 1.00 15.00 C ATOM 311 C HIS A 254 3.951 -5.841 -3.079 1.00 15.00 C ATOM 312 O HIS A 254 3.613 -6.632 -2.197 1.00 15.00 O ATOM 313 CB HIS A 254 5.164 -4.391 -1.491 1.00 15.00 C ATOM 314 CG HIS A 254 6.288 -5.391 -1.514 1.00 15.00 C ATOM 315 ND1 HIS A 254 6.309 -6.505 -0.698 1.00 15.00 N ATOM 316 CD2 HIS A 254 7.417 -5.454 -2.257 1.00 15.00 C ATOM 317 CE1 HIS A 254 7.397 -7.210 -0.942 1.00 15.00 C ATOM 318 NE2 HIS A 254 8.090 -6.592 -1.886 1.00 15.00 N ATOM 0 H HIS A 254 2.298 -4.379 -2.006 1.00 15.00 H new ATOM 0 HA HIS A 254 4.739 -3.898 -3.544 1.00 15.00 H new ATOM 0 HB2 HIS A 254 5.590 -3.392 -1.392 1.00 15.00 H new ATOM 0 HB3 HIS A 254 4.559 -4.569 -0.602 1.00 15.00 H new ATOM 0 HD2 HIS A 254 7.731 -4.740 -3.004 1.00 15.00 H new ATOM 0 HE1 HIS A 254 7.675 -8.133 -0.455 1.00 15.00 H new ATOM 0 HE2 HIS A 254 8.978 -6.909 -2.274 1.00 15.00 H new ATOM 327 N THR A 255 4.054 -6.218 -4.330 1.00 15.00 N ATOM 328 CA THR A 255 3.779 -7.600 -4.599 1.00 15.00 C ATOM 329 C THR A 255 5.069 -8.369 -4.818 1.00 15.00 C ATOM 330 O THR A 255 5.584 -8.491 -5.924 1.00 15.00 O ATOM 331 CB THR A 255 2.860 -7.750 -5.825 1.00 15.00 C ATOM 332 OG1 THR A 255 1.754 -6.843 -5.707 1.00 15.00 O ATOM 333 CG2 THR A 255 2.335 -9.173 -5.944 1.00 15.00 C ATOM 0 H THR A 255 4.308 -5.632 -5.126 1.00 15.00 H new ATOM 0 HA THR A 255 3.266 -8.014 -3.731 1.00 15.00 H new ATOM 0 HB THR A 255 3.440 -7.520 -6.719 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.169 -6.937 -6.488 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.689 -9.250 -6.818 1.00 15.00 H new ATOM 0 HG22 THR A 255 3.173 -9.862 -6.050 1.00 15.00 H new ATOM 0 HG23 THR A 255 1.767 -9.427 -5.049 1.00 15.00 H new ATOM 341 N GLN A 256 5.592 -8.830 -3.699 1.00 15.00 N ATOM 342 CA GLN A 256 6.372 -10.043 -3.592 1.00 15.00 C ATOM 343 C GLN A 256 5.460 -11.116 -3.030 1.00 15.00 C ATOM 344 O GLN A 256 5.390 -12.243 -3.512 1.00 15.00 O ATOM 345 CB GLN A 256 7.571 -9.817 -2.672 1.00 15.00 C ATOM 346 CG GLN A 256 8.342 -11.069 -2.304 1.00 15.00 C ATOM 347 CD GLN A 256 9.363 -10.797 -1.216 1.00 15.00 C ATOM 348 OE1 GLN A 256 9.177 -9.903 -0.389 1.00 15.00 O ATOM 349 NE2 GLN A 256 10.436 -11.566 -1.201 1.00 15.00 N ATOM 0 H GLN A 256 5.480 -8.350 -2.806 1.00 15.00 H new ATOM 0 HA GLN A 256 6.758 -10.345 -4.566 1.00 15.00 H new ATOM 0 HB2 GLN A 256 8.253 -9.117 -3.155 1.00 15.00 H new ATOM 0 HB3 GLN A 256 7.222 -9.341 -1.756 1.00 15.00 H new ATOM 0 HG2 GLN A 256 7.648 -11.839 -1.968 1.00 15.00 H new ATOM 0 HG3 GLN A 256 8.847 -11.459 -3.188 1.00 15.00 H