USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 325 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 731 GLN : amide:sc= -2.11 K(o=-9.2,f=-18!) USER MOD Set 1.2: A 737 ASN :FLIP amide:sc= -7.06! C(o=-13!,f=-9.2!) USER MOD Single : A 735 LYS NZ :NH3+ 170:sc= 1.02 (180deg=0.795) USER MOD Single : A 743 GLN :FLIP amide:sc= -2.27 F(o=-3.4!,f=-2.3) USER MOD Single : A 746 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0458) USER MOD Single : A 748 LYS NZ :NH3+ 170:sc= -0.0264 (180deg=-0.153) USER MOD Single : A 750 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 751 THR OG1 : rot -88:sc= -0.203 USER MOD Single : A 760 THR OG1 : rot 70:sc= 1.19 USER MOD Single : A 761 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 762 TYR OH : rot 180:sc= 0 USER MOD Single : A 764 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 768 GLN :FLIP amide:sc= -1.08 F(o=-4.8!,f=-1.1) USER MOD Single : A 771 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N LEU A 729 -7.951 10.977 0.818 1.00 0.00 N ATOM 69 CA LEU A 729 -7.649 11.924 1.893 1.00 0.00 C ATOM 70 C LEU A 729 -6.626 11.368 2.897 1.00 0.00 C ATOM 71 O LEU A 729 -5.449 11.348 2.601 1.00 0.00 O ATOM 72 CB LEU A 729 -8.931 12.464 2.577 1.00 0.00 C ATOM 73 CG LEU A 729 -8.730 13.649 3.549 1.00 0.00 C ATOM 74 CD1 LEU A 729 -8.030 14.803 2.852 1.00 0.00 C ATOM 75 CD2 LEU A 729 -10.060 14.127 4.083 1.00 0.00 C ATOM 0 HA LEU A 729 -7.170 12.784 1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 729 -9.632 12.771 1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 729 -9.400 11.646 3.124 1.00 0.00 H new ATOM 0 HG LEU A 729 -8.111 13.300 4.376 1.00 0.00 H new ATOM 0 HD11 LEU A 729 -7.899 15.626 3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 729 -7.055 14.474 2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 729 -8.633 15.138 2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 729 -9.899 14.961 4.766 1.00 0.00 H new ATOM 0 HD22 LEU A 729 -10.689 14.452 3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 729 -10.552 13.313 4.615 1.00 0.00 H new ATOM 87 N ARG A 730 -7.059 10.967 4.104 1.00 0.00 N ATOM 88 CA ARG A 730 -6.149 10.489 5.110 1.00 0.00 C ATOM 89 C ARG A 730 -5.546 9.117 4.767 1.00 0.00 C ATOM 90 O ARG A 730 -4.409 8.814 5.124 1.00 0.00 O ATOM 91 CB ARG A 730 -6.835 10.497 6.471 1.00 0.00 C ATOM 92 CG ARG A 730 -8.161 9.749 6.563 1.00 0.00 C ATOM 93 CD ARG A 730 -8.711 9.794 7.989 1.00 0.00 C ATOM 94 NE ARG A 730 -10.013 9.129 8.106 1.00 0.00 N ATOM 95 CZ ARG A 730 -10.573 8.763 9.265 1.00 0.00 C ATOM 96 NH1 