USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 269 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 261 THR OG1 : rot -155:sc= 0.847 USER MOD Set 1.2: A 263 HIS :FLIP no HD1:sc= -0.832 F(o=-1.9,f=0.015) USER MOD Set 2.1: A 254 HIS :FLIP no HD1:sc= -2.38! C(o=-4.1!,f=-2.4!) USER MOD Set 2.2: A 256 GLN : amide:sc= -0.0513 K(o=-2.4,f=-4!) USER MOD Set 2.3: A 257 THR OG1 : rot 180:sc= 0 USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 244 THR OG1 : rot 180:sc= 0 USER MOD Single : A 245 THR OG1 : rot 180:sc= 0.0499 USER MOD Single : A 247 GLN : amide:sc= 0 X(o=0,f=0.058) USER MOD Single : A 249 GLN :FLIP amide:sc= -0.545 F(o=-3.5!,f=-0.54) USER MOD Single : A 251 TYR OH : rot -15:sc= 0.855 USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 SER OG : rot 44:sc= 0.0292 USER MOD ----------------------------------------------------------------- ATOM 16 N LEU A 236 9.516 4.356 2.109 1.00 15.00 N ATOM 17 CA LEU A 236 9.510 2.921 1.881 1.00 15.00 C ATOM 18 C LEU A 236 10.839 2.451 1.323 1.00 15.00 C ATOM 19 O LEU A 236 11.538 3.183 0.622 1.00 15.00 O ATOM 20 CB LEU A 236 8.412 2.482 0.888 1.00 15.00 C ATOM 21 CG LEU A 236 7.127 3.316 0.833 1.00 15.00 C ATOM 22 CD1 LEU A 236 6.546 3.529 2.213 1.00 15.00 C ATOM 23 CD2 LEU A 236 7.394 4.637 0.148 1.00 15.00 C ATOM 0 HA LEU A 236 9.316 2.472 2.855 1.00 15.00 H new ATOM 0 HB2 LEU A 236 8.848 2.471 -0.111 1.00 15.00 H new ATOM 0 HB3 LEU A 236 8.135 1.455 1.126 1.00 15.00 H new ATOM 0 HG LEU A 236 6.388 2.764 0.252 1.00 15.00 H new ATOM 0 HD11 LEU A 236 5.636 4.124 2.137 1.00 15.00 H new ATOM 0 HD12 LEU A 236 6.312 2.564 2.662 1.00 15.00 H new ATOM 0 HD13 LEU A 236 7.271 4.053 2.836 1.00 15.00 H new ATOM 0 HD21 LEU A 236 6.475 5.222 0.114 1.00 15.00 H new ATOM 0 HD22 LEU A 236 8.154 5.187 0.703 1.00 15.00 H new ATOM 0 HD23 LEU A 236 7.746 4.456 -0.867 1.00 15.00 H new ATOM 35 N PRO A 237 11.175 1.202 1.617 1.00 15.00 N ATOM 36 CA PRO A 237 12.243 0.487 0.927 1.00 15.00 C ATOM 37 C PRO A 237 11.820 0.192 -0.497 1.00 15.00 C ATOM 38 O PRO A 237 10.630 0.169 -0.812 1.00 15.00 O ATOM 39 CB PRO A 237 12.386 -0.817 1.726 1.00 15.00 C ATOM 40 CG PRO A 237 11.642 -0.596 3.002 1.00 15.00 C ATOM 41 CD PRO A 237 10.577 0.419 2.699 1.00 15.00 C ATOM 0 HA PRO A 237 13.175 1.049 0.873 1.00 15.00 H new ATOM 0 HB2 PRO A 237 11.973 -1.661 1.174 1.00 15.00 H new ATOM 0 HB3 PRO A 237 13.434 -1.044 1.919 1.00 15.00 H new ATOM 0 HG2 PRO A 237 11.202 -1.526 3.361 1.00 15.00 H new ATOM 0 HG3 PRO A 237 12.310 -0.237 3.784 1.00 15.00 H new ATOM 0 HD2 PRO A 237 9.645 -0.053 2.389 1.00 15.00 H new ATOM 0 HD3 PRO A 237 10.348 1.037 3.567 1.00 15.00 H new ATOM 49 N GLU A 238 12.790 -0.048 -1.347 1.00 15.00 N ATOM 50 CA GLU A 238 12.518 -0.205 -2.769 1.00 15.00 C ATOM 51 C GLU A 238 11.763 -1.507 -3.026 1.00 15.00 C ATOM 52 O GLU A 238 12.264 -2.598 -2.753 1.00 15.00 O ATOM 53 CB GLU A 238 13.825 -0.181 -3.565 1.00 15.00 C ATOM 54 CG GLU A 238 13.624 0.005 -5.060 1.00 15.00 C ATOM 55 CD GLU A 238 12.982 1.334 -5.401 1.00 15.00 C ATOM 56 OE1 GLU A 238 13.643 2.383 -5.235 1.00 15.00 O ATOM 57 OE2 GLU A 238 11.817 1.339 -5.855 1.00 15.00 O1- ATOM 0 H GLU A 238 13.772 -0.140 -1.088 1.00 15.00 H new ATOM 0 HA GLU A 238 11.895 0.627 -3.098 1.00 15.00 H new ATOM 0 HB2 GLU A 238 14.455 0.625 -3.189 1.00 15.00 H new ATOM 0 HB3 GLU A 238 14.363 -1.113 -3.392 1.00 15.00 H new ATOM 0 HG2 GLU A 238 14.588 -0.069 -5.564 1.00 15.00 H new ATOM 0 HG3 GLU A 238 13.001 -0.804 -5.442 1.00 15.00 H new ATOM 64 N GLY A 239 10.547 -1.372 -3.540 1.00 15.00 N ATOM 65 CA GLY A 239 9.691 -2.521 -3.756 1.00 15.00 C ATOM 66 C GLY A 239 8.244 -2.260 -3.361 1.00 15.00 C ATOM 67 O GLY A 239 7.387 -3.133 -3.514 1.00 15.00 O ATOM 0 H GLY A 239 10.136 -0.479 -3.813 1.00 15.00 H new ATOM 0 HA2 GLY A 239 9.730 -2.805 -4.808 1.00 15.00 H new ATOM 0 HA3 GLY A 239 10.073 -3.366 -3.183 1.00 15.00 H new ATOM 71 N TYR A 240 7.970 -1.065 -2.844 1.00 15.00 N ATOM 72 CA TYR A 240 6.609 -0.676 -2.472 1.00 15.00 C ATOM 73 C TYR A 240 6.156 0.501 -3.322 1.00 15.00 C ATOM 74 O TYR A 240 