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 Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 244 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 245 THR OG1 : rot 180:sc= 0.0582 USER MOD Single : A 247 GLN : amide:sc= 0.655 K(o=0.65,f=-0.079) USER MOD Single : A 249 GLN : amide:sc= -1.35 K(o=-1.3,f=-0.56) USER MOD Single : A 251 TYR OH : rot 171:sc= 0.892 USER MOD Single : A 254 HIS : no HD1:sc= -3.91 K(o=-3.9,f=-1.4) USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 GLN : amide:sc= -0.412 X(o=-0.41,f=0) USER MOD Single : A 257 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 SER OG : rot 46:sc= 0.0156 USER MOD Single : A 261 THR OG1 : rot 180:sc= 0 USER MOD Single : A 263 HIS : no HE2:sc= -0.198 K(o=-0.2,f=-1.5) USER MOD Single : B 208 THR OG1 : rot -34:sc= 0.267 USER MOD Single : B 209 SER OG : rot 180:sc= 0 USER MOD Single : B 217 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 235 9.779 7.898 1.674 1.00 15.00 N ATOM 2 CA GLU A 235 10.685 6.852 1.147 1.00 15.00 C ATOM 3 C GLU A 235 10.451 5.537 1.880 1.00 15.00 C ATOM 4 O GLU A 235 10.476 5.491 3.110 1.00 15.00 O ATOM 5 CB GLU A 235 12.155 7.266 1.301 1.00 15.00 C ATOM 6 CG GLU A 235 12.535 8.534 0.545 1.00 15.00 C ATOM 7 CD GLU A 235 11.946 9.783 1.164 1.00 15.00 C ATOM 8 OE1 GLU A 235 10.863 10.212 0.722 1.00 15.00 O ATOM 9 OE2 GLU A 235 12.544 10.317 2.122 1.00 15.00 O1- ATOM 0 HA GLU A 235 10.467 6.724 0.087 1.00 15.00 H new ATOM 0 HB2 GLU A 235 12.370 7.411 2.360 1.00 15.00 H new ATOM 0 HB3 GLU A 235 12.788 6.448 0.956 1.00 15.00 H new ATOM 0 HG2 GLU A 235 13.621 8.624 0.518 1.00 15.00 H new ATOM 0 HG3 GLU A 235 12.197 8.451 -0.488 1.00 15.00 H new ATOM 16 N LEU A 236 10.223 4.477 1.123 1.00 15.00 N ATOM 17 CA LEU A 236 10.019 3.152 1.699 1.00 15.00 C ATOM 18 C LEU A 236 11.165 2.248 1.251 1.00 15.00 C ATOM 19 O LEU A 236 12.037 2.691 0.500 1.00 15.00 O ATOM 20 CB LEU A 236 8.674 2.526 1.252 1.00 15.00 C ATOM 21 CG LEU A 236 7.438 3.436 1.232 1.00 15.00 C ATOM 22 CD1 LEU A 236 7.333 4.263 2.504 1.00 15.00 C ATOM 23 CD2 LEU A 236 7.444 4.323 0.001 1.00 15.00 C ATOM 0 H LEU A 236 10.174 4.505 0.105 1.00 15.00 H new ATOM 0 HA LEU A 236 9.994 3.250 2.784 1.00 15.00 H new ATOM 0 HB2 LEU A 236 8.809 2.121 0.249 1.00 15.00 H new ATOM 0 HB3 LEU A 236 8.460 1.684 1.910 1.00 15.00 H new ATOM 0 HG LEU A 236 6.556 2.798 1.187 1.00 15.00 H new ATOM 0 HD11 LEU A 236 6.446 4.895 2.455 1.00 15.00 H new ATOM 0 HD12 LEU A 236 7.258 3.599 3.365 1.00 15.00 H new ATOM 0 HD13 LEU A 236 8.220 4.889 2.605 1.00 15.00 H new ATOM 0 HD21 LEU A 236 6.559 4.960 0.007 1.00 15.00 H new ATOM 0 HD22 LEU A 236 8.339 4.945 0.005 1.00 15.00 H new ATOM 0 HD23 LEU A 236 7.438 3.702 -0.895 1.00 15.00 H new ATOM 35 N PRO A 237 11.207 0.982 1.702 1.00 15.00 N ATOM 36 CA PRO A 237 12.123 -0.004 1.129 1.00 15.00 C ATOM 37 C PRO A 237 11.701 -0.367 -0.282 1.00 15.00 C ATOM 38 O PRO A 237 10.545 -0.179 -0.674 1.00 15.00 O ATOM 39 CB PRO A 237 12.008 -1.219 2.060 1.00 15.00 C ATOM 40 CG PRO A 237 11.262 -0.747 3.265 1.00 15.00 C ATOM 41 CD PRO A 237 10.442 0.438 2.833 1.00 15.00 C ATOM 0 HA PRO A 237 13.145 0.368 1.058 1.00 15.00 H new ATOM 0 HB2 PRO A 237 11.480 -2.037 1.570 1.00 15.00 H new ATOM 0 HB3 PRO A 237 12.994 -1.595 2.334 1.00 15.00 H new ATOM 0 HG2 PRO A 237 10.622 -1.537 3.657 1.00 15.00 H new ATOM 0 HG3 PRO A 237 11.952 -0.470 4.062 1.00 15.00 H new ATOM 0 HD2 PRO A 237 9.436 0.144 2.534 1.00 15.00 H new ATOM 0 HD3 PRO A 237 10.336 1.168 3.635 1.00 15.00 H new ATOM 49 N GLU A 238 12.637 -0.911 -1.028 1.00 15.00 N ATOM 50 CA GLU A 238 12.446 -1.139 -2.454 1.00 15.00 C ATOM 51 C GLU A 238 11.428 -2.246 -2.706 1.00 15.00 C ATOM 52 O GLU A 238 11.604 -3.386 -2.272 1.00 15.00 O ATOM 53 CB GLU A 238 13.784 -1.511 -3.097 1.00 15.00 C ATOM 54 CG GLU A 238 13.753 -1.533 -4.616 1.00 15.00 C ATOM 55 CD GLU A 238 13.474 -0.167 -5.205 1.00 15.00 C ATOM 56 OE1 GLU A 238 12.343 0.063 -5.677 1.00 15.00 O ATOM 57 OE2 GLU A 238 14.386 0.683 -5.199 1.00 15.00 O1- ATOM 0 H GLU A 238 13.546 -1.207 -0.673 1.00 15.00 H new ATOM 0 HA GLU A 238 12.064 -0.220 -2.899 1.00 15.00 H new ATOM 0 HB2 GLU A 238 14.543 -0.801 -2.769 1.00 15.00 H new ATOM 0 HB3 GLU A 238 14.089 -2.493 -2.735 1.00 15.00 H new ATOM 0 HG2 GLU A 238 14.708 -1.900 -4.991 1.00 15.00 H new ATOM 0 HG3 GLU A 238 12.989 -2.234 -4.951 1.00 15.00 H new ATOM 64 N GLY A 239 10.355 -1.891 -3.405 1.00 15.00 N ATOM 65 CA GLY A 239 9.332 -2.860 -3.737 1.00 15.00 C ATOM 66 C GLY A 239 7.924 -2.341 -3.507 1.00 15.00 C ATOM 67 O GLY A 239 6.979 -2.798 -4.150 1.00 15.00 O ATOM 0 H GLY A 239 10.177 -0.947 -3.747 1.00 15.00 H new ATOM 0 HA2 GLY A 239 9.440 -3.150 -4.782 1.00 15.00 H new ATOM 0 HA3 GLY A 239 9.484 -3.759 -3.140 1.00 15.00 H new ATOM 71 N TYR A 240 7.774 -1.405 -2.580 1.00 15.00 N ATOM 72 CA TYR