ARG A 730 -9.973 9.059 10.407 1.00 0.00 N ATOM 97 NH2 ARG A 730 -11.727 8.105 9.268 1.00 0.00 N ATOM 0 H ARG A 730 -8.038 10.972 4.389 1.00 0.00 H new ATOM 0 HA ARG A 730 -5.300 11.171 5.146 1.00 0.00 H new ATOM 0 HB2 ARG A 730 -6.149 10.069 7.202 1.00 0.00 H new ATOM 0 HB3 ARG A 730 -7.006 11.533 6.762 1.00 0.00 H new ATOM 0 HG2 ARG A 730 -8.882 10.192 5.876 1.00 0.00 H new ATOM 0 HG3 ARG A 730 -8.022 8.713 6.255 1.00 0.00 H new ATOM 0 HD2 ARG A 730 -8.001 9.318 8.665 1.00 0.00 H new ATOM 0 HD3 ARG A 730 -8.806 10.832 8.306 1.00 0.00 H new ATOM 0 HE ARG A 730 -10.526 8.932 7.247 1.00 0.00 H new ATOM 0 HH11 ARG A 730 -9.087 9.564 10.402 1.00 0.00 H new ATOM 0 HH12 ARG A 730 -10.397 8.782 11.292 1.00 0.00 H new ATOM 0 HH21 ARG A 730 -12.187 7.878 8.386 1.00 0.00 H new ATOM 0 HH22 ARG A 730 -12.153 7.826 10.152 1.00 0.00 H new ATOM 111 N GLN A 731 -6.311 8.316 4.074 1.00 0.00 N ATOM 112 CA GLN A 731 -5.883 7.005 3.606 1.00 0.00 C ATOM 113 C GLN A 731 -5.197 7.171 2.258 1.00 0.00 C ATOM 114 O GLN A 731 -4.385 6.358 1.829 1.00 0.00 O ATOM 115 CB GLN A 731 -7.106 6.097 3.538 1.00 0.00 C ATOM 116 CG GLN A 731 -6.877 4.667 3.030 1.00 0.00 C ATOM 117 CD GLN A 731 -5.821 3.893 3.758 1.00 0.00 C ATOM 118 OE1 GLN A 731 -5.153 3.077 3.169 1.00 0.00 O ATOM 119 NE2 GLN A 731 -5.711 4.075 5.034 1.00 0.00 N ATOM 0 H GLN A 731 -7.267 8.551 3.809 1.00 0.00 H new ATOM 0 HA GLN A 731 -5.165 6.544 4.284 1.00 0.00 H new ATOM 0 HB2 GLN A 731 -7.541 6.038 4.536 1.00 0.00 H new ATOM 0 HB3 GLN A 731 -7.847 6.572 2.895 1.00 0.00 H new ATOM 0 HG2 GLN A 731 -7.817 4.120 3.097 1.00 0.00 H new ATOM 0 HG3 GLN A 731 -6.609 4.712 1.974 1.00 0.00 H new ATOM 0 HE21 GLN A 731 -6.290 4.773 5.501 1.00 0.00 H new ATOM 0 HE22 GLN A 731 -5.045 3.521 5.573 1.00 0.00 H new ATOM 128 N GLY A 732 -5.557 8.239 1.613 1.00 0.00 N ATOM 129 CA GLY A 732 -4.995 8.598 0.320 1.00 0.00 C ATOM 130 C GLY A 732 -3.626 9.197 0.474 1.00 0.00 C ATOM 131 O GLY A 732 -2.809 9.175 -0.447 1.00 0.00 O ATOM 0 H GLY A 732 -6.253 8.899 1.961 1.00 0.00 H new ATOM 0 HA2 GLY A 732 -4.939 7.713 -0.314 1.00 0.00 H new ATOM 0 HA3 GLY A 732 -5.652 9.309 -0.181 1.00 0.00 H new ATOM 135 N GLY A 733 -3.381 9.736 1.644 1.00 0.00 N ATOM 136 CA GLY A 733 -2.117 10.346 1.943 1.00 0.00 C ATOM 137 C GLY A 733 -1.909 10.423 3.416 1.00 0.00 C ATOM 138 O GLY A 733 -2.545 11.238 4.100 1.00 0.00 O ATOM 0 H GLY A 733 -4.053 9.762 2.411 1.00 0.00 H new ATOM 0 HA2 GLY A 733 -1.312 9.771 1.486 1.00 0.00 H new ATOM 0 HA3 GLY A 733 -2.078 11.346 1.512 1.00 0.00 H new ATOM 142 N GLY A 734 -1.078 