new ATOM 0 HE21 GLN A 256 10.551 -12.295 -1.905 1.00 15.00 H new ATOM 0 HE22 GLN A 256 11.150 -11.431 -0.485 1.00 15.00 H new ATOM 358 N THR A 257 4.777 -10.713 -1.955 1.00 15.00 N ATOM 359 CA THR A 257 3.905 -11.578 -1.198 1.00 15.00 C ATOM 360 C THR A 257 2.525 -10.995 -1.086 1.00 15.00 C ATOM 361 O THR A 257 1.735 -11.300 -0.193 1.00 15.00 O ATOM 362 CB THR A 257 4.436 -11.758 0.200 1.00 15.00 C ATOM 363 OG1 THR A 257 4.628 -10.472 0.813 1.00 15.00 O ATOM 364 CG2 THR A 257 5.750 -12.518 0.214 1.00 15.00 C ATOM 0 H THR A 257 4.823 -9.761 -1.591 1.00 15.00 H new ATOM 0 HA THR A 257 3.863 -12.532 -1.723 1.00 15.00 H new ATOM 0 HB THR A 257 3.703 -12.340 0.758 1.00 15.00 H new ATOM 0 HG1 THR A 257 4.972 -10.591 1.723 1.00 15.00 H new ATOM 0 HG21 THR A 257 6.097 -12.625 1.242 1.00 15.00 H new ATOM 0 HG22 THR A 257 5.604 -13.505 -0.225 1.00 15.00 H new ATOM 0 HG23 THR A 257 6.493 -11.970 -0.365 1.00 15.00 H new ATOM 372 N GLY A 258 2.282 -10.201 -2.050 1.00 15.00 N ATOM 373 CA GLY A 258 1.067 -9.408 -2.144 1.00 15.00 C ATOM 374 C GLY A 258 0.798 -8.572 -0.898 1.00 15.00 C ATOM 375 O GLY A 258 -0.068 -8.913 -0.094 1.00 15.00 O ATOM 0 H GLY A 258 2.923 -10.061 -2.831 1.00 15.00 H new ATOM 0 HA2 GLY A 258 1.138 -8.748 -3.008 1.00 15.00 H new ATOM 0 HA3 GLY A 258 0.220 -10.072 -2.318 1.00 15.00 H new ATOM 379 N VAL A 259 1.540 -7.480 -0.727 1.00 15.00 N ATOM 380 CA VAL A 259 1.295 -6.574 0.398 1.00 15.00 C ATOM 381 C VAL A 259 0.300 -5.502 0.040 1.00 15.00 C ATOM 382 O VAL A 259 0.525 -4.716 -0.871 1.00 15.00 O ATOM 383 CB VAL A 259 2.576 -5.887 0.942 1.00 15.00 C ATOM 384 CG1 VAL A 259 2.221 -4.821 1.975 1.00 15.00 C ATOM 385 CG2 VAL A 259 3.450 -6.937 1.577 1.00 15.00 C ATOM 0 H VAL A 259 2.305 -7.202 -1.341 1.00 15.00 H new ATOM 0 HA VAL A 259 0.897 -7.217 1.183 1.00 15.00 H new ATOM 0 HB VAL A 259 3.102 -5.402 0.120 1.00 15.00 H new ATOM 0 HG11 VAL A 259 3.134 -4.353 2.343 1.00 15.00 H new ATOM 0 HG12 VAL A 259 1.585 -4.065 1.514 1.00 15.00 H new ATOM 0 HG13 VAL A 259 1.690 -5.283 2.807 1.00 15.00 H new ATOM 0 HG21 VAL A 259 4.356 -6.471 1.965 1.00 15.00 H new ATOM 0 HG22 VAL A 259 2.909 -7.415 2.394 1.00 15.00 H new ATOM 0 HG23 VAL A 259 3.718 -7.686 0.832 1.00 15.00 H new ATOM 395 N SER A 260 -0.786 -5.498 0.786 1.00 15.00 N ATOM 396 CA SER A 260 -1.790 -4.439 0.721 1.00 15.00 C ATOM 397 C SER A 260 -2.162 -4.027 2.131 1.00 15.00 C ATOM 398 O SER A 260 -2.820 -4.775 2.852 1.00 15.00 O ATOM 399 CB SER A 260 -3.036 -4.860 -0.075 1.00 15.00 C ATOM 400 OG SER A 260 -3.459 -6.168 0.276 