A 240 6.456 -0.861 -2.255 1.00 15.00 C ATOM 73 C TYR A 240 6.170 0.380 -3.084 1.00 15.00 C ATOM 74 O TYR A 240 7.034 1.246 -3.218 1.00 15.00 O ATOM 75 CB TYR A 240 6.375 -0.440 -0.780 1.00 15.00 C ATOM 76 CG TYR A 240 6.820 -1.483 0.211 1.00 15.00 C ATOM 77 CD1 TYR A 240 8.123 -1.504 0.676 1.00 15.00 C ATOM 78 CD2 TYR A 240 5.939 -2.441 0.684 1.00 15.00 C ATOM 79 CE1 TYR A 240 8.540 -2.454 1.580 1.00 15.00 C ATOM 80 CE2 TYR A 240 6.347 -3.398 1.588 1.00 15.00 C ATOM 81 CZ TYR A 240 7.652 -3.404 2.032 1.00 15.00 C ATOM 82 OH TYR A 240 8.066 -4.358 2.933 1.00 15.00 O ATOM 0 H TYR A 240 8.542 -1.006 -2.040 1.00 15.00 H new ATOM 0 HA TYR A 240 5.733 -1.649 -2.466 1.00 15.00 H new ATOM 0 HB2 TYR A 240 6.983 0.454 -0.640 1.00 15.00 H new ATOM 0 HB3 TYR A 240 5.345 -0.163 -0.554 1.00 15.00 H new ATOM 0 HD1 TYR A 240 8.825 -0.762 0.324 1.00 15.00 H new ATOM 0 HD2 TYR A 240 4.916 -2.438 0.339 1.00 15.00 H new ATOM 0 HE1 TYR A 240 9.560 -2.454 1.934 1.00 15.00 H new ATOM 0 HE2 TYR A 240 5.648 -4.139 1.947 1.00 15.00 H new ATOM 0 HH TYR A 240 7.316 -4.951 3.150 1.00 15.00 H new ATOM 92 N GLU A 241 4.963 0.487 -3.606 1.00 15.00 N ATOM 93 CA GLU A 241 4.517 1.741 -4.180 1.00 15.00 C ATOM 94 C GLU A 241 3.446 2.350 -3.285 1.00 15.00 C ATOM 95 O GLU A 241 2.602 1.638 -2.732 1.00 15.00 O ATOM 96 CB GLU A 241 3.989 1.569 -5.611 1.00 15.00 C ATOM 97 CG GLU A 241 2.699 0.768 -5.736 1.00 15.00 C ATOM 98 CD GLU A 241 1.957 1.095 -7.018 1.00 15.00 C ATOM 99 OE1 GLU A 241 0.929 1.796 -6.953 1.00 15.00 O ATOM 100 OE2 GLU A 241 2.420 0.697 -8.108 1.00 15.00 O1- ATOM 0 H GLU A 241 4.281 -0.270 -3.644 1.00 15.00 H new ATOM 0 HA GLU A 241 5.375 2.411 -4.240 1.00 15.00 H new ATOM 0 HB2 GLU A 241 3.827 2.557 -6.042 1.00 15.00 H new ATOM 0 HB3 GLU A 241 4.759 1.082 -6.209 1.00 15.00 H new ATOM 0 HG2 GLU A 241 2.928 -0.297 -5.710 1.00 15.00 H new ATOM 0 HG3 GLU A 241 2.057 0.977 -4.880 1.00 15.00 H new ATOM 107 N GLN A 242 3.483 3.663 -3.140 1.00 15.00 N ATOM 108 CA GLN A 242 2.493 4.351 -2.340 1.00 15.00 C ATOM 109 C GLN A 242 1.318 4.737 -3.217 1.00 15.00 C ATOM 110 O GLN A 242 1.382 5.712 -3.968 1.00 15.00 O ATOM 111 CB GLN A 242 3.090 5.593 -1.676 1.00 15.00 C ATOM 112 CG GLN A 242 2.139 6.284 -0.709 1.00 15.00 C ATOM 113 CD GLN A 242 2.750 7.508 -0.054 1.00 15.00 C ATOM 114 OE1 GLN A 242 3.600 8.180 -0.636 1.00 15.00 O ATOM 115 NE2 GLN A 242 2.316 7.804 1.160 1.00 15.00 N ATOM 0 H GLN A 242 4.185 4.269 -3.565 1.00 15.00 H new ATOM 0 HA GLN A 242 2.154 3.681 -1.550 1.00 15.00 H new ATOM 0 HB2 GLN A 242 3.996 5.308 -1.141 1.00 15.00 H new ATOM 0 HB3 GLN A 242 3.386 6.301 -2.450 1.00 15.00 H new ATOM 0 HG2 GLN A 242 1.235 6.577 -1.243 1.00 15.00 H new ATOM 0 HG3 GLN A 242 1.837 5.577 0.064 1.00 15.00 H new ATOM 0 HE21 GLN A 242 1.609 7.219 1.606 1.00 15.00 H new ATOM 0 HE22 GLN A 242 2.688 8.617 1.650 1.00 15.00 H new ATOM 124 N ARG A 243 0.269 3.942 -3.157 1.00 15.00 N ATOM 125 CA ARG A 243 -0.877 4.156 -4.015 1.00 15.00 C ATOM 126 C ARG A 243 -1.923 5.007 -3.316 1.00 15.00 C ATOM 127 O ARG A 243 -2.326 4.726 -2.190 1.00 15.00 O ATOM 128 CB ARG A 243 -1.480 2.828 -4.466 1.00 15.00 C ATOM 129 CG ARG A 243 -2.588 3.017 -5.483 1.00 15.00 C ATOM 130 CD ARG A 243 -2.624 1.892 -6.497 1.00 15.00 C ATOM 131 NE ARG A 243 -3.040 2.361 -7.823 1.00 15.00 N ATOM 132 CZ ARG A 243 -4.269 2.770 -8.135 1.00 15.00 C ATOM 133 NH1 ARG A 243 -5.249 2.705 -7.248 1.00 15.00 N1+ ATOM 134 NH2 ARG A 243 -4.525 3.219 -9.359 1.00 15.00 N ATOM 0 H ARG A 243 0.187 3.145 -2.526 1.00 15.00 H new ATOM 0 HA ARG A 243 -0.535 4.691 -4.901 1.00 15.00 H new ATOM 0 HB2 ARG A 243 -0.697 2.203 -4.896 1.00 15.00 H new ATOM 0 HB3 ARG A 243 -1.872 2.296 -3.599 1.00 15.00 H new ATOM 0 HG2 ARG A 243 -3.547 3.072 -4.968 1.00 15.00 H new ATOM 0 HG3 ARG A 243 -2.448 3.967 -6.000 1.00 15.00 H new ATOM 0 HD2 ARG A 243 -1.637 1.435 -6.567 1.00 15.00 H new ATOM 0 HD3 ARG A 243 -3.310 1.117 -6.155 1.00 15.00 H new ATOM 0 HE ARG A 243 -2.336 2.375 -8.561 1.00 15.00 H new ATOM 0 HH11 ARG A 243 -5.068 2.339 -6.313 1.00 15.00 H new ATOM 0 HH12 ARG A 243 -6.186 3.021 -7.499 1.00 15.00 H new ATOM 0 HH21 ARG A 243 -3.782 3.250 -10.057 1.00 15.00 H new ATOM 0 HH22 ARG A 243 -5.465 3.533 -9.601 1.00 15.00 H new ATOM 148 N THR A 244 -2.372 6.033 -4.012 1.00 15.00 N ATOM 149 CA THR A 244 -3.325 6.972 -3.467 1.00 15.00 C ATOM 150 C THR A 244 -4.597 6.977 -4.308 1.00 15.00 C ATOM 151 O THR A 244 -4.590 7.419 -5.459 1.00 15.00 O ATOM 152 CB THR A 244 -2.730 8.394 -3.431 1.00 15.00 C ATOM 153 OG1 THR A 244 -1.420 8.356 -2.848 1.00 15.00 O ATOM 154 CG2 THR A 244 -3.619 9.338 -2.631 1.00 15.00 C ATOM 0 H THR A 244 -2.085 6.237 -4.969 1.00 15.00 H new ATOM 0 HA THR A 244 -3.563 6.662 -2.449 1.00 15.00 H new ATOM 0 HB THR A 244 -2.667 8.765 -4.454 1.00 15.00 H new ATOM 0 HG1 THR A 244 -1.044 9.261 -2.828 1.00 15.00 H new ATOM 0 HG21 THR A 244 -3.176 10.334 -2.621 1.00 15.00 H new ATOM 0 HG22 THR A 244 -4.607 9.384 -3.090 1.00 15.00 H new ATOM 0 HG23 THR A 244 -3.711 8.972 -1.608 1.00 15.00 H new ATOM 162 N THR A 245 -5.673 6.463 -3.744 1.00 15.00 N ATOM 163 CA THR A 245 -6.957 6.475 -4.419 1.00 15.00 C ATOM 164 C THR A 245 -7.714 7.753 -4.067 1.00 15.00 C ATOM 165 O THR A 245 -7.500 8.328 -3.000 1.00 15.00 O ATOM 166 CB THR A 245 -7.800 5.210 -4.098 1.00 15.00 C ATOM 167 OG1 THR A 245 -9.167 5.406 -4.476 1.00 15.00 O ATOM 168 CG2 THR A 245 -7.734 4.822 -2.627 1.00 15.00 C ATOM 0 H THR A 245 -5.684 6.032 -2.820 1.00 15.00 H new ATOM 0 HA THR A 245 -6.774 6.457 -5.493 1.00 15.00 H new ATOM 0 HB THR A 245 -7.368 4.395 -4.678 1.00 15.00 H new ATOM 0 HG1 THR A 245 -9.683 4.599 -4.268 1.00 15.00 H new ATOM 0 HG21 THR A 245 -8.340 3.932 -2.458 1.00 15.00 H new ATOM 0 HG22 THR A 245 -6.700 4.614 -2.352 1.00 15.00 H new ATOM 0 HG23 THR A 245 -8.114 5.641 -2.017 1.00 15.00 H new ATOM 176 N VAL A 246 -8.554 8.222 -4.994 1.00 15.00 N ATOM 177 CA VAL A 246 -9.348 9.442 -4.796 1.00 15.00 C ATOM 178 C VAL A 246 -10.180 9.342 -3.516 1.00 15.00 C ATOM 179 O VAL A 246 -10.654 10.343 -2.972 1.00 15.00 O ATOM 180 CB VAL A 246 -10.279 9.695 -6.003 1.00 15.00 C ATOM 181 CG1 VAL A 246 -11.030 11.011 -5.856 1.00 15.00 C ATOM 182 CG2 VAL A 246 -9.480 9.680 -7.296 1.00 15.00 C ATOM 0 H VAL A 246 -8.704 7.772 -5.897 1.00 15.00 H new ATOM 0 HA VAL A 246 -8.655 10.279 -4.705 1.00 15.00 H new ATOM 0 HB VAL A 246 -11.016 8.893 -6.034 1.00 15.00 H new ATOM 0 HG11 VAL A 246 -11.676 11.160 -6.721 1.00 15.00 H new ATOM 0 HG12 VAL A 246 -11.636 10.985 -4.950 1.00 15.00 H new ATOM 0 HG13 VAL A 246 -10.316 11.832 -5.791 1.00 15.00 H new ATOM 0 HG21 VAL A 246 -10.148 9.859 -8.139 1.00 15.00 H new ATOM 0 HG22 VAL A 246 -8.720 10.460 -7.263 1.00 15.00 H new ATOM 0 HG23 VAL A 246 -8.999 8.709 -7.415 1.00 15.00 H new ATOM 192 N GLN A 247 -10.339 8.110 -3.050 1.00 15.00 N ATOM 193 CA GLN A 247 -10.932 7.814 -1.755 1.00 15.00 C ATOM 194 C GLN A 247 -10.286 8.648 -0.638 1.00 15.00 C ATOM 195 O GLN A 247 -10.919 8.947 0.376 1.00 15.00 O ATOM 196 CB GLN A 247 -10.735 6.329 -1.478 1.00 15.00 C ATOM 197 CG GLN A 247 -11.131 5.881 -0.091 1.00 15.00 C ATOM 198 CD GLN A 247 -12.632 5.751 0.078 1.00 15.00 C ATOM 199 OE1 GLN A 247 -13.326 6.721 0.393 1.00 15.00 O ATOM 200 NE2 GLN A 247 -13.136 4.540 -0.086 1.00 15.00 N ATOM 0 H GLN A 247 -10.056 7.279 -3.568 1.00 15.00 H new ATOM 0 HA GLN A 247 -11.992 8.067 -1.776 1.00 15.00 H new ATOM 0 HB2 GLN A 247 -11.312 5.759 -2.206 1.00 15.00 H new ATOM 0 HB3 GLN A 247 -9.686 6.081 -1.638 1.00 15.00 H new ATOM 0 HG2 GLN A 247 -10.661 4.921 0.124 1.00 15.00 H new ATOM 0 HG3 GLN A 247 -10.748 6.594 0.639 1.00 15.00 H new ATOM 0 HE21 GLN A 247 -12.526 3.765 -0.347 1.00 15.00 H new ATOM 0 HE22 GLN A 247 -14.134 4.381 0.048 1.00 15.00 H new ATOM 209 N GLY A 248 -9.020 8.997 -0.822 1.00 15.00 N ATOM 210 CA GLY A 248 -8.331 9.827 0.141 1.00 15.00 C ATOM 211 C GLY A 248 -7.250 9.066 0.876 1.00 15.00 C ATOM 212 O GLY A 248 -6.291 9.656 1.371 1.00 15.00 O ATOM 0 H GLY A 248 -8.457 8.718 -1.626 1.00 15.00 H new ATOM 0 HA2 GLY A 248 -7.889 10.683 -0.369 1.00 15.00 H new ATOM 0 HA3 GLY A 248 -9.050 10.221 0.860 1.00 15.00 H new ATOM 216 N GLN A 249 -7.394 7.752 0.932 1.00 15.00 N ATOM 217 CA GLN A 249 -6.460 6.911 1.667 1.00 15.00 C ATOM 218 C GLN A 249 -5.309 6.457 0.781 1.00 15.00 C ATOM 219 O GLN A 249 -5.469 6.263 -0.427 1.00 15.00 O ATOM 220 CB GLN A 249 -7.172 5.681 2.237 1.00 15.00 C ATOM 221 CG GLN A 249 -7.982 5.937 3.500 1.00 15.00 C ATOM 222 CD GLN A 249 -9.214 6.787 3.267 1.00 15.00 C ATOM 223 OE1 GLN A 249 -9.176 8.012 3.396 1.00 15.00 O ATOM 224 NE2 GLN A 249 -10.315 6.143 2.921 1.00 15.00 N ATOM 0 H GLN A 249 -8.151 7.242 0.476 1.00 15.00 H new ATOM 0 HA GLN A 249 -6.059 7.510 2.485 1.00 15.00 H new ATOM 0 HB2 GLN A 249 -7.836 5.277 1.473 1.00 15.00 H new ATOM 0 HB3 GLN A 249 -6.427 4.914 2.450 1.00 15.00 H new ATOM 0 HG2 GLN A 249 -8.285 4.981 3.927 1.00 15.00 H new ATOM 0 HG3 GLN A 249 -7.346 6.428 4.237 1.00 15.00 H new ATOM 0 HE21 GLN A 249 -10.303 5.128 2.825 1.00 15.00 H new ATOM 0 HE22 GLN A 249 -11.177 6.661 2.750 1.00 15.00 H new ATOM 233 N VAL A 250 -4.152 6.283 1.398 1.00 15.00 N ATOM 234 CA VAL A 250 -2.996 5.726 0.721 1.00 15.00 C ATOM 235 C VAL A 250 -2.779 4.285 1.174 1.00 15.00 C ATOM 236 O VAL A 250 -2.657 4.016 2.371 1.00 15.00 O ATOM 237 CB VAL A 250 -1.714 6.559 0.982 1.00 15.00 C ATOM 238 CG1 VAL A 250 -1.821 7.919 0.318 1.00 15.00 C ATOM 239 CG2 VAL A 250 -1.454 6.731 2.476 1.00 15.00 C ATOM 0 H VAL A 250 -3.989 6.523 2.376 1.00 15.00 H new ATOM 0 HA VAL A 250 -3.194 5.753 -0.351 1.00 15.00 H new ATOM 0 HB VAL A 250 -0.874 6.014 0.551 1.00 15.00 H new ATOM 0 HG11 VAL A 250 -0.913 