9.555 3.926 1.00 0.00 N ATOM 143 CA GLY A 734 -0.837 9.500 5.346 1.00 0.00 C ATOM 144 C GLY A 734 -0.356 8.143 5.728 1.00 0.00 C ATOM 145 O GLY A 734 0.813 7.965 6.075 1.00 0.00 O ATOM 0 H GLY A 734 -0.553 8.873 3.379 1.00 0.00 H new ATOM 0 HA2 GLY A 734 -0.097 10.250 5.627 1.00 0.00 H new ATOM 0 HA3 GLY A 734 -1.753 9.736 5.888 1.00 0.00 H new ATOM 149 N LYS A 735 -1.210 7.154 5.547 1.00 0.00 N ATOM 150 CA LYS A 735 -0.829 5.784 5.748 1.00 0.00 C ATOM 151 C LYS A 735 -1.597 4.981 4.725 1.00 0.00 C ATOM 152 O LYS A 735 -2.639 5.459 4.259 1.00 0.00 O ATOM 153 CB LYS A 735 -1.122 5.309 7.206 1.00 0.00 C ATOM 154 CG LYS A 735 -2.564 4.837 7.531 1.00 0.00 C ATOM 155 CD LYS A 735 -3.664 5.858 7.233 1.00 0.00 C ATOM 156 CE LYS A 735 -3.559 7.080 8.104 1.00 0.00 C ATOM 157 NZ LYS A 735 -4.595 8.072 7.806 1.00 0.00 N ATOM 0 H LYS A 735 -2.180 7.284 5.258 1.00 0.00 H new ATOM 0 HA LYS A 735 0.245 5.652 5.618 1.00 0.00 H new ATOM 0 HB2 LYS A 735 -0.440 4.490 7.436 1.00 0.00 H new ATOM 0 HB3 LYS A 735 -0.876 6.128 7.882 1.00 0.00 H new ATOM 0 HG2 LYS A 735 -2.769 3.929 6.964 1.00 0.00 H new ATOM 0 HG3 LYS A 735 -2.613 4.571 8.587 1.00 0.00 H new ATOM 0 HD2 LYS A 735 -3.607 6.155 6.186 1.00 0.00 H new ATOM 0 HD3 LYS A 735 -4.639 5.392 7.380 1.00 0.00 H new ATOM 0 HE2 LYS A 735 -3.634 6.784 9.150 1.00 0.00 H new ATOM 0 HE3 LYS A 735 -2.577 7.534 7.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 -4.587 8.812 8.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 -4.408 8.500 6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 -5.526 7.608 7.793 1.00 0.00 H new ATOM 171 N LEU A 736 -1.185 3.777 4.415 1.00 0.00 N ATOM 172 CA LEU A 736 -1.983 3.004 3.495 1.00 0.00 C ATOM 173 C LEU A 736 -2.150 1.590 3.869 1.00 0.00 C ATOM 174 O LEU A 736 -1.246 0.935 4.361 1.00 0.00 O ATOM 175 CB LEU A 736 -1.721 3.237 2.011 1.00 0.00 C ATOM 176 CG LEU A 736 -0.278 3.152 1.468 1.00 0.00 C ATOM 177 CD1 LEU A 736 0.310 1.772 1.610 1.00 0.00 C ATOM 178 CD2 LEU A 736 -0.251 3.562 0.014 1.00 0.00 C ATOM 0 H LEU A 736 -0.341 3.326 4.767 1.00 0.00 H new ATOM 0 HA LEU A 736 -2.972 3.443 3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -2.321 2.515 1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -2.105 4.227 1.764 1.00 0.00 H new ATOM 0 HG LEU A 736 0.330 3.833 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 736 1.325 1.766 1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 736 0.330 1.492 2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -0.300 1.058 1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 