6.910 1.456 -3.516 1.00 15.00 O ATOM 75 CB TYR A 240 6.538 -0.239 -0.999 1.00 15.00 C ATOM 76 CG TYR A 240 7.074 -1.245 -0.013 1.00 15.00 C ATOM 77 CD1 TYR A 240 8.369 -1.153 0.469 1.00 15.00 C ATOM 78 CD2 TYR A 240 6.287 -2.292 0.428 1.00 15.00 C ATOM 79 CE1 TYR A 240 8.867 -2.079 1.356 1.00 15.00 C ATOM 80 CE2 TYR A 240 6.773 -3.224 1.321 1.00 15.00 C ATOM 81 CZ TYR A 240 8.067 -3.116 1.781 1.00 15.00 C ATOM 82 OH TYR A 240 8.561 -4.049 2.666 1.00 15.00 O ATOM 0 H TYR A 240 8.673 -0.346 -2.672 1.00 15.00 H new ATOM 0 HA TYR A 240 5.968 -1.543 -2.630 1.00 15.00 H new ATOM 0 HB2 TYR A 240 7.093 0.692 -0.884 1.00 15.00 H new ATOM 0 HB3 TYR A 240 5.499 -0.024 -0.748 1.00 15.00 H new ATOM 0 HD1 TYR A 240 9.000 -0.339 0.142 1.00 15.00 H new ATOM 0 HD2 TYR A 240 5.273 -2.382 0.067 1.00 15.00 H new ATOM 0 HE1 TYR A 240 9.881 -1.993 1.717 1.00 15.00 H new ATOM 0 HE2 TYR A 240 6.143 -4.034 1.658 1.00 15.00 H new ATOM 0 HH TYR A 240 7.867 -4.712 2.864 1.00 15.00 H new ATOM 92 N GLU A 241 4.926 0.459 -3.797 1.00 15.00 N ATOM 93 CA GLU A 241 4.344 1.603 -4.474 1.00 15.00 C ATOM 94 C GLU A 241 3.282 2.239 -3.583 1.00 15.00 C ATOM 95 O GLU A 241 2.450 1.540 -2.994 1.00 15.00 O ATOM 96 CB GLU A 241 3.748 1.203 -5.831 1.00 15.00 C ATOM 97 CG GLU A 241 2.680 0.124 -5.759 1.00 15.00 C ATOM 98 CD GLU A 241 2.027 -0.117 -7.101 1.00 15.00 C ATOM 99 OE1 GLU A 241 2.595 -0.872 -7.923 1.00 15.00 O ATOM 100 OE2 GLU A 241 0.956 0.465 -7.357 1.00 15.00 O1- ATOM 0 H GLU A 241 4.312 -0.352 -3.727 1.00 15.00 H new ATOM 0 HA GLU A 241 5.132 2.331 -4.666 1.00 15.00 H new ATOM 0 HB2 GLU A 241 3.320 2.089 -6.300 1.00 15.00 H new ATOM 0 HB3 GLU A 241 4.553 0.856 -6.479 1.00 15.00 H new ATOM 0 HG2 GLU A 241 3.126 -0.804 -5.401 1.00 15.00 H new ATOM 0 HG3 GLU A 241 1.920 0.414 -5.033 1.00 15.00 H new ATOM 107 N GLN A 242 3.312 3.559 -3.471 1.00 15.00 N ATOM 108 CA GLN A 242 2.332 4.265 -2.665 1.00 15.00 C ATOM 109 C GLN A 242 1.135 4.621 -3.520 1.00 15.00 C ATOM 110 O GLN A 242 1.160 5.596 -4.276 1.00 15.00 O ATOM 111 CB GLN A 242 2.925 5.529 -2.045 1.00 15.00 C ATOM 112 CG GLN A 242 2.007 6.195 -1.026 1.00 15.00 C ATOM 113 CD GLN A 242 2.523 7.537 -0.550 1.00 15.00 C ATOM 114 OE1 GLN A 242 3.254 7.624 0.439 1.00 15.00 O ATOM 115 NE2 GLN A 242 2.142 8.593 -1.247 1.00 15.00 N ATOM 0 H GLN A 242 4.001 4.158 -3.926 1.00 15.00 H new ATOM 0 HA GLN A 242 2.022 3.609 -1.852 1.00 15.00 H new ATOM 0 HB2 GLN A 242 3.870 5.279 -1.562 1.00 15.00 H new ATOM 0 HB3 GLN A 242 3.152 6.241 -2.838 1.00 15.00 H new ATOM 0 HG2 GLN A 242 1.019 6.328 -1.468 1.00 15.00 H new ATOM 0 HG3 GLN A 242 1.886 5.534 -0.168 1.00 15.00 H new ATOM 0 HE21 GLN A 242 1.536 8.476 -2.059 1.00 15.00 H new ATOM 0 HE22 GLN A 242 2.454 9.525 -0.973 1.00 15.00 H new ATOM 124 N ARG A 243 0.106 3.805 -3.432 1.00 15.00 N ATOM 125 CA ARG A 243 -1.066 3.998 -4.255 1.00 15.00 C ATOM 126 C ARG A 243 -2.125 4.784 -3.501 1.00 15.00 C ATOM 127 O ARG A 243 -2.602 4.364 -2.447 1.00 15.00 O ATOM 128 CB ARG A 243 -1.624 2.661 -4.741 1.00 15.00 C ATOM 129 CG ARG A 243 -2.801 2.833 -5.680 1.00 15.00 C ATOM 130 CD ARG A 243 -2.946 1.659 -6.632 1.00 15.00 C ATOM 131 NE ARG A 243 -3.288 2.101 -7.989 1.00 15.00 N ATOM 132 CZ ARG A 243 -4.514 2.465 -8.383 1.00 15.00 C ATOM 133 NH1 ARG A 243 -5.542 2.405 -7.543 1.00 15.00 N1+ ATOM 134 NH2 ARG A 243 -4.709 2.882 -9.630 1.00 15.00 N ATOM 0 H ARG A 243 0.058 3.005 -2.801 1.00 15.00 H new ATOM 0 HA ARG A 243 -0.771 4.574 -5.132 1.00 15.00 H new ATOM 0 HB2 ARG A 243 -0.836 2.105 -5.249 1.00 15.00 H new ATOM 0 HB3 ARG A 243 -1.932 2.065 -3.882 1.00 15.00 H new ATOM 0 HG2 ARG A 243 -3.716 2.943 -5.098 1.00 15.00 H new ATOM 0 HG3 ARG A 243 -2.676 3.751 -6.254 1.00 15.00 H new ATOM 0 HD2 ARG A 243 -2.015 1.093 -6.657 1.00 15.00 H new ATOM 0 HD3 ARG A 243 -3.719 0.984 -6.263 1.00 15.00 H new ATOM 0 HE ARG A 243 -2.539 2.133 -8.680 1.00 15.00 H new ATOM 0 HH11 ARG A 243 -5.401 2.079 -6.587 1.00 15.00 H new ATOM 0 HH12 ARG A 243 -6.472 2.685 -7.854 1.00 15.00 H new ATOM 0 HH21 ARG A 243 -3.926 2.924 -10.282 1.00 15.00 H new ATOM 0 