USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 403 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 635 THR OG1 : rot -16:sc= 0.336 USER MOD Set 1.2: A 667 ASN :FLIP amide:sc= -12.8! C(o=-15!,f=-12!) USER MOD Single : A 632 THR OG1 : rot -28:sc= 0.245 USER MOD Single : A 641 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 649 GLN : amide:sc= 0.399 X(o=0.4,f=0) USER MOD Single : A 651 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 652 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 658 GLN : amide:sc= -0.105 X(o=-0.1,f=0) USER MOD Single : A 662 TYR OH : rot 180:sc= 0 USER MOD Single : A 663 CYS SG : rot 180:sc= 0.00588 USER MOD Single : A 668 GLN : amide:sc= -2.48 K(o=-2.5,f=-12!) USER MOD Single : A 670 SER OG : rot -160:sc= -0.156 USER MOD Single : A 675 SER OG : rot 107:sc= 0.999 USER MOD Single : A 677 ASN :FLIP amide:sc= 1.23 F(o=-0.3,f=1.2) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 632 -1.992 2.097 -6.371 1.00 0.00 N ATOM 83 CA THR A 632 -2.976 1.468 -5.470 1.00 0.00 C ATOM 84 C THR A 632 -3.076 -0.044 -5.678 1.00 0.00 C ATOM 85 O THR A 632 -3.188 -0.808 -4.717 1.00 0.00 O ATOM 86 CB THR A 632 -4.380 2.076 -5.657 1.00 0.00 C ATOM 87 OG1 THR A 632 -4.687 2.197 -7.052 1.00 0.00 O ATOM 88 CG2 THR A 632 -4.477 3.435 -4.989 1.00 0.00 C ATOM 0 HA THR A 632 -2.616 1.663 -4.460 1.00 0.00 H new ATOM 0 HB THR A 632 -5.102 1.408 -5.187 1.00 0.00 H new ATOM 0 HG1 THR A 632 -3.857 2.308 -7.561 1.00 0.00 H new ATOM 0 HG21 THR A 632 -5.477 3.842 -5.136 1.00 0.00 H new ATOM 0 HG22 THR A 632 -4.281 3.331 -3.922 1.00 0.00 H new ATOM 0 HG23 THR A 632 -3.743 4.110 -5.429 1.00 0.00 H new ATOM 96 N ARG A 633 -3.049 -0.456 -6.948 1.00 0.00 N ATOM 97 CA ARG A 633 -3.146 -1.866 -7.340 1.00 0.00 C ATOM 98 C ARG A 633 -2.070 -2.759 -6.706 1.00 0.00 C ATOM 99 O ARG A 633 -2.370 -3.878 -6.304 1.00 0.00 O ATOM 100 CB ARG A 633 -3.099 -1.996 -8.863 1.00 0.00 C ATOM 101 CG ARG A 633 -4.475 -1.958 -9.510 1.00 0.00 C ATOM 102 CD ARG A 633 -4.399 -2.168 -11.015 1.00 0.00 C ATOM 103 NE ARG A 633 -4.020 -0.942 -11.725 1.00 0.00 N ATOM 104 CZ ARG A 633 -4.456 -0.604 -12.947 1.00 0.00 C ATOM 105 NH1 ARG A 633 -5.292 -1.391 -13.623 1.00 0.00 N ATOM 106 NH2 ARG A 633 -4.053 0.534 -13.494 1.00 0.00 N ATOM 0 H ARG A 633 -2.959 0.182 -7.738 1.00 0.00 H new ATOM 0 HA ARG A 633 -4.105 -2.220 -6.961 1.00 0.00 H new ATOM 0 HB2 ARG A 633 -2.490 -1.189 -9.271 1.00 0.00 H new ATOM 0 HB3 ARG A 633 -2.606 -2.932 -9.126 1.00 0.00 H new ATOM 0 HG2 ARG A 633 -5.106 -2.729 -9.067 1.00 0.00 H new ATOM 0 HG3 ARG A 633 -4.949 -0.999 -9.301 1.00 0.00 H new ATOM 0 HD2 ARG A 633 -3.675 -2.952 -11.235 1.00 0.00 H new ATOM 0 HD3 ARG A 633 -5.365 -2.515 -11.381 1.00 0.00 H new ATOM 0 HE ARG A 633 -3.380 -0.301 -11.256 1.00 0.00 H new ATOM 0 HH11 ARG A 633 -5.612 -2.268 -13.212 1.00 0.00 H new ATOM 0 HH12 ARG A 633 -5.612 -1.116 -14.552 1.00 0.00 H new ATOM 0 HH21 ARG A 633 -3.415 1.146 -12.986 1.00 0.00 H new ATOM 0 HH22 ARG A 633 -4.381 0.797 -14.423 1.00 0.00 H new ATOM 120 N GLU A 634 -0.825 -2.257 -6.612 1.00 0.00 N ATOM 121 CA GLU A 634 0.295 -3.031 -6.084 1.00 0.00 C ATOM 122 C GLU A 634 0.199 -3.146 -4.573 1.00 0.00 C ATOM 123 O GLU A 634 0.459 -4.198 -3.993 1.00 0.00 O ATOM 124 CB GLU A 634 1.625 -2.378 -6.487 1.00 0.00 C ATOM 125 CG GLU A 634 1.990 -2.545 -7.961 1.00 0.00 C ATOM 126 CD GLU A 634 1.230 -1.596 -8.873 1.00 0.00 C ATOM 127 OE1 GLU A 634 1.724 -0.473 -9.104 1.00 0.00 O ATOM 128 OE2 GLU A 634 0.143 -1.979 -9.354 1.00 0.00 O ATOM 0 H GLU A 634 -0.576 -1.310 -6.899 1.00 0.00 H new ATOM 0 HA GLU A 634 0.254 -4.035 -6.507 1.00 0.00 H new ATOM 0 HB2 GLU A 634 1.578 -1.314 -6.255 1.00 0.00 H new ATOM 0 HB3 GLU A 634 2.423 -2.802 -5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 634 3.060 -2.380 -8.085 1.00 0.00 H new ATOM 0 HG3 GLU A 634 1.788 -3.572 -8.265 1.00 0.00 H new ATOM 135 N THR A 635 -0.192 -2.025 -3.968 1.00 0.00 N ATOM 136 CA THR A 635 -0.309 -1.875 -2.524 1.00 0.00 C ATOM 137 C THR A 635 -1.385 -2.757 -1.890 1.00 0.00 C ATOM 138 O THR A 635 -1.112 -3.483 -0.934 1.00 0.00 O ATOM 139 CB THR A 635 -0.550 -0.403 -2.169 1.00 0.00 C ATOM 140 OG1 THR A 635 -1.745 0.079 -2.795 1.00 0.00 O ATOM 141 CG2 THR A 635 0.641 0.427 -2.623 1.00 0.00 C ATOM 0 H THR A 635 -0.441 -1.180 -4.482 1.00 0.00 H new ATOM 0 HA THR A 635 0.638 -2.215 -2.105 1.00 0.00 H new ATOM 0 HB THR A 635 -0.668 -0.316 -1.089 1.00 0.00 H new ATOM 0 HG1 THR A 635 -2.011 -0.537 -3.510 1.00 0.00 H new ATOM 0 HG21 THR A 635 0.472 1.474 -2.372 1.00 0.00 H new ATOM 0 HG22 THR A 635 1.542 0.075 -2.122 1.00 0.00 H new ATOM 0 HG23 THR A 635 0.763 0.328 -3.702 1.00 0.00 H new ATOM 149 N GLU A 636 -2.609 -2.688 -2.408 1.00 0.00 N ATOM 150 CA GLU A 636 -3.699 -3.509 -1.880 1.00 0.00 C ATOM 151 C GLU A 636 -3.518 -4.987 -2.281 1.00 0.00 C ATOM 152 O GLU A 636 -3.783 -5.881 -1.481 1.00 0.00 O ATOM 153 CB GLU A 636 -5.083 -2.929 -2.224 1.00 0.00 C ATOM 154 CG GLU A 636 -5.360 -2.700 -3.711 1.00 0.00 C ATOM 155 CD GLU A 636 -6.130 -3.844 -4.341 1.00 0.00 C ATOM 156 OE1 GLU A 636 -5.489 -4.814 -4.794 1.00 0.00 O ATOM 157 OE2 GLU A 636 -7.376 -3.769 -4.382 1.00 0.00 O ATOM 0 H GLU A 636 -2.871 -2.080 -3.184 1.00 0.00 H new ATOM 0 HA GLU A 636 -3.652 -3.482 -0.791 1.00 0.00 H new ATOM 0 HB2 GLU A 636 -5.845 -3.602 -1.832 1.00 0.00 H new ATOM 0 HB3 GLU A 636 -5.197 -1.979 -1.702 1.00 0.00 H new ATOM 0 HG2 GLU A 636 -5.924 -1.775 -3.834 1.00 0.00 H new ATOM 0 HG3 GLU A 636 -4.415 -2.569 -4.237 1.00 0.00 H new ATOM 164 N ARG A 637 -3.064 -5.236 -3.522 1.00 0.00 N ATOM 165 CA ARG A 637 -2.805 -6.608 -4.003 1.00 0.00 C ATOM 166 C ARG A 637 -1.671 -7.283 -3.209 1.00 0.00 C ATOM 167 O ARG A 637 -1.772 -8.466 -2.880 1.00 0.00 O ATOM 168 CB ARG A 637 -2.461 -6.617 -5.493 1.00 0.00 C ATOM 169 CG ARG A 637 -3.679 -6.654 -6.405 