1.00 15.00 O ATOM 0 H SER A 260 -1.004 -6.231 1.461 1.00 15.00 H new ATOM 0 HA SER A 260 -1.360 -3.591 0.188 1.00 15.00 H new ATOM 0 HB2 SER A 260 -3.844 -4.153 0.111 1.00 15.00 H new ATOM 0 HB3 SER A 260 -2.818 -4.821 -1.142 1.00 15.00 H new ATOM 0 HG SER A 260 -3.445 -6.266 1.251 1.00 15.00 H new ATOM 406 N THR A 261 -1.711 -2.853 2.535 1.00 15.00 N ATOM 407 CA THR A 261 -1.780 -2.484 3.944 1.00 15.00 C ATOM 408 C THR A 261 -1.926 -0.980 4.156 1.00 15.00 C ATOM 409 O THR A 261 -1.477 -0.176 3.330 1.00 15.00 O ATOM 410 CB THR A 261 -0.535 -2.998 4.699 1.00 15.00 C ATOM 411 OG1 THR A 261 -0.669 -2.755 6.103 1.00 15.00 O ATOM 412 CG2 THR A 261 0.735 -2.334 4.187 1.00 15.00 C ATOM 0 H THR A 261 -1.300 -2.148 1.923 1.00 15.00 H new ATOM 0 HA THR A 261 -2.677 -2.957 4.344 1.00 15.00 H new ATOM 0 HB THR A 261 -0.460 -4.071 4.521 1.00 15.00 H new ATOM 0 HG1 THR A 261 -0.955 -3.578 6.552 1.00 15.00 H new ATOM 0 HG21 THR A 261 1.594 -2.717 4.739 1.00 15.00 H new ATOM 0 HG22 THR A 261 0.858 -2.553 3.126 1.00 15.00 H new ATOM 0 HG23 THR A 261 0.664 -1.256 4.329 1.00 15.00 H new ATOM 420 N TRP A 262 -2.585 -0.615 5.257 1.00 15.00 N ATOM 421 CA TRP A 262 -2.702 0.779 5.665 1.00 15.00 C ATOM 422 C TRP A 262 -1.377 1.306 6.207 1.00 15.00 C ATOM 423 O TRP A 262 -1.111 2.507 6.163 1.00 15.00 O ATOM 424 CB TRP A 262 -3.734 0.951 6.779 1.00 15.00 C ATOM 425 CG TRP A 262 -5.168 0.789 6.385 1.00 15.00 C ATOM 426 CD1 TRP A 262 -6.068 -0.080 6.936 1.00 15.00 C ATOM 427 CD2 TRP A 262 -5.887 1.518 5.384 1.00 15.00 C ATOM 428 NE1 TRP A 262 -7.291 0.086 6.372 1.00 15.00 N ATOM 429 CE2 TRP A 262 -7.209 1.047 5.416 1.00 15.00 C ATOM 430 CE3 TRP A 262 -5.559 2.525 4.463 1.00 15.00 C ATOM 431 CZ2 TRP A 262 -8.186 1.540 4.586 1.00 15.00 C ATOM 432 CZ3 TRP A 262 -6.557 3.001 3.628 1.00 15.00 C ATOM 433 CH2 TRP A 262 -7.852 2.498 3.711 1.00 15.00 C ATOM 0 H TRP A 262 -3.048 -1.274 5.884 1.00 15.00 H new ATOM 0 HA TRP A 262 -3.005 1.331 4.775 1.00 15.00 H new ATOM 0 HB2 TRP A 262 -3.512 0.230 7.566 1.00 15.00 H new ATOM 0 HB3 TRP A 262 -3.608 1.943 7.212 1.00 15.00 H new ATOM 0 HD1 TRP A 262 -5.838 -0.797 7.710 1.00 15.00 H new ATOM 0 HE1 TRP A 262 -8.135 -0.428 6.625 1.00 15.00 H new ATOM 0 HE3 TRP A 262 -4.555 2.919 4.407 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 -9.198 1.165 4.637 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 -6.328 3.770 2.905 1.00 15.00 H new ATOM 0 HH2 TRP A 262 -8.610 2.892 3.050 1.00 15.00 H new ATOM 444 N HIS A 263 -0.571 0.415 6.773 1.00 15.00 N ATOM 445 CA HIS