HH22 ARG A 243 -5.642 3.160 -9.935 1.00 15.00 H new ATOM 148 N THR A 244 -2.472 5.932 -4.050 1.00 15.00 N ATOM 149 CA THR A 244 -3.470 6.794 -3.458 1.00 15.00 C ATOM 150 C THR A 244 -4.782 6.685 -4.231 1.00 15.00 C ATOM 151 O THR A 244 -4.790 6.411 -5.434 1.00 15.00 O ATOM 152 CB THR A 244 -2.984 8.259 -3.421 1.00 15.00 C ATOM 153 OG1 THR A 244 -4.014 9.120 -2.922 1.00 15.00 O ATOM 154 CG2 THR A 244 -2.542 8.717 -4.800 1.00 15.00 C ATOM 0 H THR A 244 -2.070 6.290 -4.916 1.00 15.00 H new ATOM 0 HA THR A 244 -3.638 6.470 -2.431 1.00 15.00 H new ATOM 0 HB THR A 244 -2.128 8.312 -2.749 1.00 15.00 H new ATOM 0 HG1 THR A 244 -3.688 10.044 -2.904 1.00 15.00 H new ATOM 0 HG21 THR A 244 -2.204 9.752 -4.749 1.00 15.00 H new ATOM 0 HG22 THR A 244 -1.725 8.085 -5.149 1.00 15.00 H new ATOM 0 HG23 THR A 244 -3.379 8.643 -5.494 1.00 15.00 H new ATOM 162 N THR A 245 -5.876 6.882 -3.526 1.00 15.00 N ATOM 163 CA THR A 245 -7.208 6.757 -4.088 1.00 15.00 C ATOM 164 C THR A 245 -8.074 7.924 -3.637 1.00 15.00 C ATOM 165 O THR A 245 -7.834 8.496 -2.571 1.00 15.00 O ATOM 166 CB THR A 245 -7.875 5.415 -3.699 1.00 15.00 C ATOM 167 OG1 THR A 245 -9.268 5.433 -4.041 1.00 15.00 O ATOM 168 CG2 THR A 245 -7.716 5.127 -2.214 1.00 15.00 C ATOM 0 H THR A 245 -5.868 7.136 -2.538 1.00 15.00 H new ATOM 0 HA THR A 245 -7.113 6.773 -5.174 1.00 15.00 H new ATOM 0 HB THR A 245 -7.375 4.623 -4.257 1.00 15.00 H new ATOM 0 HG1 THR A 245 -9.677 4.578 -3.791 1.00 15.00 H new ATOM 0 HG21 THR A 245 -8.195 4.178 -1.974 1.00 15.00 H new ATOM 0 HG22 THR A 245 -6.656 5.071 -1.966 1.00 15.00 H new ATOM 0 HG23 THR A 245 -8.182 5.925 -1.637 1.00 15.00 H new ATOM 176 N VAL A 246 -9.045 8.305 -4.475 1.00 15.00 N ATOM 177 CA VAL A 246 -9.996 9.382 -4.160 1.00 15.00 C ATOM 178 C VAL A 246 -10.657 9.150 -2.791 1.00 15.00 C ATOM 179 O VAL A 246 -11.228 10.062 -2.193 1.00 15.00 O ATOM 180 CB VAL A 246 -11.088 9.494 -5.251 1.00 15.00 C ATOM 181 CG1 VAL A 246 -11.952 10.732 -5.045 1.00 15.00 C ATOM 182 CG2 VAL A 246 -10.463 9.509 -6.640 1.00 15.00 C ATOM 0 H VAL A 246 -9.195 7.878 -5.389 1.00 15.00 H new ATOM 0 HA VAL A 246 -9.433 10.315 -4.127 1.00 15.00 H new ATOM 0 HB VAL A 246 -11.730 8.617 -5.167 1.00 15.00 H new ATOM 0 HG11 VAL A 246 -12.709 10.782 -5.828 1.00 15.00 H new ATOM 0 HG12 VAL A 246 -12.439 10.678 -4.072 1.00 15.00 H new ATOM 0 HG13 VAL A 246 -11.326 11.624 -5.088 1.00 15.00 H new ATOM 0 HG21 VAL A 246 -11.248 9.588 -7.392 1.00 15.00 H new ATOM 0 HG22 VAL A 246 -9.790 10.362 -6.727 1.00 15.00 H new ATOM 0 HG23 VAL A 246 -9.903 8.587 -6.797 1.00 15.00 H new ATOM 192 N GLN A 247 -10.556 7.915 -2.310 1.00 15.00 N ATOM 193 CA GLN A 247 -10.961 7.544 -0.957 1.00 15.00 C ATOM 194 C GLN A 247 -10.270 8.432 0.096 1.00 15.00 C ATOM 195 O GLN A 247 -10.713 8.520 1.241 1.00 15.00 O ATOM 196 CB GLN A 247 -10.601 6.070 -0.735 1.00 15.00 C ATOM 197 CG GLN A 247 -10.965 5.511 0.626 1.00 15.00 C ATOM 198 CD GLN A 247 -12.463 5.465 0.857 1.00 15.00 C ATOM 199 OE1 GLN A 247 -13.053 6.408 1.379 1.00 15.00 O ATOM 200 NE2 GLN A 247 -13.087 4.371 0.462 1.00 15.00 N ATOM 0 H GLN A 247 -10.187 7.135 -2.854 1.00 15.00 H new ATOM 0 HA GLN A 247 -12.035 7.690 -0.847 1.00 15.00 H new ATOM 0 HB2 GLN A 247 -11.098 5.473 -1.499 1.00 15.00 H new ATOM 0 HB3 GLN A 247 -9.528 5.949 -0.884 1.00 15.00 H new ATOM 0 HG2 GLN A 247 -10.555 4.506 0.723 1.00 15.00 H new ATOM 0 HG3 GLN A 247 -10.500 6.121 1.401 1.00 15.00 H new ATOM 0 HE21 GLN A 247 -12.560 3.610 0.033 1.00 15.00 H new ATOM 0 HE22 GLN A 247 -14.096 4.286 0.586 1.00 15.00 H new ATOM 209 N GLY A 248 -9.161 9.057 -0.296 1.00 15.00 N ATOM 210 CA GLY A 248 -8.464 9.981 0.581 1.00 15.00 C ATOM 211 C GLY A 248 -7.381 9.303 1.395 1.00 15.00 C ATOM 212 O GLY A 248 -6.713 9.939 2.211 1.00 15.00 O ATOM 0 H GLY A 248 -8.731 8.937 -1.213 1.00 15.00 H new ATOM 0 HA2 GLY A 248 -8.020 10.778 -0.015 1.00 15.00 H new ATOM 0 HA3 GLY A 248 -9.182 10.449 1.255 1.00 15.00 H new ATOM 216 N GLN A 249 -7.195 8.013 1.162 1.00 15.00 N ATOM 217 CA GLN A 249 -6.250 7.225 1.939 1.00 15.00 C ATOM 218 C GLN A 249 -5.268 