1.00 0.00 C ATOM 170 CD ARG A 637 -3.284 -6.698 -7.875 1.00 0.00 C ATOM 171 NE ARG A 637 -2.769 -8.014 -8.275 1.00 0.00 N ATOM 172 CZ ARG A 637 -2.264 -8.302 -9.484 1.00 0.00 C ATOM 173 NH1 ARG A 637 -2.193 -7.377 -10.439 1.00 0.00 N ATOM 174 NH2 ARG A 637 -1.827 -9.528 -9.735 1.00 0.00 N ATOM 0 H ARG A 637 -2.869 -4.508 -4.210 1.00 0.00 H new ATOM 0 HA ARG A 637 -3.723 -7.175 -3.847 1.00 0.00 H new ATOM 0 HB2 ARG A 637 -1.872 -5.730 -5.726 1.00 0.00 H new ATOM 0 HB3 ARG A 637 -1.833 -7.482 -5.706 1.00 0.00 H new ATOM 0 HG2 ARG A 637 -4.286 -7.527 -6.165 1.00 0.00 H new ATOM 0 HG3 ARG A 637 -4.298 -5.776 -6.221 1.00 0.00 H new ATOM 0 HD2 ARG A 637 -4.149 -6.447 -8.489 1.00 0.00 H new ATOM 0 HD3 ARG A 637 -2.525 -5.940 -8.068 1.00 0.00 H new ATOM 0 HE ARG A 637 -2.797 -8.763 -7.583 1.00 0.00 H new ATOM 0 HH11 ARG A 637 -2.526 -6.430 -10.258 1.00 0.00 H new ATOM 0 HH12 ARG A 637 -1.806 -7.615 -11.352 1.00 0.00 H new ATOM 0 HH21 ARG A 637 -1.876 -10.245 -9.011 1.00 0.00 H new ATOM 0 HH22 ARG A 637 -1.442 -9.754 -10.652 1.00 0.00 H new ATOM 188 N LEU A 638 -0.592 -6.517 -2.908 1.00 0.00 N ATOM 189 CA LEU A 638 0.578 -7.025 -2.144 1.00 0.00 C ATOM 190 C LEU A 638 0.141 -7.655 -0.822 1.00 0.00 C ATOM 191 O LEU A 638 0.304 -8.844 -0.558 1.00 0.00 O ATOM 192 CB LEU A 638 1.570 -5.846 -1.805 1.00 0.00 C ATOM 193 CG LEU A 638 1.386 -5.184 -0.387 1.00 0.00 C ATOM 194 CD1 LEU A 638 2.247 -5.849 0.676 1.00 0.00 C ATOM 195 CD2 LEU A 638 1.633 -3.690 -0.366 1.00 0.00 C ATOM 0 H LEU A 638 -0.507 -5.539 -3.185 1.00 0.00 H new ATOM 0 HA LEU A 638 1.068 -7.772 -2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 638 2.591 -6.221 -1.881 1.00 0.00 H new ATOM 0 HB3 LEU A 638 1.458 -5.072 -2.564 1.00 0.00 H new ATOM 0 HG LEU A 638 0.333 -5.345 -0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 638 2.085 -5.357 1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 638 1.976 -6.902 0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 638 3.298 -5.765 0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 638 1.486 -3.311 0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 638 2.655 -3.486 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 638 0.936 -3.196 -1.043 1.00 0.00 H new ATOM 207 N ARG A 639 -0.429 -6.769 -0.033 1.00 0.00 N ATOM 208 CA ARG A 639 -0.868 -7.019 1.327 1.00 0.00 C ATOM 209 C ARG A 639 -2.064 -7.990 1.420 1.00 0.00 C ATOM 210 O ARG A 639 -2.094 -8.833 2.321 1.00 0.00 O ATOM 211 CB ARG A 639 -1.093 -5.638 2.004 1.00 0.00 C ATOM 212 CG ARG A 639 -1.642 -5.669 3.444 1.00 0.00 C ATOM 213 CD ARG A 639 -0.778 -6.492 4.399 1.00 0.00 C ATOM 214 NE ARG A 639 -1.262 -6.417 5.782 1.00 0.00 N ATOM 215 CZ ARG A 639 -0.726 -7.082 6.815 1.00 0.00 C ATOM 216 NH1 ARG A 639 0.323 -7.887 6.649 1.00 0.00 N ATOM 217 NH2 ARG A 639 -1.246 -6.938 8.026 1.00 0.00 N ATOM 0 H ARG A 639 -0.608 -5.811 -0.334 1.00 0.00 H new ATOM 0 HA ARG A 639 -0.098 -7.558 1.878 1.00 0.00 H new ATOM 0 HB2 ARG A 639 -0.145 -5.101 2.010 1.00 0.00 H new ATOM 0 HB3 ARG A 639 -1.782 -5.062 1.387 1.00 0.00 H new ATOM 0 HG2 ARG A 639 -1.717 -4.649 3.820 1.00 0.00 H new ATOM 0 HG3 ARG A 639 -2.652 -6.079 3.432 1.00 0.00 H new ATOM 0 HD2 ARG A 639 -0.769 -7.532 4.074 1.00 0.00 H new ATOM 0 HD3 ARG A 639 0.251 -6.135 4.355 1.00 0.00 H new ATOM 0 HE ARG A 639 -2.064 -5.816 5.971 1.00 0.00 H new ATOM 0 HH11 ARG A 639 0.733 -8.006 5.723 1.00 0.00 H new ATOM 0 HH12 ARG A 639 0.716 -8.384 7.448 1.00 0.00 H new ATOM 0 HH21 ARG A 639 -2.049 -6.324 8.167 1.00 0.00 H new ATOM 0 HH22 ARG A 639 -0.844 -7.441 8.817 1.00 0.00 H new ATOM 231 N ARG A 640 -3.034 -7.874 0.502 1.00 0.00 N ATOM 232 CA ARG A 640 -4.218 -8.755 0.508 1.00 0.00 C ATOM 233 C ARG A 640 -3.877 -10.228 0.212 1.00 0.00 C ATOM 234 O ARG A 640 -4.342 -11.118 0.930 1.00 0.00 O ATOM 235 CB ARG A 640 -5.271 -8.258 -0.485 1.00 0.00 C ATOM 236 CG ARG A 640 -6.111 -7.108 0.046 1.00 0.00 C ATOM 237 CD ARG A 640 -7.164 -6.673 -0.961 1.00 0.00 C ATOM 238 NE ARG A 640 -7.984 -5.567 -0.455 1.00 0.00 N ATOM 239 CZ ARG A 640 -9.094 -5.106 -1.048 1.00 0.00 C ATOM 240 NH1 ARG A 640 -9.544 -5.644 -2.181 1.00 0.00 N ATOM 241 NH2 ARG A 640 -9.759 -4.099 -0.500 1.00 0.00 N ATOM 0 H ARG A 640 -3.026 -7.185 -0.250 1.00 0.00 H new ATOM 0 HA ARG A 640 -4.620 -8.714 1.520 1.00 0.00 H new ATOM 0 HB2 ARG A 640 -4.773 -7.941 -1.401 1.00 0.00 H new ATOM 0 HB3 ARG A 640 -5.929 -9.086 -0.749 1.00 0.00 H new ATOM 0 HG2 ARG A 640 -6.597 -7.410 0.974 1.00 0.00 H new ATOM 0 HG3 ARG A 640 -5.464 -6.264 0.285 1.00 0.00 H new ATOM 0 HD2 ARG A 640 -6.676 -6.369 -1.887 1.00 0.00 H new ATOM 0 HD3 ARG A 640 -7.806 -7.520 -1.203 1.00 0.00 H new ATOM 0 HE ARG A 640 -7.688 -5.116 0.411 1.00 0.00 H new ATOM 0 HH11 ARG A 640 -9.042 -6.420 -2.612 1.00 0.00 H new ATOM 0 HH12 ARG A 640 -10.391 -5.280 -2.618 1.00 0.00 H new ATOM 0 HH21 ARG A 640 -9.425 -3.680 0.368 1.00 0.00 H new ATOM 0 HH22 ARG A 640 -10.604 -3.743 -0.946 1.00 0.00 H new ATOM 255 N GLN A 641 -3.069 -10.488 -0.840 1.00 0.00 N ATOM 256 CA GLN A 641 -2.703 -11.872 -1.211 1.00 0.00 C ATOM 257 C GLN A 641 -1.278 -11.994 -1.772 1.00 0.00 C ATOM 258 O GLN A 641 -0.575 -12.962 -1.467 1.00 0.00 O ATOM 259 CB GLN A 641 -3.694 -12.434 -2.244 1.00 0.00 C ATOM 260 CG GLN A 641 -5.036 -12.837 -1.654 1.00 0.00 C ATOM 261 CD GLN A 641 -5.995 -13.372 -2.699 1.00 0.00 C ATOM 262 OE1 GLN A 641 -6.030 -14.573 -2.969 1.00 0.00 O ATOM 263 NE2 GLN A 641 -6.779 -12.481 -3.294 1.00 0.00 N ATOM 0 H GLN A 641 -2.663 -9.769 -1.439 1.00 0.00 H new ATOM 0 HA GLN A 641 -2.745 -12.449 -0.287 1.00 0.00 H new ATOM 0 HB2 GLN A 641 -3.859 -11.686 -3.019 1.00 0.00 H new ATOM 0 HB3 GLN A 641 -3.246 -13.302 -2.728 1.00 0.00 H new ATOM 0 HG2 GLN A 641 -4.879 -13.596 -0.888 1.00 0.00 H new ATOM 0 HG3 GLN A 641 -5.486 -11.975 -1.161 1.00 0.00 H new ATOM 0 HE21 GLN A 641 -6.716 -11.495 -3.039 1.00 0.00 H new ATOM 0 HE22 GLN A 641 -7.444 -12.782 -4.006 1.00 0.00 H new ATOM 272 N LEU A 642 -0.859 -11.014 -2.587 1.00 0.00 N ATOM 273 CA LEU A 642 0.472 -11.014 -3.229 1.00 0.00 C ATOM 274 C LEU A 642 1.628 -10.832 -2.217 1.00 0.00 C ATOM 275 O LEU A 642 1.451 -11.082 -1.022 1.00 0.00 O ATOM 276 CB LEU A 642 0.503 -9.925 -4.321 1.00 0.00 C ATOM 277 CG LEU A 642 0.213 -10.408 -5.752 1.00 0.00 C ATOM 278 CD1 LEU A 642 -1.278 -10.651 -5.966 1.00 0.00 C ATOM 279 CD2 LEU A 642 0.736 -9.401 -6.765 1.00 0.00 C ATOM 0 H LEU A 642 -1.428 -10.201 -2.821 1.00 0.00 H new ATOM 0 HA LEU A 642 0.631 -11.993 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 642 -0.225 -9.156 -4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 642 1.485 -9.452 -4.309 1.00 0.00 H new ATOM 0 HG LEU A 642 0.730 -11.357 -5.896 1.00 0.00 H new ATOM 0 HD11 LEU A 642 -1.448 -10.991 -6.987 1.00 0.00 H new ATOM 0 HD12 LEU A 642 -1.627 -11.411 -5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 642 -1.826 -9.724 -5.796 1.00 0.00 H new ATOM 0 HD21 LEU A 642 0.524 -9.756 -7.774 1.00 0.00 H new ATOM 0 HD22 LEU A 642 0.247 -8.440 -6.608 1.00 0.00 H new ATOM 0 HD23 LEU A 642 1.813 -9.285 -6.640 1.00 0.00 H new ATOM 291 N LEU A 643 2.811 -10.416 -2.713 1.00 0.00 N ATOM 292 CA LEU A 643 4.001 -10.212 -1.872 1.00 0.00 C ATOM 293 C LEU A 643 3.947 -8.860 -1.124 1.00 0.00 C ATOM 294 O LEU A 643 2.937 -8.555 -0.488 1.00 0.00 O ATOM 295 CB LEU A 643 5.274 -10.332 -2.735 1.00 0.00 C ATOM 296 CG LEU A 643 5.560 -11.727 -3.308 1.00 0.00 C ATOM 297 CD1 LEU A 643 4.872 -11.915 -4.654 1.00 0.00 C ATOM 298 CD2 LEU A 643 7.059 -11.949 -3.440 1.00 0.00 C ATOM 0 H LEU A 643 2.965 -10.214 -3.701 1.00 0.00 H new ATOM 0 HA LEU A 643 4.023 -10.989 -1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 643 5.197 -9.628 -3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 643 6.129 -10.024 -2.133 1.00 0.00 H new ATOM 0 HG LEU A 643 5.158 -12.467 -2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 643 5.091 -12.911 -5.038 1.00 0.00 H new ATOM 0 HD12 LEU A 643 3.795 -11.802 -4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 643 5.238 -11.167 -5.357 1.00 0.00 H new ATOM 0 HD21 LEU A 643 7.245 -12.943 -3.848 1.00 0.00 H new ATOM 0 HD22 LEU A 643 7.481 -11.198 -4.108 1.00 0.00 H new ATOM 0 HD23 LEU A 643 7.527 -11.866 -2.459 1.00 0.00 H new ATOM 310 N GLU A 644 5.035 -8.067 -1.193 1.00 0.00 N ATOM 311 CA GLU A 644 5.116 -6.766 -0.514 1.00 0.00 C ATOM 312 C GLU A 644 5.705 -5.705 -1.462 1.00 0.00 C ATOM 313 O GLU A 644 6.890 -5.358 -1.350 1.00 0.00 O ATOM 314 CB GLU A 644 5.969 -6.922 0.761 1.00 0.00 C ATOM 315 CG GLU A 644 5.200 -7.487 1.945 1.00 0.00 C ATOM 316 CD GLU A 644 6.058 -7.615 3.189 1.00 0.00 C ATOM 317 OE1 GLU A 644 6.174 -6.620 3.934 1.00 0.00 O ATOM 318 OE2 GLU A 644 6.614 -8.710 3.417 1.00 0.00 O ATOM 0 H GLU A 644 5.875 -8.311 -1.718 1.00 0.00 H new ATOM 0 HA GLU A 644 4.119 -6.429 -0.230 1.00 0.00 H new ATOM 0 HB2 GLU A 644 6.815 -7.574 0.544 1.00 0.00 H new ATOM 0 HB3 GLU A 644 6.378 -5.950 1.035 1.00 0.00 H new ATOM 0 HG2 GLU A 644 4.347 -6.843 2.161 1.00 0.00 H new ATOM 0 HG3 GLU A 644 4.801 -8.466 1.681 1.00 0.00 H new ATOM 325 N VAL A 645 4.889 -5.194 -2.416 1.00 0.00 N ATOM 326 CA VAL A 645 5.450 -4.278 -3.433 1.00 0.00 C ATOM 327 C VAL A 645 5.706 -2.772 -3.033 1.00 0.00 C ATOM 328 O VAL A 645 6.827 -2.456 -2.608 1.00 0.00 O ATOM 329 CB VAL A 645 4.484 -4.353 -4.667 1.00 0.00 C ATOM 330 CG1 VAL A 645 4.885 -3.385 -5.783 1.00 0.00 C ATOM 331 CG2 VAL A 645 4.437 -5.772 -5.229 1.00 0.00 C ATOM 0 H VAL A 645 3.891 -5.388 -2.501 1.00 0.00 H new ATOM 0 HA VAL A 645 6.465 -4.627 -3.621 1.00 0.00 H new ATOM 0 HB VAL A 645 3.498 -4.063 -4.305 1.00 0.00 H new ATOM 0 HG11 VAL A 645 4.185 -3.477 -6.613 1.00 0.00 H new ATOM 0 HG12 VAL A 645 4.866 -2.364 -5.403 1.00 0.00 H new ATOM 0 HG13 VAL A 645 5.891 -3.625 -6.129 1.00 0.00 H new ATOM 0 HG21 VAL A 645 3.762 -5.803 -6.084 1.00 0.00 H new ATOM 0 HG22 VAL A 645 5.436 -6.071 -5.545 1.00 0.00 H new ATOM 0 HG23 VAL A 645 4.080 -6.456 -4.460 1.00 0.00 H new ATOM 341 N PHE A 646 4.666 -1.877 -3.049 1.00 0.00 N ATOM 342 CA PHE A 646 4.845 -0.452 -2.688 1.00 0.00 C ATOM 343 C PHE A 646 4.730 -0.269 -1.211 1.00 0.00 C ATOM 344 O PHE A 646 5.654 0.131 -0.509 1.00 0.00 O ATOM 345 CB PHE A 646 3.872 0.474 -3.425 1.00 0.00 C ATOM 346 CG PHE A 646 4.457 1.124 -4.649 1.00 0.00 C ATOM 347 CD1 PHE A 646 5.197 2.293 -4.546 1.00 0.00 C ATOM 348 CD2 PHE A 646 4.265 0.567 -5.903 1.00 0.00 C ATOM 349 CE1 PHE A 646 5.734 2.891 -5.670 1.00 0.00 C ATOM 350 CE2 PHE A 646 4.799 1.161 -7.030 1.00 0.00 C ATOM 351 CZ PHE A 646 5.535 2.324 -6.914 1.00 0.00 C ATOM 0 H PHE A 646 3.711 -2.125 -3.307 1.00 0.00 H new ATOM 0 HA PHE A 646 5.848 -0.169 -3.007 1.00 0.00 H new ATOM 0 HB2 PHE A 646 2.991 -0.098 -3.716 1.00 0.00 H new ATOM 0 HB3 PHE A 646 3.535 1.251 -2.739 1.00 0.00 H new ATOM 0 HD1 PHE A 646 5.355 2.741 -3.576 1.00 0.00 H new ATOM 0 HD2 PHE A 646 3.691 -0.343 -6.001 1.00 0.00 H new ATOM 0 HE1 PHE A 646 6.309 3.801 -5.576 1.00 0.00 H new ATOM 0 HE2 PHE A 646 4.641 0.716 -8.001 1.00 0.00 H new ATOM 0 HZ PHE A 646 5.954 2.789 -7.794 1.00 0.00 H new ATOM 361 N TRP A 647 3.508 -0.595 -0.796 1.00 0.00 N ATOM 362 CA TRP A 647 3.041 -0.566 0.548 1.00 0.00 C ATOM 363 C TRP A 647 3.829 -1.646 1.301 1.00 0.00 C ATOM 364 O TRP A 647 4.226 -1.462 2.422 1.00 0.00 O ATOM 365 CB TRP A 647 1.489 -0.739 0.458 1.00 0.00 C ATOM 366 CG TRP A 647 0.688 -0.827 1.740 1.00 0.00 C ATOM 367 CD1 TRP A 647 -0.299 0.041 2.117 1.00 0.00 C ATOM 368 CD2 TRP A 647 0.737 -1.836 2.773 1.00 0.00 C ATOM 369 NE1 TRP A 647 -0.830 -0.331 3.324 1.00 0.00 N ATOM 370 CE2 TRP A 647 -0.220 -1.478 3.746 1.00 0.00 C ATOM 371 CE3 TRP A 647 1.493 -2.992 2.988 1.00 0.00 C ATOM 372 CZ2 TRP A 647 -0.433 -2.231 4.898 1.00 0.00 C ATOM 373 CZ3 TRP A 647 1.274 -3.738 4.129 1.00 0.00 C ATOM 374 CH2 TRP A 647 0.320 -3.354 5.072 1.00 0.00 C ATOM 0 H TRP A 647 2.787 -0.904 -1.448 1.00 0.00 H new ATOM 0 HA TRP A 647 3.207 0.353 1.111 1.00 0.00 H new ATOM 0 HB2 TRP A 647 1.097 0.098 -0.119 1.00 0.00 H new ATOM 0 HB3 TRP A 647 1.291 -1.643 -0.117 1.00 0.00 H new ATOM 0 HD1 TRP A 647 -0.616 0.900 1.544 1.00 0.00 H new ATOM 0 HE1 TRP A 647 -1.563 0.169 3.827 1.00 0.00 H new ATOM 0 HE3 TRP A 647 2.240 -3.298 2.