8.491 0.511 1.00 15.00 H new ATOM 0 HG12 VAL A 250 -1.947 7.790 -0.757 1.00 15.00 H new ATOM 0 HG13 VAL A 250 -2.680 8.455 0.722 1.00 15.00 H new ATOM 0 HG21 VAL A 250 -0.548 7.319 2.622 1.00 15.00 H new ATOM 0 HG22 VAL A 250 -2.299 7.245 2.936 1.00 15.00 H new ATOM 0 HG23 VAL A 250 -1.329 5.752 2.939 1.00 15.00 H new ATOM 249 N TYR A 251 -2.763 3.353 0.233 1.00 15.00 N ATOM 250 CA TYR A 251 -2.529 1.962 0.579 1.00 15.00 C ATOM 251 C TYR A 251 -1.204 1.476 -0.012 1.00 15.00 C ATOM 252 O TYR A 251 -0.944 1.632 -1.207 1.00 15.00 O ATOM 253 CB TYR A 251 -3.733 1.060 0.199 1.00 15.00 C ATOM 254 CG TYR A 251 -4.236 1.092 -1.245 1.00 15.00 C ATOM 255 CD1 TYR A 251 -5.195 2.013 -1.671 1.00 15.00 C ATOM 256 CD2 TYR A 251 -3.808 0.139 -2.167 1.00 15.00 C ATOM 257 CE1 TYR A 251 -5.694 1.973 -2.963 1.00 15.00 C ATOM 258 CE2 TYR A 251 -4.292 0.103 -3.450 1.00 15.00 C ATOM 259 CZ TYR A 251 -5.238 1.016 -3.849 1.00 15.00 C ATOM 260 OH TYR A 251 -5.729 0.980 -5.138 1.00 15.00 O ATOM 0 H TYR A 251 -2.907 3.531 -0.761 1.00 15.00 H new ATOM 0 HA TYR A 251 -2.440 1.889 1.663 1.00 15.00 H new ATOM 0 HB2 TYR A 251 -3.464 0.030 0.435 1.00 15.00 H new ATOM 0 HB3 TYR A 251 -4.567 1.328 0.848 1.00 15.00 H new ATOM 0 HD1 TYR A 251 -5.552 2.766 -0.985 1.00 15.00 H new ATOM 0 HD2 TYR A 251 -3.074 -0.592 -1.863 1.00 15.00 H new ATOM 0 HE1 TYR A 251 -6.439 2.689 -3.277 1.00 15.00 H new ATOM 0 HE2 TYR A 251 -3.930 -0.641 -4.145 1.00 15.00 H new ATOM 0 HH TYR A 251 -5.205 0.346 -5.670 1.00 15.00 H new ATOM 270 N PHE A 252 -0.373 0.884 0.849 1.00 15.00 N ATOM 271 CA PHE A 252 0.991 0.507 0.485 1.00 15.00 C ATOM 272 C PHE A 252 1.044 -0.890 -0.080 1.00 15.00 C ATOM 273 O PHE A 252 0.840 -1.870 0.643 1.00 15.00 O ATOM 274 CB PHE A 252 1.917 0.571 1.702 1.00 15.00 C ATOM 275 CG PHE A 252 2.366 1.969 2.035 1.00 15.00 C ATOM 276 CD1 PHE A 252 2.022 2.570 3.239 1.00 15.00 C ATOM 277 CD2 PHE A 252 3.117 2.692 1.126 1.00 15.00 C ATOM 278 CE1 PHE A 252 2.420 3.862 3.523 1.00 15.00 C ATOM 279 CE2 PHE A 252 3.522 3.980 1.409 1.00 15.00 C ATOM 280 CZ PHE A 252 3.172 4.566 2.606 1.00 15.00 C ATOM 0 H PHE A 252 -0.626 0.655 1.810 1.00 15.00 H new ATOM 0 HA PHE A 252 1.323 1.216 -0.273 1.00 15.00 H new ATOM 0 HB2 PHE A 252 1.402 0.147 2.564 1.00 15.00 H new ATOM 0 HB3 PHE A 252 2.793 -0.050 1.516 1.00 15.00 H new ATOM 0 HD1 PHE A 252 1.437 2.021 3.962 1.00 15.00 H new ATOM 0 HD2 PHE A 252 3.390 2.242 0.183 1.00 15.00 H new ATOM 0 HE1 PHE A 252 2.143 4.320 4.461 1.00 15.00 H new ATOM 0 HE2 PHE A 252 4.114 4.529 0.692 1.00 15.00 H new ATOM 0 HZ PHE A 252 3.486 5.576 2.826 1.00 15.00 H new ATOM 290 N LEU A 253 1.313 -0.977 -1.373 1.00 15.00 N ATOM 291 CA LEU A 253 1.353 -2.259 -2.050 1.00 15.00 C ATOM 292 C LEU A 253 2.738 -2.679 -2.481 1.00 15.00 C ATOM 293 O LEU A 253 3.513 -1.920 -3.061 1.00 15.00 O ATOM 294 CB LEU A 253 0.359 -2.327 -3.214 1.00 15.00 C ATOM 295 CG LEU A 253 -1.019 -2.862 -2.818 1.00 15.00 C ATOM 296 CD1 LEU A 253 -1.049 -4.357 -3.059 1.00 15.00 C ATOM 297 CD2 LEU A 253 -1.299 -2.540 -1.360 1.00 15.00 C ATOM 0 H LEU A 253 1.506 -0.175 -1.972 1.00 15.00 H new ATOM 0 HA LEU A 253 1.041 -2.986 -1.301 1.00 15.00 H new ATOM 0 HB2 LEU A 253 0.243 -1.330 -3.639 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.774 -2.962 -3.997 1.00 15.00 H new ATOM 0 HG LEU A 253 -1.794 -2.389 -3.421 1.00 15.00 H new ATOM 0 HD11 LEU A 253 -2.026 -4.751 -2.781 1.00 15.00 H new ATOM 0 HD12 LEU A 253 -0.863 -4.559 -4.114 1.00 15.00 H new ATOM 0 HD13 LEU A 253 -0.279 -4.838 -2.456 1.00 15.00 H new ATOM 0 HD21 LEU A 253 -2.281 -2.924 -1.085 1.00 15.00 H new ATOM 0 HD22 LEU A 253 -0.539 -3.005 -0.732 1.00 15.00 H new ATOM 0 HD23 LEU A 253 -1.278 -1.460 -1.215 1.00 15.00 H new ATOM 309 N HIS A 254 2.998 -3.936 -2.190 1.00 15.00 N ATOM 310 CA HIS A 254 4.240 -4.605 -2.516 1.00 15.00 C ATOM 311 C HIS A 254 3.938 -6.043 -2.805 1.00 15.00 C ATOM 312 O HIS A 254 3.719 -6.819 -1.875 1.00 15.00 O ATOM 313 CB HIS A 254 5.225 -4.556 -1.348 1.00 15.00 C ATOM 314 CG HIS A 254 6.398 -5.496 -1.474 1.00 15.00 C ATOM 315 ND1 HIS A 254 6.469 -6.705 -0.805 1.00 15.00 N ATOM 316 CD2 HIS A 254 7.527 -5.418 -2.215 1.00 15.00 C ATOM 317 CE1 HIS A 254 7.584 -7.329 -1.143 1.00 15.00 C ATOM 318 NE2 HIS A 254 8.244 -6.567 -1.994 1.00 15.00 N ATOM 0 H HIS A 254 2.332 -4.538 -1.706 1.00 15.00 H new ATOM 0 HA HIS A 254 4.687 -4.103 -3.374 1.00 15.00 H new ATOM 0 HB2 HIS A 254 5.601 -3.538 -1.250 1.00 15.00 H new ATOM 0 HB3 HIS A 254 4.688 -4.787 -0.428 1.00 15.00 H new ATOM 0 HD2 HIS A 254 7.812 -4.601 -2.862 1.00 15.00 H new ATOM 0 HE1 HIS A 254 7.901 -8.297 -0.784 1.00 15.00 H new ATOM 0 HE2 HIS A 254 9.143 -6.795 -2.419 1.00 15.00 H new ATOM 327 N THR A 255 3.897 -6.441 -4.046 1.00 15.00 N ATOM 328 CA THR A 255 3.636 -7.837 -4.252 1.00 15.00 C ATOM 329 C THR A 255 4.908 -8.590 -4.606 1.00 15.00 C ATOM 330 O THR A 255 5.301 -8.730 -5.761 1.00 15.00 O ATOM 331 CB THR A 255 2.533 -8.069 -5.316 1.00 15.00 C ATOM 332 OG1 THR A 255 2.412 -9.466 -5.610 1.00 15.00 O ATOM 333 CG2 THR A 255 2.803 -7.286 -6.596 1.00 15.00 C ATOM 0 H THR A 255 4.030 -5.866 -4.878 1.00 15.00 H new ATOM 0 HA THR A 255 3.263 -8.235 -3.309 1.00 15.00 H new ATOM 0 HB THR A 255 1.594 -7.705 -4.898 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.711 -9.599 -6.282 1.00 15.00 H new ATOM 0 HG21 THR A 255 2.006 -7.477 -7.315 1.00 15.00 H new ATOM 0 HG22 THR A 255 2.839 -6.220 -6.370 1.00 15.00 H new ATOM 0 HG23 THR A 255 3.757 -7.600 -7.020 1.00 15.00 H new ATOM 341 N GLN A 256 5.567 -9.023 -3.547 1.00 15.00 N ATOM 342 CA GLN A 256 6.339 -10.241 -3.528 1.00 15.00 C ATOM 343 C GLN A 256 5.480 -11.276 -2.832 1.00 15.00 C ATOM 344 O GLN A 256 5.260 -12.382 -3.316 1.00 15.00 O ATOM 345 CB GLN A 256 7.664 -10.058 -2.784 1.00 15.00 C ATOM 346 CG GLN A 256 8.509 -11.318 -2.738 1.00 15.00 C ATOM 347 CD GLN A 256 9.714 -11.206 -1.818 1.00 15.00 C ATOM 348 OE1 GLN A 256 10.131 -12.191 -1.215 1.00 15.00 O ATOM 349 NE2 GLN A 256 10.301 -10.023 -1.726 1.00 15.00 N ATOM 0 H GLN A 256 5.577 -8.522 -2.658 1.00 15.00 H new ATOM 0 HA GLN A 256 6.597 -10.546 -4.542 1.00 15.00 H new ATOM 0 HB2 GLN A 256 8.235 -9.264 -3.265 1.00 15.00 H new ATOM 0 HB3 GLN A 256 7.458 -9.730 -1.765 1.00 15.00 H new ATOM 0 HG2 GLN A 256 7.887 -12.151 -2.410 1.00 15.00 H new ATOM 0 HG3 GLN A 256 8.852 -11.553 -3.746 1.00 15.00 H new ATOM 0 HE21 GLN A 256 9.927 -9.226 -2.242 1.00 15.00 H new ATOM 0 HE22 GLN A 256 11.128 -9.908 -1.140 1.00 15.00 H new ATOM 358 N THR A 257 4.996 -10.855 -1.663 1.00 15.00 N ATOM 359 CA THR A 257 4.188 -11.678 -0.796 1.00 15.00 C ATOM 360 C THR A 257 2.805 -11.102 -0.627 1.00 15.00 C ATOM 361 O THR A 257 2.094 -11.329 0.355 1.00 15.00 O ATOM 362 CB THR A 257 4.829 -11.771 0.565 1.00 15.00 C ATOM 363 OG1 THR A 257 5.094 -10.451 1.065 1.00 15.00 O ATOM 364 CG2 THR A 257 6.127 -12.561 0.517 1.00 15.00 C ATOM 0 H THR A 257 5.163 -9.918 -1.297 1.00 15.00 H new ATOM 0 HA THR A 257 4.113 -12.664 -1.254 1.00 15.00 H new ATOM 0 HB THR A 257 4.137 -12.292 1.227 1.00 15.00 H new ATOM 0 HG1 THR A 257 5.509 -10.514 1.951 1.00 15.00 H new ATOM 0 HG21 THR A 257 6.562 -12.608 1.516 1.00 15.00 H new ATOM 0 HG22 THR A 257 5.925 -13.571 0.161 1.00 15.00 H new ATOM 0 HG23 THR A 257 6.826 -12.071 -0.160 1.00 15.00 H new ATOM 372 N GLY A 258 2.469 -10.406 -1.643 1.00 15.00 N ATOM 373 CA GLY A 258 1.204 -9.689 -1.751 1.00 15.00 C ATOM 374 C GLY A 258 0.905 -8.779 -0.566 1.00 15.00 C ATOM 375 O GLY A 258 0.033 -9.083 0.245 1.00 15.00 O ATOM 0 H GLY A 258 3.067 -10.299 -2.463 1.00 15.00 H new ATOM 0 HA2 GLY A 258 1.214 -9.091 -2.662 1.00 15.00 H new ATOM 0 HA3 GLY A 258 0.395 -10.413 -1.853 1.00 15.00 H new ATOM 379 N VAL A 259 1.621 -7.665 -0.455 1.00 15.00 N ATOM 380 CA VAL A 259 1.356 -6.708 0.619 1.00 15.00 C ATOM 381 C VAL A 259 0.342 -5.672 0.208 1.00 15.00 C ATOM 382 O VAL A 259 0.591 -4.870 -0.684 1.00 15.00 O ATOM 383 CB VAL A 259 2.628 -5.989 1.134 1.00 15.00 C ATOM 384 CG1 VAL A 259 2.269 -4.827 2.051 1.00 15.00 C ATOM 385 CG2 VAL A 259 3.464 -6.988 1.886 1.00 15.00 C ATOM 0 H VAL A 259 2.379 -7.403 -1.085 1.00 15.00 H new ATOM 0 HA VAL A 259 0.957 -7.310 1.436 1.00 15.00 H new ATOM 0 HB VAL A 259 3.180 -5.586 0.285 1.00 15.00 H new ATOM 0 HG11 VAL A 259 3.181 -4.341 2.397 1.00 15.00 H new ATOM 0 HG12 VAL A 259 1.660 -4.107 1.505 1.00 15.00 H new ATOM 0 HG13 VAL A 259 1.709 -5.200 2.908 1.00 15.00 H new ATOM 0 HG21 VAL A 259 4.366 -6.501 2.258 1.00 15.00 H new ATOM 0 HG22 VAL A 259 2.892 -7.382 2.726 1.00 15.00 H new ATOM 0 HG23 VAL A 259 3.741 -7.805 1.220 1.00 15.00 H new ATOM 395 N SER A 260 -0.788 -5.709 0.884 1.00 15.00 N ATOM 396 CA SER A 260 -1.807 -4.670 0.769 1.00 15.00 C ATOM 397 C SER A 260 -2.168 -4.176 2.161 1.00 15.00 C ATOM 398 O SER A 260 -2.911 -4.830 2.891 1.00 15.00 O ATOM 399 CB SER A 260 -3.059 -5.146 -0.003 1.00 15.00 C ATOM 400 OG SER A 260 -3.448 -6.455 0.388 1.00 15.00 O ATOM 0 H SER A 260 -1.032 -6.459 1.531 1.00 15.00 H new ATOM 0 HA SER A 260 -1.394 -3.848 0.184 1.00 15.00 H new ATOM 0 HB2 SER A 260 -3.882 -4.453 0.174 1.00 15.00 H new ATOM 0 HB3 SER A 260 -2.855 -5.131 -1.074 1.00 15.00 H new ATOM 0 HG SER A 260 -3.432 -6.523 1.366 1.00 15.00 H new ATOM 406 N THR A 261 -1.604 -3.037 2.541 1.00 15.00 N ATOM 407 CA THR A 261 -1.658 -2.601 3.936 1.00 15.00 C ATOM 408 C THR A 261 -1.865 -1.094 4.089 1.00 15.00 C ATOM 409 O THR A 261 -1.467 -0.306 3.227 1.00 15.00 O ATOM 410 CB THR A 261 -0.374 -3.003 4.697 1.00 15.00 C ATOM 411 OG1 THR A 261 0.787 -2.615 3.953 1.00 15.00 O ATOM 412 CG2 THR A 261 -0.332 -4.500 4.966 1.00 15.00 C ATOM 0 H THR A 261 -1.109 -2.403 1.914 1.00 15.00 H new ATOM 0 HA THR A 