6.523 1.010 1.00 15.00 C ATOM 219 O GLN A 249 -5.664 5.966 -0.013 1.00 15.00 O ATOM 220 CB GLN A 249 -7.003 6.186 2.774 1.00 15.00 C ATOM 221 CG GLN A 249 -8.239 6.731 3.450 1.00 15.00 C ATOM 222 CD GLN A 249 -8.972 5.708 4.293 1.00 15.00 C ATOM 223 OE1 GLN A 249 -9.935 5.031 3.692 1.00 15.00 O flip ATOM 224 NE2 GLN A 249 -8.694 5.545 5.480 1.00 15.00 N flip ATOM 0 H GLN A 249 -7.687 7.488 0.439 1.00 15.00 H new ATOM 0 HA GLN A 249 -5.698 7.890 2.604 1.00 15.00 H new ATOM 0 HB2 GLN A 249 -7.288 5.354 2.131 1.00 15.00 H new ATOM 0 HB3 GLN A 249 -6.331 5.786 3.533 1.00 15.00 H new ATOM 0 HG2 GLN A 249 -7.956 7.573 4.081 1.00 15.00 H new ATOM 0 HG3 GLN A 249 -8.918 7.116 2.690 1.00 15.00 H new ATOM 0 HE21 GLN A 249 -7.943 6.087 5.907 1.00 15.00 H new ATOM 0 HE22 GLN A 249 -9.214 4.867 6.037 1.00 15.00 H new ATOM 233 N VAL A 250 -3.995 6.550 1.365 1.00 15.00 N ATOM 234 CA VAL A 250 -2.978 5.854 0.593 1.00 15.00 C ATOM 235 C VAL A 250 -2.805 4.431 1.107 1.00 15.00 C ATOM 236 O VAL A 250 -2.820 4.192 2.317 1.00 15.00 O ATOM 237 CB VAL A 250 -1.615 6.589 0.635 1.00 15.00 C ATOM 238 CG1 VAL A 250 -1.699 7.918 -0.094 1.00 15.00 C ATOM 239 CG2 VAL A 250 -1.156 6.799 2.071 1.00 15.00 C ATOM 0 H VAL A 250 -3.640 7.046 2.183 1.00 15.00 H new ATOM 0 HA VAL A 250 -3.318 5.832 -0.442 1.00 15.00 H new ATOM 0 HB VAL A 250 -0.880 5.964 0.129 1.00 15.00 H new ATOM 0 HG11 VAL A 250 -0.731 8.418 -0.052 1.00 15.00 H new ATOM 0 HG12 VAL A 250 -1.974 7.745 -1.135 1.00 15.00 H new ATOM 0 HG13 VAL A 250 -2.452 8.546 0.381 1.00 15.00 H new ATOM 0 HG21 VAL A 250 -0.197 7.317 2.074 1.00 15.00 H new ATOM 0 HG22 VAL A 250 -1.894 7.398 2.605 1.00 15.00 H new ATOM 0 HG23 VAL A 250 -1.048 5.833 2.564 1.00 15.00 H new ATOM 249 N TYR A 251 -2.674 3.484 0.193 1.00 15.00 N ATOM 250 CA TYR A 251 -2.443 2.099 0.574 1.00 15.00 C ATOM 251 C TYR A 251 -1.155 1.585 -0.066 1.00 15.00 C ATOM 252 O TYR A 251 -0.938 1.738 -1.269 1.00 15.00 O ATOM 253 CB TYR A 251 -3.668 1.209 0.248 1.00 15.00 C ATOM 254 CG TYR A 251 -4.207 1.285 -1.171 1.00 15.00 C ATOM 255 CD1 TYR A 251 -5.065 2.307 -1.562 1.00 15.00 C ATOM 256 CD2 TYR A 251 -3.889 0.310 -2.113 1.00 15.00 C ATOM 257 CE1 TYR A 251 -5.577 2.352 -2.844 1.00 15.00 C ATOM 258 CE2 TYR A 251 -4.390 0.348 -3.383 1.00 15.00 C ATOM 259 CZ TYR A 251 -5.239 1.372 -3.750 1.00 15.00 C ATOM 260 OH TYR A 251 -5.740 1.429 -5.026 1.00 15.00 O ATOM 0 H TYR A 251 -2.723 3.646 -0.813 1.00 15.00 H new ATOM 0 HA TYR A 251 -2.314 2.050 1.655 1.00 15.00 H new ATOM 0 HB2 TYR A 251 -3.401 0.173 0.456 1.00 15.00 H new ATOM 0 HB3 TYR A 251 -4.473 1.474 0.933 1.00 15.00 H new ATOM 0 HD1 TYR A 251 -5.335 3.076 -0.853 1.00 15.00 H new ATOM 0 HD2 TYR A 251 -3.229 -0.497 -1.832 1.00 15.00 H new ATOM 0 HE1 TYR A 251 -6.240 3.153 -3.135 1.00 15.00 H new ATOM 0 HE2 TYR A 251 -4.123 -0.419 -4.096 1.00 15.00 H new ATOM 0 HH TYR A 251 -6.486 2.064 -5.057 1.00 15.00 H new ATOM 270 N PHE A 252 -0.303 0.972 0.754 1.00 15.00 N ATOM 271 CA PHE A 252 1.038 0.584 0.326 1.00 15.00 C ATOM 272 C PHE A 252 1.056 -0.803 -0.259 1.00 15.00 C ATOM 273 O PHE A 252 0.906 -1.791 0.463 1.00 15.00 O ATOM 274 CB PHE A 252 2.017 0.642 1.496 1.00 15.00 C ATOM 275 CG PHE A 252 2.418 2.043 1.835 1.00 15.00 C ATOM 276 CD1 PHE A 252 2.229 2.563 3.109 1.00 15.00 C ATOM 277 CD2 PHE A 252 2.955 2.856 0.858 1.00 15.00 C ATOM 278 CE1 PHE A 252 2.571 3.869 3.389 1.00 15.00 C ATOM 279 CE2 PHE A 252 3.305 4.155 1.139 1.00 15.00 C ATOM 280 CZ PHE A 252 3.110 4.663 2.403 1.00 15.00 C ATOM 0 H PHE A 252 -0.520 0.733 1.722 1.00 15.00 H new ATOM 0 HA PHE A 252 1.342 1.293 -0.444 1.00 15.00 H new ATOM 0 HB2 PHE A 252 1.563 0.175 2.370 1.00 15.00 H new ATOM 0 HB3 PHE A 252 2.906 0.061 1.251 1.00 15.00 H new ATOM 0 HD1 PHE A 252 1.811 1.940 3.886 1.00 15.00 H new ATOM 0 HD2 PHE A 252 3.102 2.467 -0.139 1.00 15.00 H new ATOM 0 HE1 PHE A 252 2.416 4.268 4.381 1.00 15.00 H new ATOM 0 HE2 PHE A 252 3.733 4.777 0.367 1.00 15.00 H new ATOM 0 HZ PHE A 252 3.380 5.686 2.621 1.00 15.00 H new ATOM 290 N LEU A 253 1.232 -0.879 -1.569 1.00 15.00 N ATOM 