A 263 0.610 0.844 7.512 1.00 15.00 C ATOM 446 C HIS A 263 1.809 0.999 6.588 1.00 15.00 C ATOM 447 O HIS A 263 2.073 0.143 5.744 1.00 15.00 O ATOM 448 CB HIS A 263 0.930 -0.127 8.674 1.00 15.00 C ATOM 449 CG HIS A 263 1.856 -1.269 8.337 1.00 15.00 C ATOM 450 ND1 HIS A 263 3.229 -1.175 8.434 1.00 15.00 N ATOM 451 CD2 HIS A 263 1.602 -2.534 7.923 1.00 15.00 C ATOM 452 CE1 HIS A 263 3.774 -2.328 8.094 1.00 15.00 C ATOM 453 NE2 HIS A 263 2.810 -3.169 7.782 1.00 15.00 N ATOM 0 H HIS A 263 -0.710 -0.595 6.736 1.00 15.00 H new ATOM 0 HA HIS A 263 0.390 1.820 7.945 1.00 15.00 H new ATOM 0 HB2 HIS A 263 1.371 0.445 9.490 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -0.007 -0.541 9.045 1.00 15.00 H new ATOM 0 HD1 HIS A 263 3.743 -0.343 8.724 1.00 15.00 H new ATOM 0 HD2 HIS A 263 0.628 -2.963 7.738 1.00 15.00 H new ATOM 0 HE1 HIS A 263 4.832 -2.545 8.075 1.00 15.00 H new ATOM 462 N ASP A 264 2.521 2.104 6.761 1.00 15.00 N ATOM 463 CA ASP A 264 3.791 2.321 6.084 1.00 15.00 C ATOM 464 C ASP A 264 4.710 1.129 6.334 1.00 15.00 C ATOM 465 O ASP A 264 4.915 0.722 7.468 1.00 15.00 O ATOM 466 CB ASP A 264 4.425 3.619 6.585 1.00 15.00 C ATOM 467 CG ASP A 264 5.740 3.934 5.910 1.00 15.00 C ATOM 468 OD1 ASP A 264 6.754 3.284 6.232 1.00 15.00 O ATOM 469 OD2 ASP A 264 5.773 4.849 5.068 1.00 15.00 O1- ATOM 0 H ASP A 264 2.237 2.871 7.371 1.00 15.00 H new ATOM 0 HA ASP A 264 3.629 2.412 5.010 1.00 15.00 H new ATOM 0 HB2 ASP A 264 3.731 4.443 6.419 1.00 15.00 H new ATOM 0 HB3 ASP A 264 4.583 3.548 7.661 1.00 15.00 H new ATOM 474 N PRO A 265 5.251 0.528 5.279 1.00 15.00 N ATOM 475 CA PRO A 265 6.032 -0.700 5.394 1.00 15.00 C ATOM 476 C PRO A 265 7.440 -0.490 5.912 1.00 15.00 C ATOM 477 O PRO A 265 8.129 -1.446 6.261 1.00 15.00 O ATOM 478 CB PRO A 265 6.044 -1.238 3.977 1.00 15.00 C ATOM 479 CG PRO A 265 5.962 -0.022 3.120 1.00 15.00 C ATOM 480 CD PRO A 265 5.129 0.971 3.880 1.00 15.00 C ATOM 0 HA PRO A 265 5.594 -1.380 6.125 1.00 15.00 H new ATOM 0 HB2 PRO A 265 6.952 -1.806 3.775 1.00 15.00 H new ATOM 0 HB3 PRO A 265 5.203 -1.908 3.799 1.00 15.00 H new ATOM 0 HG2 PRO A 265 6.955 0.378 2.916 1.00 15.00 H new ATOM 0 HG3 PRO A 265 5.508 -0.255 2.157 1.00 15.00 H new ATOM 0 HD2 PRO A 265 5.498 1.988 3.748 1.00 15.00 H new ATOM 0 HD3 PRO A 265 4.091 0.963 3.546 1.00 15.00 H new ATOM 488 N ARG A 266 7.885 0.744 5.913 1.00 15.00 N ATOM 489 CA ARG A 266 9.166 1.073 6.492 1.00 15.00 C ATOM 490 C ARG A 266 9.006 1.154 7.997 1.00 15.00 C ATOM 491 O ARG A 266 9.972 1.289 8.753 1.00 15.00 O ATOM 492 CB ARG A 