261 -2.524 -3.107 4.363 1.00 15.00 H new ATOM 0 HB THR A 261 -0.383 -2.483 5.655 1.00 15.00 H new ATOM 0 HG1 THR A 261 1.593 -2.874 4.446 1.00 15.00 H new ATOM 0 HG21 THR A 261 0.584 -4.748 5.502 1.00 15.00 H new ATOM 0 HG22 THR A 261 -1.194 -4.786 5.569 1.00 15.00 H new ATOM 0 HG23 THR A 261 -0.356 -5.041 4.020 1.00 15.00 H new ATOM 420 N TRP A 262 -2.515 -0.717 5.189 1.00 15.00 N ATOM 421 CA TRP A 262 -2.671 0.684 5.570 1.00 15.00 C ATOM 422 C TRP A 262 -1.351 1.286 6.034 1.00 15.00 C ATOM 423 O TRP A 262 -1.028 2.434 5.724 1.00 15.00 O ATOM 424 CB TRP A 262 -3.678 0.832 6.719 1.00 15.00 C ATOM 425 CG TRP A 262 -5.118 0.815 6.314 1.00 15.00 C ATOM 426 CD1 TRP A 262 -6.148 0.211 6.979 1.00 15.00 C ATOM 427 CD2 TRP A 262 -5.694 1.432 5.163 1.00 15.00 C ATOM 428 NE1 TRP A 262 -7.325 0.439 6.329 1.00 15.00 N ATOM 429 CE2 TRP A 262 -7.074 1.178 5.210 1.00 15.00 C ATOM 430 CE3 TRP A 262 -5.183 2.179 4.098 1.00 15.00 C ATOM 431 CZ2 TRP A 262 -7.942 1.642 4.244 1.00 15.00 C ATOM 432 CZ3 TRP A 262 -6.056 2.634 3.131 1.00 15.00 C ATOM 433 CH2 TRP A 262 -7.426 2.360 3.217 1.00 15.00 C ATOM 0 H TRP A 262 -2.947 -1.373 5.839 1.00 15.00 H new ATOM 0 HA TRP A 262 -3.026 1.208 4.683 1.00 15.00 H new ATOM 0 HB2 TRP A 262 -3.509 0.027 7.434 1.00 15.00 H new ATOM 0 HB3 TRP A 262 -3.475 1.768 7.240 1.00 15.00 H new ATOM 0 HD1 TRP A 262 -6.045 -0.364 7.888 1.00 15.00 H new ATOM 0 HE1 TRP A 262 -8.243 0.111 6.630 1.00 15.00 H new ATOM 0 HE3 TRP A 262 -4.127 2.396 4.033 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 -9.001 1.439 4.304 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 -5.678 3.208 2.298 1.00 15.00 H new ATOM 0 HH2 TRP A 262 -8.087 2.729 2.447 1.00 15.00 H new ATOM 444 N HIS A 263 -0.618 0.519 6.825 1.00 15.00 N ATOM 445 CA HIS A 263 0.576 1.026 7.489 1.00 15.00 C ATOM 446 C HIS A 263 1.750 1.141 6.525 1.00 15.00 C ATOM 447 O HIS A 263 1.969 0.263 5.687 1.00 15.00 O ATOM 448 CB HIS A 263 0.954 0.127 8.684 1.00 15.00 C ATOM 449 CG HIS A 263 1.734 -1.114 8.329 1.00 15.00 C ATOM 450 ND1 HIS A 263 3.101 -1.208 8.488 1.00 15.00 N ATOM 451 CD2 HIS A 263 1.337 -2.314 7.837 1.00 15.00 C ATOM 452 CE1 HIS A 263 3.508 -2.404 8.111 1.00 15.00 C ATOM 453 NE2 HIS A 263 2.461 -3.096 7.710 1.00 15.00 N ATOM 0 H HIS A 263 -0.828 -0.459 7.024 1.00 15.00 H new ATOM 0 HA HIS A 263 0.346 2.026 7.856 1.00 15.00 H new ATOM 0 HB2 HIS A 263 1.539 0.715 9.391 1.00 15.00 H new ATOM 0 HB3 HIS A 263 0.040 -0.171 9.198 1.00 15.00 H new ATOM 0 HD1 HIS A 263 3.704 -0.466 8.843 1.00 15.00 H new ATOM 0 HD2 HIS A 263 0.326 -2.602 7.591 1.00 15.00 H new ATOM 0 HE1 HIS A 263 4.528 -2.757 8.128 1.00 15.00 H new ATOM 462 N ASP A 264 2.503 2.228 6.661 1.00 15.00 N ATOM 463 CA ASP A 264 3.790 2.365 5.985 1.00 15.00 C ATOM 464 C ASP A 264 4.647 1.156 6.341 1.00 15.00 C ATOM 465 O ASP A 264 4.785 0.809 7.508 1.00 15.00 O ATOM 466 CB ASP A 264 4.461 3.680 6.423 1.00 15.00 C ATOM 467 CG ASP A 264 5.791 3.973 5.738 1.00 15.00 C ATOM 468 OD1 ASP A 264 6.174 5.162 5.671 1.00 15.00 O ATOM 469 OD2 ASP A 264 6.464 3.034 5.283 1.00 15.00 O1- ATOM 0 H ASP A 264 2.243 3.030 7.235 1.00 15.00 H new ATOM 0 HA ASP A 264 3.661 2.402 4.903 1.00 15.00 H new ATOM 0 HB2 ASP A 264 3.776 4.505 6.226 1.00 15.00 H new ATOM 0 HB3 ASP A 264 4.621 3.649 7.501 1.00 15.00 H new ATOM 474 N PRO A 265 5.196 0.461 5.354 1.00 15.00 N ATOM 475 CA PRO A 265 5.983 -0.738 5.609 1.00 15.00 C ATOM 476 C PRO A 265 7.349 -0.435 6.176 1.00 15.00 C ATOM 477 O PRO A 265 8.035 -1.319 6.690 1.00 15.00 O ATOM 478 CB PRO A 265 6.088 -1.387 4.238 1.00 15.00 C ATOM 479 CG PRO A 265 5.990 -0.248 3.278 1.00 15.00 C ATOM 480 CD PRO A 265 5.086 0.767 3.917 1.00 15.00 C ATOM 0 HA PRO A 265 5.519 -1.377 6.360 1.00 15.00 H new ATOM 0 HB2 PRO A 265 7.030 -1.923 4.123 1.00 15.00 H new ATOM 0 HB3 PRO A 265 5.288 -2.110 4.079 1.00 15.00 H new ATOM 0 HG2 PRO A 265 6.973 0.178 3.079 1.00 15.00 H new ATOM 0 HG3 PRO A 265 5.587 -0.580 2.321 1.00 15.00 H new ATOM 0 HD2 PRO A 265 5.406 1.786 3.697 1.00 15.00 H new ATOM 0 HD3 PRO A 265 4.060 0.671 3.563 1.00 15.00 H new ATOM 488 N ARG A 266 7.740 0.811 6.073 1.00 15.00 N ATOM 489 CA ARG A 266 8.983 1.271 6.639 1.00 15.00 C ATOM 490 C ARG A 266 8.772 1.549 8.108 1.00 15.00 C ATOM 491 O ARG A 266 9.702 1.866 8.850 1.00 15.00 O ATOM 492 CB ARG A 266 9.401 2.528 5.920 1.00 15.00 C ATOM 493 CG ARG A 266 10.837 2.941 6.180 1.00 15.00 C ATOM 494 CD ARG A 266 11.828 1.882 5.738 1.00 15.00 C ATOM 495 NE ARG A 266 13.128 2.069 6.380 1.00 15.00 N ATOM 496 CZ ARG A 266 14.250 1.455 6.007 1.00 15.00 C ATOM 497 NH1 ARG A 266 14.249 0.623 4.974 1.00 15.00 N1+ ATOM 498 NH2 ARG A 266 15.373 1.667 6.679 1.00 15.00 N ATOM 0 H ARG A 266 7.205 1.535 5.594 1.00 15.00 H new ATOM 0 HA ARG A 266 9.764 0.518 6.528 1.00 15.00 H new ATOM 0 HB2 ARG A 266 9.264 2.384 4.848 1.00 15.00 