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 647 -1.170 -1.935 5.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 647 1.852 -4.635 4.295 1.00 0.00 H new ATOM 0 HH2 TRP A 647 0.175 -3.957 5.956 1.00 0.00 H new ATOM 385 N GLY A 648 4.094 -2.756 0.624 1.00 0.00 N ATOM 386 CA GLY A 648 4.822 -3.879 1.199 1.00 0.00 C ATOM 387 C GLY A 648 6.217 -3.602 1.755 1.00 0.00 C ATOM 388 O GLY A 648 6.457 -3.895 2.926 1.00 0.00 O ATOM 0 H GLY A 648 3.808 -2.903 -0.344 1.00 0.00 H new ATOM 0 HA2 GLY A 648 4.216 -4.297 2.003 1.00 0.00 H new ATOM 0 HA3 GLY A 648 4.912 -4.650 0.433 1.00 0.00 H new ATOM 392 N GLN A 649 7.131 -3.063 0.915 1.00 0.00 N ATOM 393 CA GLN A 649 8.551 -2.792 1.299 1.00 0.00 C ATOM 394 C GLN A 649 8.770 -2.289 2.760 1.00 0.00 C ATOM 395 O GLN A 649 8.984 -1.098 3.004 1.00 0.00 O ATOM 396 CB GLN A 649 9.176 -1.814 0.295 1.00 0.00 C ATOM 397 CG GLN A 649 9.575 -2.462 -1.022 1.00 0.00 C ATOM 398 CD GLN A 649 10.179 -1.472 -1.999 1.00 0.00 C ATOM 399 OE1 GLN A 649 11.390 -1.257 -2.013 1.00 0.00 O ATOM 400 NE2 GLN A 649 9.333 -0.863 -2.822 1.00 0.00 N ATOM 0 H GLN A 649 6.914 -2.802 -0.047 1.00 0.00 H new ATOM 0 HA GLN A 649 9.051 -3.760 1.268 1.00 0.00 H new ATOM 0 HB2 GLN A 649 8.467 -1.011 0.094 1.00 0.00 H new ATOM 0 HB3 GLN A 649 10.057 -1.357 0.746 1.00 0.00 H new ATOM 0 HG2 GLN A 649 10.293 -3.259 -0.828 1.00 0.00 H new ATOM 0 HG3 GLN A 649 8.699 -2.925 -1.475 1.00 0.00 H new ATOM 0 HE21 GLN A 649 8.336 -1.072 -2.775 1.00 0.00 H new ATOM 0 HE22 GLN A 649 9.680 -0.186 -3.501 1.00 0.00 H new ATOM 409 N ASP A 650 8.742 -3.247 3.720 1.00 0.00 N ATOM 410 CA ASP A 650 8.943 -3.006 5.181 1.00 0.00 C ATOM 411 C ASP A 650 8.253 -1.721 5.711 1.00 0.00 C ATOM 412 O ASP A 650 7.034 -1.708 5.899 1.00 0.00 O ATOM 413 CB ASP A 650 10.446 -3.013 5.525 1.00 0.00 C ATOM 414 CG ASP A 650 11.064 -4.394 5.406 1.00 0.00 C ATOM 415 OD1 ASP A 650 11.058 -5.135 6.411 1.00 0.00 O ATOM 416 OD2 ASP A 650 11.553 -4.733 4.308 1.00 0.00 O ATOM 0 H ASP A 650 8.576 -4.229 3.502 1.00 0.00 H new ATOM 0 HA ASP A 650 8.450 -3.831 5.696 1.00 0.00 H new ATOM 0 HB2 ASP A 650 10.970 -2.326 4.861 1.00 0.00 H new ATOM 0 HB3 ASP A 650 10.584 -2.643 6.541 1.00 0.00 H new ATOM 421 N HIS A 651 9.049 -0.654 5.954 1.00 0.00 N ATOM 422 CA HIS A 651 8.555 0.655 6.448 1.00 0.00 C ATOM 423 C HIS A 651 7.439 1.206 5.554 1.00 0.00 C ATOM 424 O HIS A 651 6.442 1.744 6.034 1.00 0.00 O ATOM 425 CB HIS A 651 9.706 1.665 6.533 1.00 0.00 C ATOM 426 CG HIS A 651 10.702 1.357 7.610 1.00 0.00 C ATOM 427 ND1 HIS A 651 10.700 1.984 8.839 1.00 0.00 N ATOM 428 CD2 HIS A 651 11.736 0.482 7.638 1.00 0.00 C ATOM 429 CE1 HIS A 651 11.689 1.509 9.575 1.00 0.00 C ATOM 430 NE2 HIS A 651 12.332 0.597 8.869 1.00 0.00 N ATOM 0 H HIS A 651 10.059 -0.676 5.812 1.00 0.00 H new ATOM 0 HA HIS A 651 8.144 0.498 7.445 1.00 0.00 H new ATOM 0 HB2 HIS A 651 10.221 1.697 5.573 1.00 0.00 H new ATOM 0 HB3 HIS A 651 9.293 2.659 6.706 1.00 0.00 H new ATOM 0 HD2 HIS A 651 12.035 -0.182 6.841 1.00 0.00 H new ATOM 0 HE1 HIS A 651 11.930 1.815 10.582 1.00 0.00 H new ATOM 0 HE2 HIS A 651 13.141 0.064 9.187 1.00 0.00 H new ATOM 439 N LYS A 652 7.633 0.990 4.251 1.00 0.00 N ATOM 440 CA LYS A 652 6.744 1.413 3.155 1.00 0.00 C ATOM 441 C LYS A 652 5.257 1.089 3.381 1.00 0.00 C ATOM 442 O LYS A 652 4.394 1.819 2.890 1.00 0.00 O ATOM 443 CB LYS A 652 7.207 0.809 1.832 1.00 0.00 C ATOM 444 CG LYS A 652 8.456 1.470 1.254 1.00 0.00 C ATOM 445 CD LYS A 652 8.233 1.921 -0.180 1.00 0.00 C ATOM 446 CE LYS A 652 9.486 2.550 -0.767 1.00 0.00 C ATOM 447 NZ LYS A 652 9.271 3.023 -2.162 1.00 0.00 N ATOM 0 H LYS A 652 8.454 0.491 3.910 1.00 0.00 H new ATOM 0 HA LYS A 652 6.817 2.500 3.126 1.00 0.00 H new ATOM 0 HB2 LYS A 652 7.404 -0.253 1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 652 6.398 0.886 1.106 1.00 0.00 H new ATOM 0 HG2 LYS A 652 8.732 2.327 1.868 1.00 0.00 H new ATOM 0 HG3 LYS A 652 9.290 0.769 1.291 1.00 0.00 H new ATOM 0 HD2 LYS A 652 7.934 1.068 -0.789 1.00 0.00 H new ATOM 0 HD3 LYS A 652 7.414 2.639 -0.213 1.00 0.00 H new ATOM 0 HE2 LYS A 652 9.797 3.388 -0.144 1.00 0.00 H new ATOM 0 HE3 LYS A 652 10.298 1.823 -0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 652 10.150 3.445 -2.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 652 8.999 2.219 -2.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 652 8.514 3.736 -2.174 1.00 0.00 H new ATOM 461 N VAL A 653 4.971 -0.013 4.102 1.00 0.00 N ATOM 462 CA VAL A 653 3.587 -0.536 4.290 1.00 0.00 C ATOM 463 C VAL A 653 2.584 0.571 4.637 1.00 0.00 C ATOM 464 O VAL A 653 1.692 0.844 3.852 1.00 0.00 O ATOM 465 CB VAL A 653 3.564 -1.677 5.383 1.00 0.00 C ATOM 466 CG1 VAL A 653 4.338 -2.905 4.913 1.00 0.00 C ATOM 467 CG2 VAL A 653 4.127 -1.226 6.737 1.00 0.00 C ATOM 0 H VAL A 653 5.684 -0.570 4.572 1.00 0.00 H new ATOM 0 HA VAL A 653 3.274 -0.959 3.335 1.00 0.00 H new ATOM 0 HB VAL A 653 2.512 -1.927 5.522 1.00 0.00 H new ATOM 0 HG11 VAL A 653 4.305 -3.673 5.685 1.00 0.00 H new ATOM 0 HG12 VAL A 653 3.888 -3.290 3.998 1.00 0.00 H new ATOM 0 HG13 VAL A 653 5.375 -2.630 4.719 1.00 0.00 H new ATOM 0 HG21 VAL A 653 4.083 -2.055 7.444 1.00 0.00 H new ATOM 0 HG22 VAL A 653 5.163 -0.909 6.613 1.00 0.00 H new ATOM 0 HG23 VAL A 653 3.536 -0.393 7.118 1.00 0.00 H new ATOM 477 N ASP A 654 2.715 1.175 5.786 1.00 0.00 N ATOM 478 CA ASP A 