266 9.640 2.392 5.928 1.00 15.00 C ATOM 493 CG ARG A 266 11.111 2.672 6.180 1.00 15.00 C ATOM 494 CD ARG A 266 11.994 1.592 5.584 1.00 15.00 C ATOM 495 NE ARG A 266 13.412 1.823 5.858 1.00 15.00 N ATOM 496 CZ ARG A 266 14.234 0.901 6.363 1.00 15.00 C ATOM 497 NH1 ARG A 266 13.764 -0.288 6.730 1.00 15.00 N1+ ATOM 498 NH2 ARG A 266 15.523 1.178 6.525 1.00 15.00 N ATOM 0 H ARG A 266 7.379 1.537 5.519 1.00 15.00 H new ATOM 0 HA ARG A 266 9.907 0.310 6.253 1.00 15.00 H new ATOM 0 HB2 ARG A 266 9.456 2.404 4.854 1.00 15.00 H new ATOM 0 HB3 ARG A 266 9.047 3.197 6.362 1.00 15.00 H new ATOM 0 HG2 ARG A 266 11.377 3.638 5.751 1.00 15.00 H new ATOM 0 HG3 ARG A 266 11.291 2.739 7.253 1.00 15.00 H new ATOM 0 HD2 ARG A 266 11.701 0.622 5.987 1.00 15.00 H new ATOM 0 HD3 ARG A 266 11.836 1.550 4.506 1.00 15.00 H new ATOM 0 HE ARG A 266 13.796 2.745 5.650 1.00 15.00 H new ATOM 0 HH11 ARG A 266 12.771 -0.498 6.626 1.00 15.00 H new ATOM 0 HH12 ARG A 266 14.396 -0.989 7.115 1.00 15.00 H new ATOM 0 HH21 ARG A 266 15.884 2.095 6.263 1.00 15.00 H new ATOM 0 HH22 ARG A 266 16.151 0.473 6.911 1.00 15.00 H new ATOM 512 N ILE A 267 7.754 1.082 8.399 1.00 15.00 N ATOM 513 CA ILE A 267 7.388 1.077 9.816 1.00 15.00 C ATOM 514 C ILE A 267 7.702 -0.283 10.425 1.00 15.00 C ATOM 515 O ILE A 267 6.916 -1.226 10.210 1.00 15.00 O ATOM 516 CB ILE A 267 5.888 1.388 10.050 1.00 15.00 C ATOM 517 CG1 ILE A 267 5.505 2.753 9.466 1.00 15.00 C ATOM 518 CG2 ILE A 267 5.553 1.337 11.536 1.00 15.00 C ATOM 519 CD1 ILE A 267 6.277 3.911 10.061 1.00 15.00 C ATOM 520 OXT ILE A 267 8.736 -0.410 11.113 1.00 15.00 O ATOM 0 H ILE A 267 6.959 1.025 7.763 1.00 15.00 H new ATOM 0 HA ILE A 267 7.972 1.864 10.293 1.00 15.00 H new ATOM 0 HB ILE A 267 5.307 0.624 9.534 1.00 15.00 H new ATOM 0 HG12 ILE A 267 5.668 2.735 8.388 1.00 15.00 H new ATOM 0 HG13 ILE A 267 4.439 2.919 9.624 1.00 15.00 H new ATOM 0 HG21 ILE A 267 4.495 1.558 11.678 1.00 15.00 H new ATOM 0 HG22 ILE A 267 5.771 0.342 11.924 1.00 15.00 H new ATOM 0 HG23 ILE A 267 6.153 2.074 12.070 1.00 15.00 H new ATOM 0 HD11 ILE A 267 5.951 4.842 9.598 1.00 15.00 H new ATOM 0 HD12 ILE A 267 6.095 3.956 11.135 1.00 15.00 H new ATOM 0 HD13 ILE A 267 7.342 3.770 9.880 1.00 15.00 H new TER 532 ILE A 267 ATOM 533 N THR B 208 1.103 2.828 -8.754 1.00 15.00 N ATOM 534 CA THR B 208 1.605 2.332 -10.050 1.00 15.00 C ATOM 535 C THR B 208 0.740 1.181 -10.570 1.00 15.00 C ATOM 536 O THR B 208 -0.044 1.361 -11.503 1.00 15.00 O ATOM 537 CB THR B 208 3.071 1.879 -9.923 1.00 15.00 C ATOM 538 OG1 THR B 