H new ATOM 0 HB3 ARG A 266 8.740 3.342 6.219 1.00 15.00 H new ATOM 0 HG2 ARG A 266 11.046 3.873 5.655 1.00 15.00 H new ATOM 0 HG3 ARG A 266 10.969 3.138 7.244 1.00 15.00 H new ATOM 0 HD2 ARG A 266 11.439 0.893 5.981 1.00 15.00 H new ATOM 0 HD3 ARG A 266 11.946 1.921 4.655 1.00 15.00 H new ATOM 0 HE ARG A 266 13.180 2.714 7.168 1.00 15.00 H new ATOM 0 HH11 ARG A 266 13.385 0.450 4.460 1.00 15.00 H new ATOM 0 HH12 ARG A 266 15.112 0.156 4.694 1.00 15.00 H new ATOM 0 HH21 ARG A 266 15.377 2.299 7.480 1.00 15.00 H new ATOM 0 HH22 ARG A 266 16.233 1.198 6.395 1.00 15.00 H new ATOM 512 N ILE A 267 7.523 1.436 8.497 1.00 15.00 N ATOM 513 CA ILE A 267 7.134 1.620 9.897 1.00 15.00 C ATOM 514 C ILE A 267 7.752 0.524 10.763 1.00 15.00 C ATOM 515 O ILE A 267 8.630 0.841 11.595 1.00 15.00 O ATOM 516 CB ILE A 267 5.596 1.631 10.102 1.00 15.00 C ATOM 517 CG1 ILE A 267 4.970 2.890 9.486 1.00 15.00 C ATOM 518 CG2 ILE A 267 5.242 1.531 11.582 1.00 15.00 C ATOM 519 CD1 ILE A 267 5.550 4.184 10.007 1.00 15.00 C ATOM 520 OXT ILE A 267 7.385 -0.655 10.584 1.00 15.00 O ATOM 0 H ILE A 267 6.749 1.217 7.870 1.00 15.00 H new ATOM 0 HA ILE A 267 7.510 2.598 10.197 1.00 15.00 H new ATOM 0 HB ILE A 267 5.186 0.759 9.592 1.00 15.00 H new ATOM 0 HG12 ILE A 267 5.100 2.855 8.404 1.00 15.00 H new ATOM 0 HG13 ILE A 267 3.897 2.881 9.679 1.00 15.00 H new ATOM 0 HG21 ILE A 267 4.158 1.541 11.698 1.00 15.00 H new ATOM 0 HG22 ILE A 267 5.642 0.603 11.990 1.00 15.00 H new ATOM 0 HG23 ILE A 267 5.672 2.378 12.117 1.00 15.00 H new ATOM 0 HD11 ILE A 267 5.055 5.026 9.523 1.00 15.00 H new ATOM 0 HD12 ILE A 267 5.397 4.244 11.085 1.00 15.00 H new ATOM 0 HD13 ILE A 267 6.618 4.218 9.790 1.00 15.00 H new TER 532 ILE A 267 ATOM 533 N THR B 208 1.808 2.892 -9.554 1.00 15.00 N ATOM 534 CA THR B 208 0.397 3.322 -9.460 1.00 15.00 C ATOM 535 C THR B 208 -0.548 2.227 -9.943 1.00 15.00 C ATOM 536 O THR B 208 -1.701 2.502 -10.283 1.00 15.00 O ATOM 537 CB THR B 208 0.158 4.602 -10.281 1.00 15.00 C ATOM 538 OG1 THR B 208 0.788 4.484 -11.564 1.00 15.00 O ATOM 539 CG2 THR B 208 0.698 5.822 -9.554 1.00 15.00 C ATOM 0 HA THR B 208 0.190 3.526 -8.409 1.00 15.00 H new ATOM 0 HB THR B 208 -0.917 4.727 -10.414 1.00 15.00 H new ATOM 0 HG1 THR B 208 1.615 3.966 -11.476 1.00 15.00 H new ATOM 0 HG21 THR B 208 0.517 6.713 -10.155 1.00 15.00 H new ATOM 0 HG22 THR B 208 0.196 5.924 -8.592 1.00 15.00 H new ATOM 0 HG23 THR B 208 1.770 5.705 -9.393 1.00 15.00 H new ATOM 549 N SER B 209 -0.077 0.987 -9.941 1.00 15.00 N ATOM 550 CA SER B 209 -0.872 -0.128 -10.428 1.00 15.00 C ATOM 551 C SER B 209 -1.044 -1.175 -9.338 1.00 15.00 C ATOM 552 O SER B 209 -0.066 -1.751 -8.861 1.00 15.00 O ATOM 553 CB SER B 209 -0.210 -0.747 -11.659 1.00 15.00 C ATOM 554 OG SER B 209 0.001 0.232 -12.666 1.00 15.00 O ATOM 0 H SER B 209 0.852 0.730 -9.607 1.00 15.00 H new ATOM 0 HA SER B 209 -1.858 0.243 -10.708 1.00 15.00 H new ATOM 0 HB2 SER B 209 0.742 -1.196 -11.378 1.00 15.00 H new ATOM 0 HB3 SER B 209 -0.837 -1.548 -12.050 1.00 15.00 H new ATOM 0 HG SER B 209 0.427 -0.185 -13.444 1.00 15.00 H new HETATM 560 N SEP B 210 -2.280 -1.408 -8.941 1.00 15.00 N HETATM 561 CA SEP B 210 -2.574 -2.365 -7.895 1.00 15.00 C HETATM 562 CB SEP B 210 -3.177 -1.632 -6.682 1.00 15.00 C HETATM 563 OG SEP B 210 -4.100 -0.609 -7.068 1.00 15.00 O HETATM 564 C SEP B 210 -3.499 -3.469 -8.406 1.00 15.00 C HETATM 565 O SEP B 210 -4.070 -3.370 -9.494 1.00 15.00 O HETATM 566 P SEP B 210 -5.399 -0.812 -8.033 1.00 15.00 P HETATM 567 O1P SEP B 210 -6.355 0.259 -7.776 1.00 15.00 O HETATM 568 O2P SEP B 210 -4.962 -0.763 -9.435 1.00 15.00 O HETATM 569 O3P SEP B 210 -6.021 -2.090 -7.716 1.00 15.00 O HETATM 0 HB3 SEP B 210 -3.684 -2.353 -6.041 1.00 15.00 H new HETATM 0 HB2 SEP B 210 -2.374 -1.190 -6.092 1.00 15.00 H new HETATM 0 HA SEP B 210 -1.649 -2.848 -7.581 1.00 15.00 H new ATOM 574 N ASP B 211 -3.598 -4.540 -7.642 1.00 15.00 N ATOM 575 CA ASP B 211 -4.565 -5.592 -7.909 1.00 15.00 C ATOM 576 C ASP B 211 -5.567 -5.816 -6.743 1.00 15.00 C ATOM 577 O ASP B 211 -6.598 -6.453 -6.959 1.00 15.00 O ATOM 578 CB ASP B 211 -3.847 -6.907 -8.224 1.00 15.00 C ATOM 579 CG ASP B 211 -3.299 -7.587 -6.987 1.00 15.00 C ATOM 580 OD1 ASP B 211 -3.837 -8.651 -6.608 1.00 15.00 O ATOM 581 OD2 ASP B 211 -2.333 -7.067 -6.391 1.00 15.00 O1- ATOM 0 H ASP B 211 -3.014 -4.707 -6.822 1.00 15.00 H new ATOM 0 HA ASP B 211 -5.144 -5.261 -8.771 1.00 15.00 H new ATOM 0 HB2 ASP B 211 -4.539 -7.582 -8.728 1.00 15.00 H new ATOM 0 HB3 ASP B 211 -3.030 -6.712 -8.918 1.00 15.00 H new ATOM 586 N PRO B 212 -5.307 -5.339 -5.490 1.00 15.00 N ATOM 587 CA PRO B 212 -6.205 -5.565 -4.372 1.00 15.00 C ATOM 588 C PRO B 212 -7.231 -4.445 -4.240 1.00 15.00 C ATOM 589 O PRO B 212 -7.028 -3.335 -4.733 1.00 15.00 O ATOM 590 CB PRO B 212 -5.246 -5.562 -3.185 1.00 15.00 C ATOM 591 