291 CA LEU A 253 1.247 -2.159 -2.244 1.00 15.00 C ATOM 292 C LEU A 253 2.622 -2.582 -2.706 1.00 15.00 C ATOM 293 O LEU A 253 3.379 -1.833 -3.320 1.00 15.00 O ATOM 294 CB LEU A 253 0.203 -2.245 -3.367 1.00 15.00 C ATOM 295 CG LEU A 253 -1.146 -2.793 -2.898 1.00 15.00 C ATOM 296 CD1 LEU A 253 -1.156 -4.298 -3.082 1.00 15.00 C ATOM 297 CD2 LEU A 253 -1.361 -2.409 -1.446 1.00 15.00 C ATOM 0 H LEU A 253 1.365 -0.073 -2.179 1.00 15.00 H new ATOM 0 HA LEU A 253 0.955 -2.887 -1.487 1.00 15.00 H new ATOM 0 HB2 LEU A 253 0.056 -1.253 -3.794 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.588 -2.881 -4.164 1.00 15.00 H new ATOM 0 HG LEU A 253 -1.961 -2.370 -3.486 1.00 15.00 H new ATOM 0 HD11 LEU A 253 -2.114 -4.699 -2.750 1.00 15.00 H new ATOM 0 HD12 LEU A 253 -1.008 -4.537 -4.135 1.00 15.00 H new ATOM 0 HD13 LEU A 253 -0.354 -4.742 -2.493 1.00 15.00 H new ATOM 0 HD21 LEU A 253 -2.321 -2.797 -1.105 1.00 15.00 H new ATOM 0 HD22 LEU A 253 -0.562 -2.831 -0.836 1.00 15.00 H new ATOM 0 HD23 LEU A 253 -1.354 -1.323 -1.352 1.00 15.00 H new ATOM 309 N HIS A 254 2.905 -3.822 -2.379 1.00 15.00 N ATOM 310 CA HIS A 254 4.157 -4.478 -2.681 1.00 15.00 C ATOM 311 C HIS A 254 3.843 -5.886 -3.080 1.00 15.00 C ATOM 312 O HIS A 254 3.575 -6.722 -2.216 1.00 15.00 O ATOM 313 CB HIS A 254 5.078 -4.456 -1.441 1.00 15.00 C ATOM 314 CG HIS A 254 5.952 -5.675 -1.199 1.00 15.00 C ATOM 315 ND1 HIS A 254 6.018 -6.495 -0.120 1.00 15.00 N flip ATOM 316 CD2 HIS A 254 6.867 -6.180 -2.105 1.00 15.00 C flip ATOM 317 CE1 HIS A 254 6.948 -7.465 -0.389 1.00 15.00 C flip ATOM 318 NE2 HIS A 254 7.448 -7.257 -1.588 1.00 15.00 N flip ATOM 0 H HIS A 254 2.249 -4.422 -1.879 1.00 15.00 H new ATOM 0 HA HIS A 254 4.678 -3.965 -3.490 1.00 15.00 H new ATOM 0 HB2 HIS A 254 5.729 -3.585 -1.520 1.00 15.00 H new ATOM 0 HB3 HIS A 254 4.454 -4.309 -0.560 1.00 15.00 H new ATOM 0 HD2 HIS A 254 7.076 -5.764 -3.080 1.00 15.00 H new ATOM 0 HE1 HIS A 254 7.225 -8.270 0.276 1.00 15.00 H new ATOM 0 HE2 HIS A 254 8.161 -7.826 -2.044 1.00 15.00 H new ATOM 327 N THR A 255 3.804 -6.191 -4.353 1.00 15.00 N ATOM 328 CA THR A 255 3.546 -7.569 -4.643 1.00 15.00 C ATOM 329 C THR A 255 4.788 -8.266 -5.172 1.00 15.00 C ATOM 330 O THR A 255 5.077 -8.325 -6.365 1.00 15.00 O ATOM 331 CB THR A 255 2.350 -7.731 -5.615 1.00 15.00 C ATOM 332 OG1 THR A 255 2.154 -9.110 -5.945 1.00 15.00 O ATOM 333 CG2 THR A 255 2.541 -6.919 -6.889 1.00 15.00 C ATOM 0 H THR A 255 3.936 -5.560 -5.144 1.00 15.00 H new ATOM 0 HA THR A 255 3.272 -8.053 -3.706 1.00 15.00 H new ATOM 0 HB THR A 255 1.465 -7.352 -5.103 1.00 15.00 H new ATOM 0 HG1 THR A 255 1.394 -9.195 -6.558 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.681 -7.060 -7.543 1.00 15.00 H new ATOM 0 HG22 THR A 255 2.635 -5.863 -6.637 1.00 15.00 H new ATOM 0 HG23 THR A 255 3.444 -7.252 -7.401 1.00 15.00 H new ATOM 341 N GLN A 256 5.538 -8.746 -4.207 1.00 15.00 N ATOM 342 CA GLN A 256 6.255 -9.994 -4.265 1.00 15.00 C ATOM 343 C GLN A 256 5.439 -11.003 -3.470 1.00 15.00 C ATOM 344 O GLN A 256 5.163 -12.115 -3.910 1.00 15.00 O ATOM 345 CB GLN A 256 7.653 -9.829 -3.666 1.00 15.00 C ATOM 346 CG GLN A 256 8.398 -11.132 -3.446 1.00 15.00 C ATOM 347 CD GLN A 256 9.650 -10.928 -2.619 1.00 15.00 C ATOM 348 OE1 GLN A 256 9.714 -10.020 -1.788 1.00 15.00 O ATOM 349 NE2 GLN A 256 10.646 -11.767 -2.832 1.00 15.00 N ATOM 0 H GLN A 256 5.669 -8.254 -3.323 1.00 15.00 H new ATOM 0 HA GLN A 256 6.385 -10.330 -5.294 1.00 15.00 H new ATOM 0 HB2 GLN A 256 8.245 -9.193 -4.325 1.00 15.00 H new ATOM 0 HB3 GLN A 256 7.567 -9.308 -2.712 1.00 15.00 H new ATOM 0 HG2 GLN A 256 7.743 -11.846 -2.946 1.00 15.00 H new ATOM 0 HG3 GLN A 256 8.665 -11.566 -4.410 1.00 15.00 H new ATOM 0 HE21 GLN A 256 10.551 -12.505 -3.530 1.00 15.00 H new ATOM 0 HE22 GLN A 256 11.511 -11.678 -2.299 1.00 15.00 H new ATOM 358 N THR A 257 5.053 -10.551 -2.266 1.00 15.00 N ATOM 359 CA THR A 257 4.385 -11.368 -1.280 1.00 15.00 C ATOM 360 C THR A 257 3.012 -10.842 -0.957 1.00 15.00 C ATOM 361 O THR A 257 2.422 -11.093 0.094 1.00 15.00 O ATOM 362 CB THR A 257 5.192 -11.380 -0.006 1.00 15.00 C ATOM 363 OG1 THR A 257 5.372 -10.030 0.461 1.00 15.00 O ATOM 364 CG2 THR A 257 6.551 -12.031 -0.205 1.00 15.00 C ATOM 0 H THR A 257 5.206 -9.590 -1.960 1.00 15.00 H new ATOM 0 HA THR A 257 4.290 -12.371 -1.696 1.00 15.00 H new ATOM 0 HB THR A 257 4.644 -11.966 0.732 1.00 15.00 H new ATOM 0 HG1 THR A 257 5.895 -10.038 1.290 1.00 15.00 H new ATOM 0 HG21 THR A 257 7.101 -12.020 0.736 1.00 15.00 H new ATOM 0 HG22 THR A 257 6.416 -13.061 -0.534 1.00 15.00 H new ATOM 0 HG23 THR A 257 7.112 -11.479 -0.960 1.00 15.00 H new ATOM 372 N GLY A 258 2.549 -10.157 -1.922 1.00 15.00 N ATOM 373 CA GLY A 258 1.251 -9.484 -1.896 1.00 15.00 C ATOM 374 C GLY A 258 1.004 -8.632 -0.652 1.00 15.00 C ATOM 375 O GLY A 258 0.206 -9.006 0.207 1.00 15.00 O ATOM 0 H GLY A 258 3.055 -10.024 -2.798 1.00 15.00 H new ATOM 0 HA2 GLY A 258 1.167 -8.849 -2.778 1.00 15.00 H new ATOM 0 HA3 GLY A 258 0.465 -10.235 -1.968 1.00 15.00 H new ATOM 379 N VAL A 259 1.673 -7.484 -0.551 1.00 15.00 N ATOM 380 CA VAL A 259 1.405 -6.545 0.542 1.00 15.00 C ATOM 381 C VAL A 259 0.367 -5.511 0.149 1.00 15.00 C ATOM 382 O VAL A 259 0.592 -4.721 -0.762 1.00 15.00 O ATOM 383 CB VAL A 259 2.676 -5.808 1.060 1.00 15.00 C ATOM 384 CG1 VAL A 259 2.306 -4.550 1.837 1.00 15.00 C ATOM 385 CG2 VAL A 259 3.449 -6.740 1.967 1.00 15.00 C ATOM 0 H VAL A 259 2.397 -7.182 -1.204 1.00 15.00 H new ATOM 0 HA VAL A 259 1.025 -7.166 1.354 1.00 15.00 H new ATOM 0 HB VAL A 259 3.281 -5.517 0.202 1.00 15.00 H new ATOM 0 HG11 VAL A 259 3.214 -4.058 2.186 1.00 15.00 H new ATOM 0 HG12 VAL A 259 1.751 -3.872 1.189 1.00 15.00 H new ATOM 0 HG13 VAL A 259 1.688 -4.820 2.693 1.00 15.00 H new ATOM 0 HG21 VAL A 259 4.341 -6.233 2.335 1.00 15.00 H new ATOM 0 HG22 VAL A 259 2.822 -7.029 2.811 1.00 15.00 H new ATOM 0 HG23 VAL A 259 3.741 -7.630 1.410 1.00 15.00 H new ATOM 395 N SER A 260 -0.761 -5.544 0.844 1.00 15.00 N ATOM 396 CA SER A 260 -1.751 -4.474 0.781 1.00 15.00 C ATOM 397 C SER A 260 -2.051 -4.007 2.192 1.00 15.00 C ATOM 398 O SER A 260 -2.640 -4.738 2.989 1.00 15.00 O ATOM 399 CB SER A 260 -3.041 -4.899 0.052 1.00 15.00 C ATOM 400 OG SER A 260 -3.471 -6.189 0.460 1.00 15.00 O ATOM 0 H SER A 260 -1.017 -6.310 1.466 1.00 15.00 H new ATOM 0 HA SER A 260 -1.335 -3.654 0.195 1.00 15.00 H new ATOM 0 HB2 SER A 260 -3.829 -4.172 0.251 1.00 15.00 H new ATOM 0 HB3 SER A 260 -2.869 -4.896 -1.024 1.00 15.00 H new ATOM 0 HG SER A 260 -3.401 -6.264 1.435 1.00 15.00 H new ATOM 406 N THR A 261 -1.614 -2.804 2.514 1.00 15.00 N ATOM 407 CA THR A 261 -1.618 -2.371 3.905 1.00 15.00 C ATOM 408 C THR A 261 -1.802 -0.862 4.058 1.00 15.00 C ATOM 409 O THR A 261 -1.432 -0.084 3.173 1.00 15.00 O ATOM 410 CB THR A 261 -0.322 -2.813 4.618 1.00 15.00 C ATOM 411 OG1 THR A 261 -0.412 -2.539 6.018 1.00 15.00 O ATOM 412 CG2 THR A 261 0.901 -2.114 4.043 1.00 15.00 C ATOM 0 H THR A 261 -1.257 -2.118 1.848 1.00 15.00 H new ATOM 0 HA THR A 261 -2.477 -2.852 4.373 1.00 15.00 H new ATOM 0 HB THR A 261 -0.209 -3.885 4.458 1.00 15.00 H new ATOM 0 HG1 THR A 261 0.489 -2.435 6.390 1.00 15.00 H new ATOM 0 HG21 THR A 261 1.794 -2.451 4.570 1.00 15.00 H new ATOM 0 HG22 THR A 261 0.993 -2.354 2.984 1.00 15.00 H new ATOM 0 HG23 THR A 261 0.794 -1.036 4.163 1.00 15.00 H new ATOM 420 N TRP A 262 -2.412 -0.472 5.177 1.00 15.00 N ATOM 421 CA TRP A 262 -2.584 0.934 5.520 1.00 15.00 C ATOM 422 C TRP A 262 -1.279 1.552 6.017 1.00 15.00 C ATOM 423 O TRP A 262 -1.064 2.755 5.876 1.00 15.00 O ATOM 424 CB TRP A 262 -3.628 1.106 6.629 1.00 15.00 C ATOM 425 CG TRP A 262 -5.060 1.009 6.198 1.00 15.00 C ATOM 426 CD1 TRP A 262 -6.014 0.171 6.711 1.00 15.00 C ATOM 427 CD2 TRP A 262 -5.718 1.788 5.190 1.00 15.00 C ATOM 428 NE1 TRP A 262 -7.218 0.401 6.108 1.00 15.00 N ATOM 429 CE2 TRP A 262 -7.062 1.378 5.170 1.00 15.00 C ATOM 430 CE3 TRP A 262 -5.314 2.794 4.303 1.00 15.00 C ATOM 431 CZ2 TRP A 262 -7.991 1.936 4.314 1.00 15.00 C ATOM 432 CZ3 TRP A 262 -6.259 3.334 3.448 1.00 15.00 C ATOM 433 CH2 TRP A 262 -7.579 2.898 3.472 1.00 15.00 C ATOM 0 H TRP A 262 -2.797 -1.119 5.865 1.00 15.00 