208 3.821 2.886 -9.232 1.00 15.00 O ATOM 539 CG2 THR B 208 3.686 1.634 -11.294 1.00 15.00 C ATOM 0 HA THR B 208 1.551 3.151 -10.767 1.00 15.00 H new ATOM 0 HB THR B 208 3.099 0.944 -9.363 1.00 15.00 H new ATOM 0 HG1 THR B 208 3.262 3.291 -8.537 1.00 15.00 H new ATOM 0 HG21 THR B 208 4.722 1.315 -11.176 1.00 15.00 H new ATOM 0 HG22 THR B 208 3.123 0.857 -11.811 1.00 15.00 H new ATOM 0 HG23 THR B 208 3.654 2.554 -11.877 1.00 15.00 H new ATOM 549 N SER B 209 0.858 0.015 -9.946 1.00 15.00 N ATOM 550 CA SER B 209 0.117 -1.161 -10.375 1.00 15.00 C ATOM 551 C SER B 209 -0.379 -1.963 -9.172 1.00 15.00 C ATOM 552 O SER B 209 0.396 -2.645 -8.501 1.00 15.00 O ATOM 553 CB SER B 209 0.998 -2.032 -11.275 1.00 15.00 C ATOM 554 OG SER B 209 2.275 -2.242 -10.687 1.00 15.00 O ATOM 0 H SER B 209 1.462 -0.140 -9.139 1.00 15.00 H new ATOM 0 HA SER B 209 -0.755 -0.834 -10.942 1.00 15.00 H new ATOM 0 HB2 SER B 209 0.511 -2.992 -11.448 1.00 15.00 H new ATOM 0 HB3 SER B 209 1.115 -1.554 -12.248 1.00 15.00 H new ATOM 0 HG SER B 209 2.165 -2.487 -9.745 1.00 15.00 H new HETATM 560 N SEP B 210 -1.666 -1.857 -8.890 1.00 15.00 N HETATM 561 CA SEP B 210 -2.259 -2.552 -7.762 1.00 15.00 C HETATM 562 CB SEP B 210 -2.849 -1.517 -6.783 1.00 15.00 C HETATM 563 OG SEP B 210 -3.601 -0.535 -7.481 1.00 15.00 O HETATM 564 C SEP B 210 -3.320 -3.541 -8.249 1.00 15.00 C HETATM 565 O SEP B 210 -3.982 -3.315 -9.261 1.00 15.00 O HETATM 566 P SEP B 210 -5.170 -0.672 -7.889 1.00 15.00 P HETATM 567 O1P SEP B 210 -5.873 0.547 -7.485 1.00 15.00 O HETATM 568 O2P SEP B 210 -5.264 -0.832 -9.349 1.00 15.00 O HETATM 569 O3P SEP B 210 -5.735 -1.830 -7.206 1.00 15.00 O HETATM 0 HB3 SEP B 210 -3.486 -2.020 -6.055 1.00 15.00 H new HETATM 0 HB2 SEP B 210 -2.045 -1.037 -6.225 1.00 15.00 H new HETATM 0 HA SEP B 210 -1.497 -3.127 -7.236 1.00 15.00 H new ATOM 574 N ASP B 211 -3.440 -4.657 -7.550 1.00 15.00 N ATOM 575 CA ASP B 211 -4.511 -5.618 -7.797 1.00 15.00 C ATOM 576 C ASP B 211 -5.587 -5.662 -6.673 1.00 15.00 C ATOM 577 O ASP B 211 -6.672 -6.194 -6.902 1.00 15.00 O ATOM 578 CB ASP B 211 -3.921 -7.019 -8.001 1.00 15.00 C ATOM 579 CG ASP B 211 -4.990 -8.078 -8.204 1.00 15.00 C ATOM 580 OD1 ASP B 211 -5.146 -8.951 -7.320 1.00 15.00 O ATOM 581 OD2 ASP B 211 -5.693 -8.028 -9.234 1.00 15.00 O1- ATOM 0 H ASP B 211 -2.804 -4.925 -6.799 1.00 15.00 H new ATOM 0 HA ASP B 211 -5.020 -5.280 -8.700 1.00 15.00 H new ATOM 0 HB2 ASP B 211 -3.257 -7.007 -8.866 1.00 15.00 H new ATOM 0 HB3 ASP B 211 -3.313 -7.283 -7.136 1.00 15.00 H new ATOM 586 N PRO B 212 -5.351 -5.103 -5.456 1.00 15.00 N ATOM 587 CA PRO B 212 -6.223 -5.317 -4.318 1.00 15.00 C ATOM 588 C PRO B 212 -7.284 -4.231 -4.196 1.00 15.00 C ATOM 589 O PRO B 212 -7.134 -3.133 -4.732 1.00 15.00 O ATOM 590 CB PRO B 212 -5.240 -5.229 -3.158 1.00 15.00 C ATOM 591 CG PRO B 212 -4.259 -4.242 -3.571 1.00 15.00 C ATOM 592 CD PRO B 212 -4.294 -4.156 -5.073 1.00 15.00 C ATOM 0 HA PRO B 212 -6.783 -6.251 -4.376 1.00 15.00 H new ATOM 0 HB2 PRO B 212 -5.741 -4.927 -2.238 1.00 15.00 H new ATOM 0 HB3 PRO B 212 -4.772 -6.194 -2.964 1.00 15.00 H new ATOM 0 HG2 PRO B 212 -4.484 -3.272 -3.128 1.00 15.00 H new ATOM 0 HG3 PRO B 212 -3.264 -4.526 -3.228 1.00 15.00 H new ATOM 0 HD2 PRO B 212 -4.522 -3.145 -5.410 1.00 15.00 H new ATOM 0 HD3 PRO B 212 -3.334 -4.429 -5.511 1.00 15.00 H new ATOM 600 N GLY B 213 -8.343 -4.522 -3.474 1.00 15.00 N ATOM 601 CA GLY B 213 -9.337 -3.510 -3.228 1.00 15.00 C ATOM 602 C GLY B 213 -9.003 -2.739 -1.972 1.00 15.00 C ATOM 603 O GLY B 213 -8.250 -3.224 -1.122 1.00 15.00 O ATOM 0 H GLY B 213 -8.534 -5.433 -3.056 1.00 15.00 H new ATOM 0 HA2 GLY B 213 -9.390 -2.829 -4.077 1.00 15.00 H new ATOM 0 HA3 GLY B 213 -10.319 -3.972 -3.128 1.00 15.00 H new HETATM 607 N SEP B 214 -9.556 -1.552 -1.843 1.00 15.00 N HETATM 608 CA SEP B 214 -9.231 -0.686 -0.731 1.00 15.00 C HETATM 609 CB SEP B 214 -9.311 0.775 -1.185 1.00 15.00 C HETATM 610 OG SEP B 214 -10.156 0.906 -2.314 1.00 15.00 O HETATM 611 C SEP B 214 -10.175 -0.963 0.434 1.00 15.00 C HETATM 612 O SEP B 214 -11.350 -1.294 0.240 1.00 15.00 O HETATM 613 P SEP B 214 -11.415 1.921 -2.388 1.00 15.00 P HETATM 614 O1P SEP B 214 -11.830 2.254 -1.028 1.00 15.00 O HETATM 615 O2P SEP B 214 -12.494 1.240 -3.114 1.00 15.00 O HETATM 616 O3P SEP B 214 -10.998 3.123 -3.121 1.00 15.00 O HETATM 0 HB3 SEP B 214 -9.687 1.394 -0.370 1.00 15.00 H new HETATM 0 HB2 SEP B 214 -8.313 1.140 -1.428 1.00 15.00 H new HETATM 0 HA SEP B 214 -8.215 -0.883 -0.389 1.00 15.00 H new HETATM 0 H SEP B 214 -9.789 -1.150 -2.751 1.00 15.00 H new ATOM 621 N PRO B 215 -9.666 -0.825 1.659 1.00 15.00 N ATOM 622 CA PRO B 215 -10.385 -1.192 2.878 1.00 15.00 C ATOM 623 C PRO B 215 -11.235 -0.052 3.445 1.00 15.00 C ATOM 624 O PRO B 215 -10.766 1.062 3.659 1.00 15.00 O ATOM 625 CB PRO B 215 -9.224 -1.525 3.857 1.00 15.00 C ATOM 626 CG PRO B 215 -7.980 -1.457 3.033 1.00 15.00 C ATOM 627 CD PRO B 215 -8.289 -0.460 1.962 1.00 15.00 C ATOM 0 HA PRO B 215 -11.093 -2.002 2.706 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -9.189 -0.813 4.682 