CG PRO B 212 -4.231 -4.593 -3.527 1.00 15.00 C ATOM 592 CD PRO B 212 -4.154 -4.536 -5.032 1.00 15.00 C ATOM 0 HA PRO B 212 -6.792 -6.478 -4.468 1.00 15.00 H new ATOM 0 HB2 PRO B 212 -5.759 -5.287 -2.264 1.00 15.00 H new ATOM 0 HB3 PRO B 212 -4.812 -6.549 -3.026 1.00 15.00 H new ATOM 0 HG2 PRO B 212 -4.481 -3.614 -3.118 1.00 15.00 H new ATOM 0 HG3 PRO B 212 -3.268 -4.879 -3.104 1.00 15.00 H new ATOM 0 HD2 PRO B 212 -4.216 -3.510 -5.394 1.00 15.00 H new ATOM 0 HD3 PRO B 212 -3.213 -4.947 -5.398 1.00 15.00 H new ATOM 600 N GLY B 213 -8.313 -4.722 -3.545 1.00 15.00 N ATOM 601 CA GLY B 213 -9.338 -3.730 -3.358 1.00 15.00 C ATOM 602 C GLY B 213 -9.056 -2.916 -2.119 1.00 15.00 C ATOM 603 O GLY B 213 -8.297 -3.356 -1.252 1.00 15.00 O ATOM 0 H GLY B 213 -8.501 -5.622 -3.104 1.00 15.00 H new ATOM 0 HA2 GLY B 213 -9.384 -3.076 -4.229 1.00 15.00 H new ATOM 0 HA3 GLY B 213 -10.311 -4.214 -3.270 1.00 15.00 H new HETATM 607 N SEP B 214 -9.650 -1.744 -2.019 1.00 15.00 N HETATM 608 CA SEP B 214 -9.281 -0.811 -0.973 1.00 15.00 C HETATM 609 CB SEP B 214 -9.484 0.635 -1.452 1.00 15.00 C HETATM 610 OG SEP B 214 -9.218 1.543 -0.426 1.00 15.00 O HETATM 611 C SEP B 214 -10.134 -1.083 0.264 1.00 15.00 C HETATM 612 O SEP B 214 -11.309 -1.447 0.157 1.00 15.00 O HETATM 613 P SEP B 214 -9.947 2.968 -0.337 1.00 15.00 P HETATM 614 O1P SEP B 214 -11.118 2.840 0.535 1.00 15.00 O HETATM 615 O2P SEP B 214 -8.995 3.941 0.200 1.00 15.00 O HETATM 616 O3P SEP B 214 -10.372 3.343 -1.700 1.00 15.00 O HETATM 0 HB3 SEP B 214 -8.829 0.836 -2.300 1.00 15.00 H new HETATM 0 HB2 SEP B 214 -10.508 0.766 -1.802 1.00 15.00 H new HETATM 0 HA SEP B 214 -8.228 -0.944 -0.724 1.00 15.00 H new HETATM 0 H SEP B 214 -9.987 -1.396 -2.917 1.00 15.00 H new ATOM 621 N PRO B 215 -9.547 -0.896 1.451 1.00 15.00 N ATOM 622 CA PRO B 215 -10.158 -1.269 2.727 1.00 15.00 C ATOM 623 C PRO B 215 -11.026 -0.174 3.338 1.00 15.00 C ATOM 624 O PRO B 215 -10.607 0.967 3.513 1.00 15.00 O ATOM 625 CB PRO B 215 -8.921 -1.491 3.633 1.00 15.00 C ATOM 626 CG PRO B 215 -7.738 -1.389 2.723 1.00 15.00 C ATOM 627 CD PRO B 215 -8.174 -0.455 1.643 1.00 15.00 C ATOM 0 HA PRO B 215 -10.824 -2.124 2.610 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -8.874 -0.742 4.424 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -8.960 -2.466 4.119 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -6.864 -1.006 3.250 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -7.464 -2.363 2.318 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -8.113 0.590 1.948 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -7.575 -0.558 0.738 1.00 15.00 H new ATOM 635 N PHE B 216 -12.253 -0.547 3.666 1.00 15.00 N ATOM 636 CA PHE B 216 -13.195 0.363 4.298 1.00 15.00 C ATOM 637 C PHE B 216 -13.142 0.208 5.813 1.00 15.00 C ATOM 638 O PHE B 216 -13.935 0.805 6.540 1.00 15.00 O ATOM 639 CB PHE B 216 -14.612 0.087 3.788 1.00 15.00 C ATOM 640 CG PHE B 216 -14.751 0.221 2.296 1.00 15.00 C ATOM 641 CD1 PHE B 216 -14.679 -0.893 1.477 1.00 15.00 C ATOM 642 CD2 PHE B 216 -14.951 1.462 1.714 1.00 15.00 C ATOM 643 CE1 PHE B 216 -14.801 -0.773 0.104 1.00 15.00 C ATOM 644 CE2 PHE B 216 -15.075 1.590 0.343 1.00 15.00 C ATOM 645 CZ PHE B 216 -15.001 0.470 -0.463 1.00 15.00 C ATOM 0 H PHE B 216 -12.622 -1.484 3.503 1.00 15.00 H new ATOM 0 HA PHE B 216 -12.921 1.387 4.043 1.00 15.00 H new ATOM 0 HB2 PHE B 216 -14.906 -0.920 4.083 1.00 15.00 H new ATOM 0 HB3 PHE B 216 -15.304 0.776 4.272 1.00 15.00 H new ATOM 0 HD1 PHE B 216 -14.526 -1.868 1.915 1.00 15.00 H new ATOM 0 HD2 PHE B 216 -15.011 2.341 2.339 1.00 15.00 H new ATOM 0 HE1 PHE B 216 -14.740 -1.650 -0.523 1.00 15.00 H new ATOM 0 HE2 PHE B 216 -15.229 2.564 -0.097 1.00 15.00 H new ATOM 0 HZ PHE B 216 -15.099 0.567 -1.534 1.00 15.00 H new ATOM 655 N GLN B 217 -12.202 -0.602 6.279 1.00 15.00 N ATOM 656 CA GLN B 217 -12.012 -0.819 7.704 1.00 15.00 C ATOM 657 C GLN B 217 -10.715 -0.162 8.152 1.00 15.00 C ATOM 658 O GLN B 217 -10.660 0.340 9.293 1.00 15.00 O ATOM 659 CB GLN B 217 -11.995 -2.314 8.043 1.00 15.00 C ATOM 660 CG GLN B 217 -10.918 -3.104 7.315 1.00 15.00 C ATOM 661 CD GLN B 217 -10.805 -4.529 7.814 1.00 15.00 C ATOM 662 OE1 GLN B 217 -10.033 -4.822 8.726 1.00 15.00 O ATOM 663 NE2 GLN B 217 -11.577 -5.427 7.223 1.00 15.00 N ATOM 664 OXT GLN B 217 -9.772 -0.109 7.333 1.00 15.00 O ATOM 0 H GLN B 217 -11.556 -1.122 5.686 1.00 15.00 H new ATOM 0 HA GLN B 217 -12.850 -0.368 8.235 1.00 15.00 H new ATOM 0 HB2 GLN B 217 -11.852 -2.430 9.117 1.00 15.00 H new ATOM 0 HB3 GLN B 217 -12.969 -2.741 7.803 1.00 15.00 H new ATOM 0 HG2 GLN B 217 -11.138 -3.113 6.247 1.00 15.00 H new ATOM 0 HG3 GLN B 217 -9.958 -2.602 7.439 1.00 15.00 H new ATOM 0 HE21 GLN B 217 -12.204 -5.144 6.470 1.00 15.00 H new ATOM 0 HE22 GLN B 217 -11.545 -6.402 7.521 1.00 15.00 H new TER 673 GLN B 217