654 1.919 2.333 6.165 1.00 0.00 C ATOM 479 C ASP A 654 2.479 3.597 5.488 1.00 0.00 C ATOM 480 O ASP A 654 1.760 4.546 5.167 1.00 0.00 O ATOM 481 CB ASP A 654 1.729 2.467 7.675 1.00 0.00 C ATOM 482 CG ASP A 654 3.022 2.387 8.475 1.00 0.00 C ATOM 483 OD1 ASP A 654 3.648 3.445 8.697 1.00 0.00 O ATOM 484 OD2 ASP A 654 3.403 1.268 8.878 1.00 0.00 O ATOM 0 H ASP A 654 3.382 0.882 6.500 1.00 0.00 H new ATOM 0 HA ASP A 654 0.905 2.187 5.793 1.00 0.00 H new ATOM 0 HB2 ASP A 654 1.243 3.419 7.886 1.00 0.00 H new ATOM 0 HB3 ASP A 654 1.054 1.682 8.016 1.00 0.00 H new ATOM 489 N PHE A 655 3.810 3.542 5.300 1.00 0.00 N ATOM 490 CA PHE A 655 4.658 4.641 4.819 1.00 0.00 C ATOM 491 C PHE A 655 4.204 5.230 3.515 1.00 0.00 C ATOM 492 O PHE A 655 4.387 6.433 3.313 1.00 0.00 O ATOM 493 CB PHE A 655 6.126 4.248 4.739 1.00 0.00 C ATOM 494 CG PHE A 655 6.999 4.986 5.718 1.00 0.00 C ATOM 495 CD1 PHE A 655 7.209 4.488 6.995 1.00 0.00 C ATOM 496 CD2 PHE A 655 7.610 6.178 5.360 1.00 0.00 C ATOM 497 CE1 PHE A 655 8.010 5.165 7.895 1.00 0.00 C ATOM 498 CE2 PHE A 655 8.412 6.859 6.256 1.00 0.00 C ATOM 499 CZ PHE A 655 8.612 6.352 7.525 1.00 0.00 C ATOM 0 H PHE A 655 4.344 2.693 5.488 1.00 0.00 H new ATOM 0 HA PHE A 655 4.550 5.421 5.573 1.00 0.00 H new ATOM 0 HB2 PHE A 655 6.217 3.177 4.918 1.00 0.00 H new ATOM 0 HB3 PHE A 655 6.489 4.434 3.728 1.00 0.00 H new ATOM 0 HD1 PHE A 655 6.741 3.560 7.290 1.00 0.00 H new ATOM 0 HD2 PHE A 655 7.457 6.579 4.369 1.00 0.00 H new ATOM 0 HE1 PHE A 655 8.165 4.766 8.887 1.00 0.00 H new ATOM 0 HE2 PHE A 655 8.882 7.787 5.964 1.00 0.00 H new ATOM 0 HZ PHE A 655 9.238 6.883 8.227 1.00 0.00 H new ATOM 509 N ILE A 656 3.645 4.402 2.602 1.00 0.00 N ATOM 510 CA ILE A 656 3.203 4.938 1.309 1.00 0.00 C ATOM 511 C ILE A 656 2.480 6.270 1.539 1.00 0.00 C ATOM 512 O ILE A 656 2.963 7.312 1.089 1.00 0.00 O ATOM 513 CB ILE A 656 2.192 4.008 0.504 1.00 0.00 C ATOM 514 CG1 ILE A 656 1.639 2.803 1.278 1.00 0.00 C ATOM 515 CG2 ILE A 656 2.852 3.497 -0.767 1.00 0.00 C ATOM 516 CD1 ILE A 656 0.944 3.164 2.552 1.00 0.00 C ATOM 0 H ILE A 656 3.496 3.402 2.734 1.00 0.00 H new ATOM 0 HA ILE A 656 4.113 5.029 0.716 1.00 0.00 H new ATOM 0 HB ILE A 656 1.339 4.654 0.295 1.00 0.00 H new ATOM 0 HG12 ILE A 656 0.943 2.261 0.637 1.00 0.00 H new ATOM 0 HG13 ILE A 656 2.460 2.122 1.504 1.00 0.00 H new ATOM 0 HG21 ILE A 656 2.152 2.862 -1.310 1.00 0.00 H new ATOM 0 HG22 ILE A 656 3.137 4.342 -1.394 1.00 0.00 H new ATOM 0 HG23 ILE A 656 3.740 2.920 -0.509 1.00 0.00 H new ATOM 0 HD11 ILE A 656 0.583 2.258 3.039 1.00 0.00 H new ATOM 0 HD12 ILE A 656 1.641 3.678 3.214 1.00 0.00 H new ATOM 0 HD13 ILE A 656 0.101 3.819 2.333 1.00 0.00 H new ATOM 528 N LEU A 657 1.416 6.257 2.330 1.00 0.00 N ATOM 529 CA LEU A 657 0.626 7.459 2.602 1.00 0.00 C ATOM 530 C LEU A 657 1.448 8.612 3.221 1.00 0.00 C ATOM 531 O LEU A 657 1.476 9.712 2.663 1.00 0.00 O ATOM 532 CB LEU A 657 -0.576 7.046 3.467 1.00 0.00 C ATOM 533 CG LEU A 657 -1.392 8.171 4.148 1.00 0.00 C ATOM 534 CD1 LEU A 657 -2.866 7.810 4.211 1.00 0.00 C ATOM 535 CD2 LEU A 657 -0.871 8.435 5.555 1.00 0.00 C ATOM 0 H LEU A 657 1.074 5.419 2.801 1.00 0.00 H new ATOM 0 HA LEU A 657 0.274 7.876 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 657 -1.257 6.469 2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 657 -0.214 6.375 4.246 1.00 0.00 H new ATOM 0 HG LEU A 657 -1.276 9.074 3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 657 -3.418 8.617 4.694 1.00 0.00 H new ATOM 0 HD12 LEU A 657 -3.248 7.663 3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 657 -2.991 6.891 4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 657 -1.458 9.229 6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 657 -0.957 7.527 6.151 1.00 0.00 H new ATOM 0 HD23 LEU A 657 0.175 8.739 5.505 1.00 0.00 H new ATOM 547 N GLN A 658 2.117 8.351 4.362 1.00 0.00 N ATOM 548 CA GLN A 658 2.932 9.364 5.077 1.00 0.00 C ATOM 549 C GLN A 658 2.114 10.631 5.414 1.00 0.00 C ATOM 550 O GLN A 658 1.471 10.677 6.466 1.00 0.00 O ATOM 551 CB GLN A 658 4.220 9.718 4.296 1.00 0.00 C ATOM 552 CG GLN A 658 5.438 8.898 4.703 1.00 0.00 C ATOM 553 CD GLN A 658 6.085 9.392 5.986 1.00 0.00 C ATOM 554 OE1 GLN A 658 6.984 10.232 5.958 1.00 0.00 O ATOM 555 NE2 GLN A 658 5.626 8.872 7.118 1.00 0.00 N ATOM 0 H GLN A 658 2.110 7.437 4.815 1.00 0.00 H new ATOM 0 HA GLN A 658 3.235 8.914 6.022 1.00 0.00 H new ATOM 0 HB2 GLN A 658 4.038 9.574 3.231 1.00 0.00 H new ATOM 0 HB3 GLN A 658 4.442 10.775 4.442 1.00 0.00 H new ATOM 0 HG2 GLN A 658 5.142 7.857 4.829 1.00 0.00 H new ATOM 0 HG3 GLN A 658 6.173 8.925 3.898 1.00 0.00 H new ATOM 0 HE21 GLN A 658 4.879 8.178 7.094 1.00 0.00 H new ATOM 0 HE22 GLN A 658 6.020 9.167 8.011 1.00 0.00 H new ATOM 564 N ARG A 659 2.136 11.652 4.520 1.00 0.00 N ATOM 565 CA ARG A 659 1.390 12.913 4.736 1.00 0.00 C ATOM 566 C ARG A 659 1.417 13.845 3.510 1.00 0.00 C ATOM 567 O ARG A 659 0.698 14.851 3.493 1.00 0.00 O ATOM 568 CB ARG A 659 1.946 13.683 5.950 1.00 0.00 C ATOM 569 CG ARG A 659 1.066 13.596 7.186 1.00 0.00 C ATOM 570 CD ARG A 659 1.652 14.385 8.346 1.00 0.00 C ATOM 571 NE ARG A 659 0.809 14.311 9.544 1.00 0.00 N ATOM 572 CZ ARG A 659 1.046 14.971 10.688 1.00 0.00 C ATOM 573 NH1 ARG A 659 2.104 15.770 10.816 1.00 0.00 N ATOM 574 NH2 ARG A 659 0.214 14.828 11.710 1.00 0.00 N ATOM 0 H ARG A 659 2.661 11.625 3.646 1.00 0.00 H new ATOM 0 HA ARG A 659 0.357 12.616 4.917 1.00 0.00 H new ATOM 0 HB2 ARG A 659 2.936 13.296 6.192 1.00 0.00 H new ATOM 0 HB3 ARG A 659 2.071 14.731 5.678 1.00 0.00 H new ATOM 0 HG2 ARG A 659 0.071 13.975 6.953 1.00 0.00 H new ATOM 0 HG3 ARG A 659 0.949 12.552 7.477 1.00 0.00 H new ATOM 0 HD2 ARG A 659 2.646 14.003 8.578 1.00 0.00 H new ATOM 0 HD3 ARG A 659 1.772 15.428 8.051 1.00 0.00 H new ATOM 0 HE ARG A 659 -0.017 13.714 9.505 1.00 0.00 H new ATOM 