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -9.351 -2.515 4.296 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -7.125 -1.143 3.632 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -7.732 -2.430 2.609 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -8.199 0.568 2.313 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -7.632 -0.561 1.098 1.00 15.00 H new ATOM 635 N PHE B 216 -12.513 -0.338 3.653 1.00 15.00 N ATOM 636 CA PHE B 216 -13.416 0.612 4.282 1.00 15.00 C ATOM 637 C PHE B 216 -13.349 0.453 5.793 1.00 15.00 C ATOM 638 O PHE B 216 -14.077 -0.352 6.378 1.00 15.00 O ATOM 639 CB PHE B 216 -14.857 0.420 3.791 1.00 15.00 C ATOM 640 CG PHE B 216 -15.059 0.762 2.341 1.00 15.00 C ATOM 641 CD1 PHE B 216 -14.627 -0.095 1.342 1.00 15.00 C ATOM 642 CD2 PHE B 216 -15.687 1.942 1.980 1.00 15.00 C ATOM 643 CE1 PHE B 216 -14.817 0.218 0.011 1.00 15.00 C ATOM 644 CE2 PHE B 216 -15.879 2.261 0.649 1.00 15.00 C ATOM 645 CZ PHE B 216 -15.443 1.398 -0.336 1.00 15.00 C ATOM 0 H PHE B 216 -12.947 -1.224 3.394 1.00 15.00 H new ATOM 0 HA PHE B 216 -13.104 1.619 4.007 1.00 15.00 H new ATOM 0 HB2 PHE B 216 -15.150 -0.617 3.953 1.00 15.00 H new ATOM 0 HB3 PHE B 216 -15.521 1.038 4.395 1.00 15.00 H new ATOM 0 HD1 PHE B 216 -14.136 -1.019 1.608 1.00 15.00 H new ATOM 0 HD2 PHE B 216 -16.031 2.621 2.747 1.00 15.00 H new ATOM 0 HE1 PHE B 216 -14.476 -0.460 -0.758 1.00 15.00 H new ATOM 0 HE2 PHE B 216 -16.370 3.185 0.380 1.00 15.00 H new ATOM 0 HZ PHE B 216 -15.591 1.646 -1.377 1.00 15.00 H new ATOM 655 N GLN B 217 -12.426 1.171 6.410 1.00 15.00 N ATOM 656 CA GLN B 217 -12.199 1.060 7.839 1.00 15.00 C ATOM 657 C GLN B 217 -11.952 2.441 8.433 1.00 15.00 C ATOM 658 O GLN B 217 -10.806 2.927 8.350 1.00 15.00 O ATOM 659 CB GLN B 217 -10.999 0.145 8.118 1.00 15.00 C ATOM 660 CG GLN B 217 -11.115 -1.235 7.482 1.00 15.00 C ATOM 661 CD GLN B 217 -9.914 -2.113 7.762 1.00 15.00 C ATOM 662 OE1 GLN B 217 -8.803 -1.626 7.946 1.00 15.00 O ATOM 663 NE2 GLN B 217 -10.125 -3.418 7.782 1.00 15.00 N ATOM 664 OXT GLN B 217 -12.906 3.040 8.968 1.00 15.00 O ATOM 0 H GLN B 217 -11.818 1.841 5.939 1.00 15.00 H new ATOM 0 HA GLN B 217 -13.084 0.625 8.303 1.00 15.00 H new ATOM 0 HB2 GLN B 217 -10.093 0.628 7.752 1.00 15.00 H new ATOM 0 HB3 GLN B 217 -10.885 0.029 9.196 1.00 15.00 H new ATOM 0 HG2 GLN B 217 -12.014 -1.727 7.854 1.00 15.00 H new ATOM 0 HG3 GLN B 217 -11.235 -1.124 6.404 1.00 15.00 H new ATOM 0 HE21 GLN B 217 -11.063 -3.785 7.625 1.00 15.00 H new ATOM 0 HE22 GLN B 217 -9.349 -4.057 7.955 1.00 15.00 H new TER 673 GLN B 217