H new ATOM 0 HA TRP A 262 -2.910 1.435 4.609 1.00 15.00 H new ATOM 0 HB2 TRP A 262 -3.446 0.350 7.393 1.00 15.00 H new ATOM 0 HB3 TRP A 262 -3.475 2.078 7.099 1.00 15.00 H new ATOM 0 HD1 TRP A 262 -5.840 -0.566 7.481 1.00 15.00 H new ATOM 0 HE1 TRP A 262 -8.091 -0.080 6.324 1.00 15.00 H new ATOM 0 HE3 TRP A 262 -4.291 3.140 4.287 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 -9.020 1.608 4.321 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 -5.967 4.106 2.752 1.00 15.00 H new ATOM 0 HH2 TRP A 262 -8.292 3.345 2.795 1.00 15.00 H new ATOM 444 N HIS A 263 -0.428 0.739 6.633 1.00 15.00 N ATOM 445 CA HIS A 263 0.743 1.272 7.322 1.00 15.00 C ATOM 446 C HIS A 263 1.963 1.278 6.413 1.00 15.00 C ATOM 447 O HIS A 263 2.180 0.338 5.647 1.00 15.00 O ATOM 448 CB HIS A 263 1.036 0.479 8.615 1.00 15.00 C ATOM 449 CG HIS A 263 1.851 -0.781 8.444 1.00 15.00 C ATOM 450 ND1 HIS A 263 1.483 -2.051 8.147 1.00 15.00 N flip ATOM 451 CD2 HIS A 263 3.215 -0.824 8.640 1.00 15.00 C flip ATOM 452 CE1 HIS A 263 2.615 -2.828 8.180 1.00 15.00 C flip ATOM 453 NE2 HIS A 263 3.644 -2.060 8.476 1.00 15.00 N flip ATOM 0 H HIS A 263 -0.523 -0.276 6.670 1.00 15.00 H new ATOM 0 HA HIS A 263 0.520 2.303 7.596 1.00 15.00 H new ATOM 0 HB2 HIS A 263 1.559 1.135 9.311 1.00 15.00 H new ATOM 0 HB3 HIS A 263 0.086 0.214 9.079 1.00 15.00 H new ATOM 0 HD2 HIS A 263 3.836 0.024 8.889 1.00 15.00 H new ATOM 0 HE1 HIS A 263 2.655 -3.891 7.994 1.00 15.00 H new ATOM 0 HE2 HIS A 263 4.612 -2.370 8.564 1.00 15.00 H new ATOM 462 N ASP A 264 2.750 2.349 6.511 1.00 15.00 N ATOM 463 CA ASP A 264 4.043 2.423 5.834 1.00 15.00 C ATOM 464 C ASP A 264 4.838 1.162 6.160 1.00 15.00 C ATOM 465 O ASP A 264 4.994 0.804 7.320 1.00 15.00 O ATOM 466 CB ASP A 264 4.802 3.689 6.282 1.00 15.00 C ATOM 467 CG ASP A 264 6.100 3.939 5.522 1.00 15.00 C ATOM 468 OD1 ASP A 264 6.898 2.995 5.359 1.00 15.00 O ATOM 469 OD2 ASP A 264 6.337 5.101 5.104 1.00 15.00 O1- ATOM 0 H ASP A 264 2.513 3.179 7.054 1.00 15.00 H new ATOM 0 HA ASP A 264 3.900 2.486 4.755 1.00 15.00 H new ATOM 0 HB2 ASP A 264 4.149 4.553 6.159 1.00 15.00 H new ATOM 0 HB3 ASP A 264 5.026 3.608 7.346 1.00 15.00 H new ATOM 474 N PRO A 265 5.315 0.450 5.145 1.00 15.00 N ATOM 475 CA PRO A 265 5.982 -0.836 5.334 1.00 15.00 C ATOM 476 C PRO A 265 7.348 -0.722 5.980 1.00 15.00 C ATOM 477 O PRO A 265 7.935 -1.721 6.395 1.00 15.00 O ATOM 478 CB PRO A 265 6.095 -1.394 3.924 1.00 15.00 C ATOM 479 CG PRO A 265 6.097 -0.192 3.044 1.00 15.00 C ATOM 480 CD PRO A 265 5.240 0.833 3.727 1.00 15.00 C ATOM 0 HA PRO A 265 5.420 -1.473 6.017 1.00 15.00 H new ATOM 0 HB2 PRO A 265 7.007 -1.977 3.800 1.00 15.00 H new ATOM 0 HB3 PRO A 265 5.260 -2.055 3.691 1.00 15.00 H new ATOM 0 HG2 PRO A 265 7.110 0.182 2.900 1.00 15.00 H new ATOM 0 HG3 PRO A 265 5.703 -0.433 2.057 1.00 15.00 H new ATOM 0 HD2 PRO A 265 5.615 1.843 3.563 1.00 15.00 H new ATOM 0 HD3 PRO A 265 4.215 0.810 3.358 1.00 15.00 H new ATOM 488 N ARG A 266 7.868 0.484 6.007 1.00 15.00 N ATOM 489 CA ARG A 266 9.111 0.760 6.694 1.00 15.00 C ATOM 490 C ARG A 266 8.841 0.854 8.181 1.00 15.00 C ATOM 491 O ARG A 266 9.754 0.930 9.005 1.00 15.00 O ATOM 492 CB ARG A 266 9.660 2.072 6.192 1.00 15.00 C ATOM 493 CG ARG A 266 11.115 2.318 6.551 1.00 15.00 C ATOM 494 CD ARG A 266 12.061 1.644 5.579 1.00 15.00 C ATOM 495 NE ARG A 266 13.455 1.776 5.994 1.00 15.00 N ATOM 496 CZ ARG A 266 14.450 2.115 5.176 1.00 15.00 C ATOM 497 NH1 ARG A 266 14.204 2.411 3.904 1.00 15.00 N1+ ATOM 498 NH2 ARG A 266 15.693 2.176 5.634 1.00 15.00 N ATOM 0 H ARG A 266 7.446 1.296 5.557 1.00 15.00 H new ATOM 0 HA ARG A 266 9.833 -0.035 6.507 1.00 15.00 H new ATOM 0 HB2 ARG A 266 9.555 2.106 5.108 1.00 15.00 H new ATOM 0 HB3 ARG A 266 9.056 2.884 6.596 1.00 15.00 H new ATOM 0 HG2 ARG A 266 11.309 3.390 6.562 1.00 15.00 H new ATOM 0 HG3 ARG A 266 11.307 1.949 7.559 1.00 15.00 H new ATOM 0 HD2 ARG A 266 11.805 0.588 5.497 1.00 15.00 H new ATOM 0 HD3 ARG A 266 11.935 2.080 4.588 1.00 15.00 H new ATOM 0 HE ARG A 266 13.681 1.597 6.972 1.00 15.00 H new ATOM 0 HH11 ARG A 266 13.248 