0 HH11 ARG A 659 2.751 15.889 10.036 1.00 0.00 H new ATOM 0 HH12 ARG A 659 2.267 16.263 11.694 1.00 0.00 H new ATOM 0 HH21 ARG A 659 -0.600 14.219 11.624 1.00 0.00 H new ATOM 0 HH22 ARG A 659 0.388 15.327 12.583 1.00 0.00 H new ATOM 588 N GLU A 660 2.223 13.517 2.487 1.00 0.00 N ATOM 589 CA GLU A 660 2.334 14.379 1.299 1.00 0.00 C ATOM 590 C GLU A 660 1.853 13.720 -0.018 1.00 0.00 C ATOM 591 O GLU A 660 1.060 14.344 -0.729 1.00 0.00 O ATOM 592 CB GLU A 660 3.771 14.894 1.141 1.00 0.00 C ATOM 593 CG GLU A 660 4.097 16.067 2.051 1.00 0.00 C ATOM 594 CD GLU A 660 5.534 16.529 1.914 1.00 0.00 C ATOM 595 OE1 GLU A 660 6.406 15.967 2.610 1.00 0.00 O ATOM 596 OE2 GLU A 660 5.789 17.451 1.112 1.00 0.00 O ATOM 0 H GLU A 660 2.799 12.675 2.457 1.00 0.00 H new ATOM 0 HA GLU A 660 1.655 15.212 1.479 1.00 0.00 H new ATOM 0 HB2 GLU A 660 4.465 14.080 1.348 1.00 0.00 H new ATOM 0 HB3 GLU A 660 3.930 15.193 0.105 1.00 0.00 H new ATOM 0 HG2 GLU A 660 3.429 16.897 1.821 1.00 0.00 H new ATOM 0 HG3 GLU A 660 3.908 15.783 3.086 1.00 0.00 H new ATOM 603 N PRO A 661 2.294 12.469 -0.391 1.00 0.00 N ATOM 604 CA PRO A 661 1.873 11.830 -1.660 1.00 0.00 C ATOM 605 C PRO A 661 0.444 11.275 -1.613 1.00 0.00 C ATOM 606 O PRO A 661 0.079 10.569 -0.672 1.00 0.00 O ATOM 607 CB PRO A 661 2.888 10.689 -1.856 1.00 0.00 C ATOM 608 CG PRO A 661 3.897 10.839 -0.761 1.00 0.00 C ATOM 609 CD PRO A 661 3.207 11.573 0.348 1.00 0.00 C ATOM 0 HA PRO A 661 1.861 12.552 -2.477 1.00 0.00 H new ATOM 0 HB2 PRO A 661 2.397 9.717 -1.803 1.00 0.00 H new ATOM 0 HB3 PRO A 661 3.363 10.754 -2.835 1.00 0.00 H new ATOM 0 HG2 PRO A 661 4.251 9.865 -0.422 1.00 0.00 H new ATOM 0 HG3 PRO A 661 4.770 11.392 -1.109 1.00 0.00 H new ATOM 0 HD2 PRO A 661 2.666 10.896 1.009 1.00 0.00 H new ATOM 0 HD3 PRO A 661 3.910 12.129 0.967 1.00 0.00 H new ATOM 617 N TYR A 662 -0.348 11.608 -2.648 1.00 0.00 N ATOM 618 CA TYR A 662 -1.756 11.181 -2.761 1.00 0.00 C ATOM 619 C TYR A 662 -1.910 9.689 -3.107 1.00 0.00 C ATOM 620 O TYR A 662 -2.677 8.976 -2.454 1.00 0.00 O ATOM 621 CB TYR A 662 -2.485 12.037 -3.805 1.00 0.00 C ATOM 622 CG TYR A 662 -2.644 13.489 -3.404 1.00 0.00 C ATOM 623 CD1 TYR A 662 -1.663 14.425 -3.707 1.00 0.00 C ATOM 624 CD2 TYR A 662 -3.773 13.921 -2.719 1.00 0.00 C ATOM 625 CE1 TYR A 662 -1.803 15.750 -3.341 1.00 0.00 C ATOM 626 CE2 TYR A 662 -3.920 15.244 -2.350 1.00 0.00 C ATOM 627 CZ TYR A 662 -2.933 16.154 -2.663 1.00 0.00 C ATOM 628 OH TYR A 662 -3.076 17.473 -2.296 1.00 0.00 O ATOM 0 H TYR A 662 -0.031 12.181 -3.430 1.00 0.00 H new ATOM 0 HA TYR A 662 -2.205 11.326 -1.779 1.00 0.00 H new ATOM 0 HB2 TYR A 662 -1.938 11.988 -4.747 1.00 0.00 H new ATOM 0 HB3 TYR A 662 -3.471 11.610 -3.986 1.00 0.00 H new ATOM 0 HD1 TYR A 662 -0.776 14.112 -4.238 1.00 0.00 H new ATOM 0 HD2 TYR A 662 -4.548 13.211 -2.471 1.00 0.00 H new ATOM 0 HE1 TYR A 662 -1.031 16.465 -3.585 1.00 0.00 H new ATOM 0 HE2 TYR A 662 -4.804 15.564 -1.819 1.00 0.00 H new ATOM 0 HH TYR A 662 -3.928 17.592 -1.827 1.00 0.00 H new ATOM 638 N CYS A 663 -1.177 9.223 -4.134 1.00 0.00 N ATOM 639 CA CYS A 663 -1.234 7.815 -4.584 1.00 0.00 C ATOM 640 C CYS A 663 -0.876 6.836 -3.456 1.00 0.00 C ATOM 641 O CYS A 663 -1.531 5.800 -3.278 1.00 0.00 O ATOM 642 CB CYS A 663 -0.296 7.606 -5.776 1.00 0.00 C ATOM 643 SG CYS A 663 -0.622 8.707 -7.173 1.00 0.00 S ATOM 0 H CYS A 663 -0.534 9.803 -4.673 1.00 0.00 H new ATOM 0 HA CYS A 663 -2.261 7.608 -4.886 1.00 0.00 H new ATOM 0 HB2 CYS A 663 0.732 7.751 -5.445 1.00 0.00 H new ATOM 0 HB3 CYS A 663 -0.380 6.573 -6.114 1.00 0.00 H new ATOM 0 HG CYS A 663 0.222 8.456 -8.129 1.00 0.00 H new ATOM 649 N ARG A 664 0.151 7.203 -2.681 1.00 0.00 N ATOM 650 CA ARG A 664 0.636 6.413 -1.561 1.00 0.00 C ATOM 651 C ARG A 664 -0.379 6.523 -0.424 1.00 0.00 C ATOM 652 O ARG A 664 -0.646 5.560 0.298 1.00 0.00 O ATOM 653 CB ARG A 664 2.038 6.874 -1.149 1.00 0.00 C ATOM 654 CG ARG A 664 3.060 6.896 -2.285 1.00 0.00 C ATOM 655 CD ARG A 664 4.487 6.924 -1.759 1.00 0.00 C ATOM 656 NE ARG A 664 5.461 7.186 -2.823 1.00 0.00 N ATOM 657 CZ ARG A 664 6.792 7.178 -2.658 1.00 0.00 C ATOM 658 NH1 ARG A 664 7.338 6.921 -1.470 1.00 0.00 N ATOM 659 NH2 ARG A 664 7.581 7.431 -3.692 1.00 0.00 N ATOM 0 H ARG A 664 0.670 8.070 -2.822 1.00 0.00 H new ATOM 0 HA ARG A 664 0.731 5.363 -1.839 1.00 0.00 H new ATOM 0 HB2 ARG A 664 1.966 7.875 -0.723 1.00 0.00 H new ATOM 0 HB3 ARG A 664 2.405 6.217 -0.360 1.00 0.00 H new ATOM 0 HG2 ARG A 664 2.922 6.018 -2.915 1.00 0.00 H new ATOM 0 HG3 ARG A 664 2.887 7.770 -2.913 1.00 0.00 H new ATOM 0 HD2 ARG A 664 4.575 7.692 -0.990 1.00 0.00 H new ATOM 0 HD3 ARG A 664 4.717 5.970 -1.284 1.00 0.00 H new ATOM 0 HE ARG A 664 5.101 7.389 -3.755 1.00 0.00 H new ATOM 0 HH11 ARG A 664 6.741 6.726 -0.666 1.00 0.00 H new ATOM 0 HH12 ARG A 664 8.353 6.919 -1.365 1.00 0.00 H new ATOM 0 HH21 ARG A 664 7.175 7.630 -4.606 1.00 0.00 H new ATOM 0 HH22 ARG A 664 8.594 7.427 -3.574 1.00 0.00 H new ATOM 673 N ASP A 665 -0.918 7.748 -0.288 1.00 0.00 N ATOM 674 CA ASP A 665 -1.966 8.102 0.680 1.00 0.00 C ATOM 675 C ASP A 665 -3.145 7.132 0.606 1.00 0.00 C ATOM 676 O ASP A 665 -3.736 6.796 1.620 1.00 0.00 O ATOM 677 CB ASP A 665 -2.458 9.536 0.445 1.00 0.00 C ATOM 678 CG ASP A 665 -2.997 10.189 1.706 1.00 0.00 C ATOM 679 OD1 ASP A 665 -2.195 10.781 2.458 1.00 0.00 O ATOM 680 OD2 ASP A 665 -4.222 10.109 1.940 1.00 0.00 O ATOM 0 H ASP A 665 -0.628 8.538 -0.864 1.00 0.00 H new ATOM 0 HA ASP A 665 -1.527 8.033 1.675 1.00 0.00 H new ATOM 0 HB2 ASP A 665 -1.637 10.137 0.053 1.00 0.00 H new ATOM 0 HB3 ASP A 665 -3.238 9.527 -0.316 1.00 0.00 H new ATOM 685 N ILE A 666 -3.448 6.683 -0.617 1.00 0.00 N ATOM 686 CA ILE A 666 -4.605 5.832 -0.884 1.00 0.00 C ATOM 687 C ILE A 666 -4.286 4.436 -0.406 1.00 0.00 C ATOM 688 O ILE A 666 -5.129 3.727 0.093 1.00 0.00 O ATOM 689 CB ILE A 666 -5.017 5.819 -2.397 1.00 0.00 C ATOM 690 CG1 ILE A 666 -5.077 7.251 -3.008 1.00 0.00 C ATOM 691 CG2 ILE A 666 -6.356 5.094 -2.605 1.00 0.00 C ATOM 692 CD1 ILE A 666 -5.991 8.250 -2.296 1.00 0.00 C ATOM 0 H ILE A 666 -2.896 6.901 -1.447 1.00 0.00 H new ATOM 0 HA ILE A 666 -5.462 6.237 -0.346 1.00 0.00 H new ATOM 0 HB ILE A 666 -4.237 5.270 -2.924 1.00 0.00 H new ATOM 0 HG12 ILE A 666 -4.067 7.660 -3.022 1.00 0.00 H new ATOM 0 HG13 ILE A 666 -5.402 7.168 -4.045 1.00 0.00 H new ATOM 0 HG21 ILE A 666 -6.614 5.102 -3.664 1.00 0.00 H new ATOM 0 HG22 ILE A 666 -6.269 4.063 -2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 666 -7.136 5.601 -2.038 1.00 0.00 H new ATOM 0 HD11 ILE A 666 -5.951 9.210 -2.810 1.00 0.00 H new ATOM 0 HD12 ILE A 666 -7.015 7.876 -2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 666 -5.659 8.376 -1.265 1.00 0.00 H new ATOM 704 N ASN A 667 -3.044 4.060 -0.646 1.00 0.00 N ATOM 705 CA ASN A 667 -2.503 2.758 -0.288 1.00 0.00 C ATOM 706 C ASN A 667 -2.659 2.399 1.217 1.00 0.00 C ATOM 707 O ASN A 667 -3.279 1.392 1.517 1.00 0.00 O ATOM 708 CB ASN A 667 -1.062 2.728 -0.748 1.00 0.00 C ATOM 709 CG ASN A 667 -0.914 3.057 -2.234 1.00 0.00 C ATOM 710 OD1 ASN A 667 0.247 3.573 -2.613 1.00 0.00 O flip ATOM 711 ND2 ASN A 667 -1.827 2.837 -3.034 1.00 0.00 N flip ATOM 0 H ASN A 667 -2.365 4.665 -1.107 1.00 0.00 H new ATOM 0 HA ASN A 667 -3.081 1.982 -0.791 1.00 0.00 H new ATOM 0 HB2 ASN A 667 -0.482 3.441 -0.162 1.00 0.00 H new ATOM 0 HB3 ASN A 667 -0.643 1.741 -0.554 1.00 0.00 H new ATOM 0 HD21 ASN A 667 -2.707 2.439 -2.706 1.00 0.00 H new ATOM 0 HD22 ASN A 667 -1.702 3.053 -4.023 1.00 0.00 H new ATOM 718 N GLN A 668 -2.105 3.196 2.167 1.00 0.00 N ATOM 719 CA GLN A 668 -2.287 2.907 3.629 1.00 0.00 C ATOM 720 C GLN A 668 -3.760 3.061 3.952 1.00 0.00 C ATOM 721 O GLN A 668 -4.355 2.264 4.676 1.00 0.00 O ATOM 722 CB GLN A 668 -1.488 3.889 4.512 1.00 0.00 C ATOM 723 CG GLN A 668 -1.294 3.497 5.976 1.00 0.00 C ATOM 724 CD GLN A 668 -2.451 3.928 6.858 1.00 0.00 C ATOM 725 OE1 GLN A 668 -3.423 3.196 7.032 1.00 0.00 O ATOM 726 NE2 GLN A 668 -2.348 5.126 7.423 1.00 0.00 N ATOM 0 H GLN A 668 -1.543 4.023 1.964 1.00 0.00 H new ATOM 0 HA GLN A 668 -1.926 1.899 3.833 1.00 0.00 H new ATOM 0 HB2 GLN A 668 -0.504 4.026 4.064 1.00 0.00 H new ATOM 0 HB3 GLN A 668 -1.989 4.857 4.483 1.00 0.00 H new ATOM 0 HG2 GLN A 668 -1.173 2.416 6.045 1.00 0.00 H new ATOM 0 HG3 GLN A 668 -0.373 3.945 6.348 1.00 0.00 H new ATOM 0 HE21 GLN A 668 -1.523 5.701 7.252 1.00 0.00 H new ATOM 0 HE22 GLN A 668 -3.093 5.470 8.028 1.00 0.00 H new ATOM 735 N LEU A 669 -4.318 4.114 3.364 1.00 0.00 N ATOM 736 CA LEU A 669 -5.709 4.474 3.495 1.00 0.00 C ATOM 737 C LEU A 669 -6.604 3.298 3.091 1.00 0.00 C ATOM 738 O LEU A 669 -7.292 2.715 3.929 1.00 0.00 O ATOM 739 CB LEU A 669 -5.927 5.681 2.581 1.00 0.00 C ATOM 740 CG LEU A 669 -6.851 6.783 3.119 1.00 0.00 C ATOM 741 CD1 LEU A 669 -6.509 8.119 2.478 1.00 0.00 C ATOM 742 CD2 LEU A 669 -8.315 6.438 2.864 1.00 0.00 C ATOM 0 H LEU A 669 -3.792 4.753 2.768 1.00 0.00 H new ATOM 0 HA LEU A 669 -5.966 4.721 4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 669 -4.956 6.125 2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 669 -6.334 5.325 1.635 1.00 0.00 H new ATOM 0 HG LEU A 669 -6.699 6.858 4.196 1.00 0.00 H new ATOM 0 HD11 LEU A 669 -7.172 8.891 2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 669 -5.475 8.379 2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 669 -6.634 8.047 1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 669 -8.950 7.234 3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 669 -8.483 6.333 1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 669 -8.560 5.501 3.363 1.00 0.00 H new ATOM 754 N SER A 670 -6.509 2.911 1.816 1.00 0.00 N ATOM 755 CA SER A 670 -7.280 1.796 1.269 1.00 0.00 C ATOM 756 C SER A 670 -6.751 0.444 1.758 1.00 0.00 C ATOM 757 O SER A 670 -7.519 -0.344 2.309 1.00 0.00 O ATOM 758 CB SER A 670 -7.296 1.836 -0.264 1.00 0.00 C ATOM 759 OG SER A 670 -7.877 3.038 -0.737 1.00 0.00 O ATOM 0 H SER A 670 -5.896 3.362 1.137 1.00 0.00 H new ATOM 0 HA SER A 670 -8.302 1.907 1.632 1.00 0.00 H new ATOM 0 HB2 SER A 670 -6.278 1.746 -0.644 1.00 0.00 H new ATOM 0 HB3 SER A 670 -7.855 0.983 -0.647 1.00 0.00 H new ATOM 0 HG SER A 670 -8.166 2.918 -1.666 1.00 0.00 H new ATOM 765 N GLU A 671 -5.440 0.171 1.564 1.00 0.00 N ATOM 766 CA GLU A 671 -4.872 -1.113 1.980 1.00 0.00 C ATOM 767 C GLU A 671 -4.689 -1.241 3.503 1.00 0.00 C ATOM 768 O GLU A 671 -5.335 -2.105 4.106 1.00 0.00 O ATOM 769 CB GLU A 671 -3.562 -1.419 1.225 1.00 0.00 C ATOM 770 CG GLU A 671 -2.920 -2.772 1.560 1.00 0.00 C ATOM 771 CD GLU A 671 -3.890 -3.954 1.513 1.00 0.00 C ATOM 772 OE1 GLU A 671 -4.853 -3.973 2.307 1.00 0.00 O ATOM 773 OE2 GLU A 671 -3.670 -4.868 0.701 1.00 0.00 O ATOM 0 H GLU A 671 -4.776 0.813 1.131 1.00 0.00 H new ATOM 0 HA GLU A 671 -5.608 -1.869 1.706 1.00 0.00 H new ATOM 0 HB2 GLU A 671 -3.761 -1.384 0.154 1.00 0.00 H new ATOM 0 HB3 GLU A 671 -2.843 -0.629 1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 671 -2.104 -2.958 0.861 1.00 0.00 H new ATOM 0 HG3 GLU A 671 -2.480 -2.716 2.556 1.00 0.00 H new ATOM 780 N ALA A 672 -3.825 -0.409 4.139 1.00 0.00 N ATOM 781 CA ALA A 672 -3.625 -0.528 5.601 1.00 0.00 C ATOM 782 C ALA A 672 -4.905 -0.401 6.460 1.00 0.00 C ATOM 783 O ALA A 672 -5.055 -1.158 7.423 1.00 0.00 O ATOM 784 CB ALA A 672 -2.578 0.442 6.084 1.00 0.00 C ATOM 0 H ALA A 672 -3.278 0.321 3.684 1.00 0.00 H new ATOM 0 HA ALA A 672 -3.284 -1.554 5.743 1.00 0.00 H new ATOM 0 HB1 ALA A 672 -2.451 0.334 7.161 1.00 0.00 H new ATOM 0 HB2 ALA A 672 -1.632 0.235 5.584 1.00 0.00 H new ATOM 0 HB3 ALA A 672 -2.893 1.460 5.857 1.00 0.00 H new ATOM 790 N LEU A 673 -5.826 0.533 6.134 1.00 0.00 N ATOM 791 CA LEU A 673 -7.049 0.717 6.948 1.00 0.00 C ATOM 792 C LEU A 673 -8.065 -0.423 6.784 1.00 0.00 C ATOM 793 O LEU A 673 -8.657 -0.865 7.772 1.00 0.00 O ATOM 794 CB LEU A 673 -7.721 2.060 6.635 1.00 0.00 C ATOM 795 CG LEU A 673 -7.660 3.116 7.750 1.00 0.00 C ATOM 796 CD1 LEU A 673 -6.329 3.860 7.733 1.00 0.00 C ATOM 797 CD2 LEU A 673 -8.814 4.097 7.610 1.00 0.00 C ATOM 0 H LEU A 673 -5.750 1.158 5.332 1.00 0.00 H new ATOM 0 HA LEU A 673 -6.719 0.706 7.987 1.00 0.00 H new ATOM 0 HB2 LEU A 673 -7.258 2.477 5.741 1.00 0.00 H new ATOM 0 HB3 LEU A 673 -8.768 1.873 6.394 1.00 0.00 H new ATOM 0 HG LEU A 673 -7.746 2.601 8.707 1.00 0.00 H new ATOM 0 HD11 LEU A 673 -6.316 4.600 8.533 1.00 0.00 H new ATOM 0 HD12 LEU A 673 -5.514 3.151 7.881 1.00 0.00 H new ATOM 0 HD13 LEU A 673 -6.204 4.361 6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 673 -8.759 4.840 8.406 1.00 0.00 H new ATOM 0 HD22 LEU A 673 -8.752 4.596 6.643 1.00 0.00 H new ATOM 0 HD23 LEU A 673 -9.759 3.559 7.680 1.00 0.00 H new ATOM 809 N LEU A 674 -8.261 -0.899 5.543 1.00 0.00 N ATOM 810 CA LEU A 674 -9.224 -1.981 5.254 1.00 0.00 C ATOM 811 C LEU A 674 -8.822 -3.320 5.888 1.00 0.00 C ATOM 812 O LEU A 674 -9.676 -4.035 6.418 1.00 0.00 O ATOM 813 CB LEU A 674 -9.398 -2.157 3.739 1.00 0.00 C ATOM 814 CG LEU A 674 -10.670 -1.541 3.133 1.00 0.00 C ATOM 815 CD1 LEU A 674 -10.505 -0.042 2.905 1.00 0.00 C ATOM 816 CD2 LEU A 674 -11.023 -2.239 1.828 1.00 0.00 C ATOM 0 H LEU A 674 -7.766 -0.553 4.721 1.00 0.00 H new ATOM 0 HA LEU A 674 -10.171 -1.680 5.702 1.00 0.00 H new ATOM 0 HB2 LEU A 674 -8.533 -1.720 3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 674 -9.391 -3.223 3.513 1.00 0.00 H new ATOM 0 HG LEU A 674 -11.485 -1.684 3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 674 -11.421 0.364 2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 674 -10.301 0.450 3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 674 -9.675 0.133 2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 674 -11.925 -1.793 1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 674 -10.201 -2.126 1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 674 -11.196 -3.298 2.017 1.00 0.00 H new ATOM 828 N SER A 675 -7.523 -3.650 5.830 1.00 0.00 N ATOM 829 CA SER A 675 -7.001 -4.910 6.386 1.00 0.00 C ATOM 830 C SER A 675 -6.988 -4.916 7.922 1.00 0.00 C ATOM 831 O SER A 675 -7.336 -5.925 8.542 1.00 0.00 O ATOM 832 CB SER A 675 -5.590 -5.176 5.855 1.00 0.00 C ATOM 833 OG SER A 675 -5.604 -5.389 4.454 1.00 0.00 O ATOM 0 H SER A 675 -6.811 -3.059 5.402 1.00 0.00 H new ATOM 0 HA SER A 675 -7.675 -5.704 6.063 1.00 0.00 H new ATOM 0 HB2 SER A 675 -4.944 -4.330 6.091 1.00 0.00 H new ATOM 0 HB3 SER A 675 -5.169 -6.048 6.354 1.00 0.00 H new ATOM 0 HG SER A 675 -5.232 -4.604 4.000 1.00 0.00 H new ATOM 839 N LEU A 676 -6.584 -3.785 8.523 1.00 0.00 N ATOM 840 CA LEU A 676 -6.510 -3.648 9.987 1.00 0.00 C ATOM 841 C LEU A 676 -7.895 -3.549 10.645 1.00 0.00 C ATOM 842 O LEU A 676 -8.130 -4.164 11.689 1.00 0.00 O ATOM 843 CB LEU A 676 -5.660 -2.412 10.364 1.00 0.00 C ATOM 844 CG LEU A 676 -4.123 -2.603 10.475 1.00 0.00 C ATOM 845 CD1 LEU A 676 -3.750 -3.515 11.641 1.00 0.00 C ATOM 846 CD2 LEU A 676 -3.518 -3.128 9.172 1.00 0.00 C ATOM 0 H LEU A 676 -6.302 -2.947 8.014 1.00 0.00 H new ATOM 0 HA LEU A 676 -6.037 -4.554 10.366 1.00 0.00 H new ATOM 0 HB2 LEU A 676 -5.849 -1.635 9.623 1.00 0.00 H new ATOM 0 HB3 LEU A 676 -6.022 -2.035 11.321 1.00 0.00 H new ATOM 0 HG LEU A 676 -3.701 -1.617 10.667 1.00 0.00 H new ATOM 0 HD11 LEU A 676 -2.666 -3.624 11.685 1.00 0.00 H new ATOM 0 HD12 LEU A 676 -4.109 -3.079 12.573 1.00 0.00 H new ATOM 0 HD13 LEU A 676 -4.208 -4.494 11.498 1.00 0.00 H new ATOM 0 HD21 LEU A 676 -2.441 -3.247 9.293 1.00 0.00 H new ATOM 0 HD22 LEU A 676 -3.965 -4.091 8.926 1.00 0.00 H new ATOM 0 HD23 LEU A 676 -3.716 -2.420 8.367 1.00 0.00 H new ATOM 858 N ASN A 677 -8.803 -2.774 10.028 1.00 0.00 N ATOM 859 CA ASN A 677 -10.165 -2.581 10.553 1.00 0.00 C ATOM 860 C ASN A 677 -11.043 -3.829 10.375 1.00 0.00 C ATOM 861 O ASN A 677 -11.662 -4.294 11.337 1.00 0.00 O ATOM 862 CB ASN A 677 -10.827 -1.368 9.891 1.00 0.00 C ATOM 863 CG ASN A 677 -10.299 -0.053 10.432 1.00 0.00 C ATOM 864 OD1 ASN A 677 -10.933 0.451 11.484 1.00 0.00 O flip ATOM 865 ND2 ASN A 677 -9.332 0.503 9.912 1.00 0.00 N flip ATOM 0 H ASN A 677 -8.617 -2.269 9.161 1.00 0.00 H new ATOM 0 HA ASN A 677 -10.072 -2.401 11.624 1.00 0.00 H new ATOM 0 HB2 ASN A 677 -10.659 -1.408 8.815 1.00 0.00 H new ATOM 0 HB3 ASN A 677 -11.905 -1.415 10.047 1.00 0.00 H new ATOM 0 HD21 ASN A 677 -8.874 0.080 9.104 1.00 0.00 H new ATOM 0 HD22 ASN A 677 -8.988 1.386 10.289 1.00 0.00 H new ATOM 872 N PHE A 678 -11.089 -4.363 9.142 1.00 0.00 N ATOM 873 CA PHE A 678 -11.890 -5.556 8.826 1.00 0.00 C ATOM 874 C PHE A 678 -11.259 -6.828 9.412 1.00 0.00 C ATOM 875 O PHE A 678 -11.914 -7.475 10.256 1.00 0.00 O ATOM 876 CB PHE A 678 -12.064 -5.692 7.306 1.00 0.00 C ATOM 877 CG PHE A 678 -13.317 -6.420 6.896 1.00 0.00 C ATOM 878 CD1 PHE A 678 -13.313 -7.796 6.734 1.00 0.00 C ATOM 879 CD2 PHE A 678 -14.495 -5.726 6.674 1.00 0.00 C ATOM 880 CE1 PHE A 678 -14.462 -8.467 6.358 1.00 0.00 C ATOM 881 CE2 PHE A 678 -15.647 -6.391 6.297 1.00 0.00 C ATOM 882 CZ PHE A 678 -15.630 -7.763 6.140 1.00 0.00 C ATOM 883 OXT PHE A 678 -10.115 -7.157 9.028 1.00 0.00 O ATOM 0 H PHE A 678 -10.578 -3.984 8.345 1.00 0.00 H new ATOM 0 HA PHE A 678 -12.871 -5.433 9.284 1.00 0.00 H new ATOM 0 HB2 PHE A 678 -12.072 -4.697 6.861 1.00 0.00 H new ATOM 0 HB3 PHE A 678 -11.201 -6.217 6.897 1.00 0.00 H new ATOM 0 HD1 PHE A 678 -12.402 -8.351 6.903 1.00 0.00 H new ATOM 0 HD2 PHE A 678 -14.514 -4.653 6.797 1.00 0.00 H new ATOM 0 HE1 PHE A 678 -14.446 -9.540 6.235 1.00 0.00 H new ATOM 0 HE2 PHE A 678 -16.559 -5.838 6.126 1.00 0.00 H new ATOM 0 HZ PHE A 678 -16.529 -8.285 5.847 1.00 0.00 H new