2.379 3.549 1.00 15.00 H new ATOM 0 HH12 ARG A 266 14.971 2.670 3.283 1.00 15.00 H new ATOM 0 HH21 ARG A 266 15.887 1.963 6.613 1.00 15.00 H new ATOM 0 HH22 ARG A 266 16.455 2.436 5.008 1.00 15.00 H new ATOM 574 N ASP B 211 -3.383 -5.265 -7.274 1.00 15.00 N ATOM 575 CA ASP B 211 -4.316 -6.389 -7.329 1.00 15.00 C ATOM 576 C ASP B 211 -5.525 -6.221 -6.379 1.00 15.00 C ATOM 577 O ASP B 211 -6.600 -6.745 -6.669 1.00 15.00 O ATOM 578 CB ASP B 211 -3.617 -7.701 -6.957 1.00 15.00 C ATOM 579 CG ASP B 211 -2.502 -8.087 -7.902 1.00 15.00 C ATOM 580 OD1 ASP B 211 -1.349 -7.680 -7.655 1.00 15.00 O ATOM 581 OD2 ASP B 211 -2.770 -8.836 -8.869 1.00 15.00 O1- ATOM 0 HA ASP B 211 -4.676 -6.414 -8.358 1.00 15.00 H new ATOM 0 HB2 ASP B 211 -3.212 -7.613 -5.949 1.00 15.00 H new ATOM 0 HB3 ASP B 211 -4.356 -8.502 -6.935 1.00 15.00 H new ATOM 586 N PRO B 212 -5.389 -5.517 -5.223 1.00 15.00 N ATOM 587 CA PRO B 212 -6.368 -5.555 -4.157 1.00 15.00 C ATOM 588 C PRO B 212 -7.345 -4.387 -4.212 1.00 15.00 C ATOM 589 O PRO B 212 -7.064 -3.345 -4.800 1.00 15.00 O ATOM 590 CB PRO B 212 -5.465 -5.425 -2.935 1.00 15.00 C ATOM 591 CG PRO B 212 -4.415 -4.519 -3.343 1.00 15.00 C ATOM 592 CD PRO B 212 -4.320 -4.582 -4.843 1.00 15.00 C ATOM 0 HA PRO B 212 -7.001 -6.442 -4.186 1.00 15.00 H new ATOM 0 HB2 PRO B 212 -6.014 -5.034 -2.078 1.00 15.00 H new ATOM 0 HB3 PRO B 212 -5.059 -6.392 -2.639 1.00 15.00 H new ATOM 0 HG2 PRO B 212 -4.636 -3.503 -3.015 1.00 15.00 H new ATOM 0 HG3 PRO B 212 -3.466 -4.801 -2.887 1.00 15.00 H new ATOM 0 HD2 PRO B 212 -4.467 -3.601 -5.295 1.00 15.00 H new ATOM 0 HD3 PRO B 212 -3.342 -4.939 -5.167 1.00 15.00 H new ATOM 600 N GLY B 213 -8.473 -4.548 -3.558 1.00 15.00 N ATOM 601 CA GLY B 213 -9.416 -3.465 -3.441 1.00 15.00 C ATOM 602 C GLY B 213 -9.104 -2.647 -2.211 1.00 15.00 C ATOM 603 O GLY B 213 -8.415 -3.128 -1.305 1.00 15.00 O ATOM 0 H GLY B 213 -8.757 -5.415 -3.102 1.00 15.00 H new ATOM 0 HA2 GLY B 213 -9.372 -2.835 -4.329 1.00 15.00 H new ATOM 0 HA3 GLY B 213 -10.431 -3.859 -3.380 1.00 15.00 H new ATOM 621 N PRO B 215 -9.552 -0.483 1.284 1.00 15.00 N ATOM 622 CA PRO B 215 -10.224 -0.816 2.537 1.00 15.00 C ATOM 623 C PRO B 215 -11.059 0.331 3.100 1.00 15.00 C ATOM 624 O PRO B 215 -10.640 1.486 3.126 1.00 15.00 O ATOM 625 CB PRO B 215 -9.030 -1.100 3.484 1.00 15.00 C ATOM 626 CG PRO B 215 -7.807 -1.010 2.630 1.00 15.00 C ATOM 627 CD PRO B 215 -8.178 -0.069 1.528 1.00 15.00 C ATOM 0 HA PRO B 215 -10.929 -1.638 2.411 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -8.994 -0.375 4.297 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -9.118 -2.086 3.940 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -6.955 -0.637 3.198 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -7.526 -1.987 2.238 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -8.107 0.975 1.832 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -7.545 -0.189 0.648 1.00 15.00 H new ATOM 635 N PHE B 216 -12.250 -0.022 3.560 1.00 15.00 N ATOM 636 CA PHE B 216 -13.188 0.935 4.124 1.00 15.00 C ATOM 637 C PHE B 216 -13.094 0.918 5.643 1.00 15.00 C ATOM 638 O PHE B 216 -13.822 1.631 6.333 1.00 15.00 O ATOM 639 CB PHE B 216 -14.618 0.603 3.687 1.00 15.00 C ATOM 640 CG PHE B 216 -14.820 0.634 2.200 1.00 15.00 C ATOM 641 CD1 PHE B 216 -14.670 -0.516 1.443 1.00 15.00 C ATOM 642 CD2 PHE B 216 -15.168 1.812 1.560 1.00 15.00 C ATOM 643 CE1 PHE B 216 -14.861 -0.491 0.076 1.00 15.00 C ATOM 644 CE2 PHE B 216 -15.359 1.843 0.192 1.00 15.00 C ATOM 645 CZ PHE B 216 -15.206 0.690 -0.551 1.00 15.00 C ATOM 0 H PHE B 216 -12.593 -0.982 3.552 1.00 15.00 H new ATOM 0 HA PHE B 216 -12.933 1.930 3.759 1.00 15.00 H new ATOM 0 HB2 PHE B 216 -14.881 -0.387 4.059 1.00 15.00 H new ATOM 0 HB3 PHE B 216 -15.304 1.311 4.152 1.00 15.00 H new ATOM 0 HD1 PHE B 216 -14.401 -1.443 1.928 1.00 15.00 H new ATOM 0 HD2 PHE B 216 -15.291 2.717 2.137 1.00 15.00 H new ATOM 0 HE1 PHE B 216 -14.741 -1.395 -0.503 1.00 15.00 H new ATOM 0 HE2 PHE B 216 -15.628 2.769 -0.295 1.00 15.00 H new ATOM 0 HZ PHE B 216 -15.356 0.711 -1.620 1.00 15.00 H new