736 0.770 3.500 -0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -0.892 2.896 -0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -0.611 4.586 -0.082 1.00 0.00 H new ATOM 190 N ASN A 737 -3.371 1.196 3.806 1.00 0.00 N ATOM 191 CA ASN A 737 -3.840 -0.044 4.333 1.00 0.00 C ATOM 192 C ASN A 737 -4.602 -0.787 3.348 1.00 0.00 C ATOM 193 O ASN A 737 -4.897 -0.248 2.395 1.00 0.00 O ATOM 194 CB ASN A 737 -4.701 0.235 5.487 1.00 0.00 C ATOM 195 CG ASN A 737 -3.991 0.800 6.627 1.00 0.00 C ATOM 196 OD1 ASN A 737 -3.709 2.015 6.557 1.00 0.00 O flip ATOM 197 ND2 ASN A 737 -3.625 0.094 7.535 1.00 0.00 N flip ATOM 0 H ASN A 737 -4.106 1.750 3.367 1.00 0.00 H new ATOM 0 HA ASN A 737 -2.978 -0.646 4.621 1.00 0.00 H new ATOM 0 HB2 ASN A 737 -5.488 0.925 5.183 1.00 0.00 H new ATOM 0 HB3 ASN A 737 -5.189 -0.689 5.796 1.00 0.00 H new ATOM 0 HD21 ASN A 737 -3.881 -0.893 7.548 1.00 0.00 H new ATOM 0 HD22 ASN A 737 -3.060 0.485 8.289 1.00 0.00 H new ATOM 204 N PHE A 738 -4.854 -2.082 3.545 1.00 0.00 N ATOM 205 CA PHE A 738 -5.714 -2.778 2.602 1.00 0.00 C ATOM 206 C PHE A 738 -7.140 -2.635 3.103 1.00 0.00 C ATOM 207 O PHE A 738 -7.995 -2.053 2.451 1.00 0.00 O ATOM 208 CB PHE A 738 -5.392 -4.281 2.408 1.00 0.00 C ATOM 209 CG PHE A 738 -6.306 -4.842 1.367 1.00 0.00 C ATOM 210 CD1 PHE A 738 -6.013 -4.661 0.043 1.00 0.00 C ATOM 211 CD2 PHE A 738 -7.513 -5.439 1.708 1.00 0.00 C ATOM 212 CE1 PHE A 738 -6.872 -5.064 -0.925 1.00 0.00 C ATOM 213 CE2 PHE A 738 -8.392 -5.826 0.734 1.00 0.00 C ATOM 214 CZ PHE A 738 -8.065 -5.634 -0.583 1.00 0.00 C ATOM 0 H PHE A 738 -4.491 -2.645 4.314 1.00 0.00 H new ATOM 0 HA PHE A 738 -5.554 -2.323 1.624 1.00 0.00 H new ATOM 0 HB2 PHE A 738 -4.353 -4.408 2.105 1.00 0.00 H new ATOM 0 HB3 PHE A 738 -5.517 -4.818 3.348 1.00 0.00 H new ATOM 0 HD1 PHE A 738 -5.082 -4.189 -0.235 1.00 0.00 H new ATOM 0 HD2 PHE A 738 -7.759 -5.598 2.748 1.00 0.00 H new ATOM 0 HE1 PHE A 738 -6.613 -4.934 -1.966 1.00 0.00 H new ATOM 0 HE2 PHE A 738 -9.336 -6.279 1.001 1.00 0.00 H new ATOM 0 HZ PHE A 738 -8.756 -5.936 -1.356 1.00 0.00 H new ATOM 224 N ASP A 739 -7.362 -3.146 4.296 1.00 0.00 N ATOM 225 CA ASP A 739 -8.649 -3.069 4.978 1.00 0.00 C ATOM 226 C ASP A 739 -8.992 -1.628 5.282 1.00 0.00 C ATOM 227 O ASP A 739 -10.134 -1.209 5.158 1.00 0.00 O ATOM 228 CB ASP A 739 -8.604 -3.851 6.294 1.00 0.00 C ATOM 229 CG ASP A 739 -8.339 -5.300 6.105 1.00 0.00 C ATOM 230 OD1 ASP A 739 -7.194 -5.662 5.852 1.00 0.00 O ATOM 231 OD2 ASP A 739 -9.272 -6.087 6.230 1.00 0.00 O ATOM 0 H ASP A 739 -6.646 -3.635 4.832 1.00 0.00 H new ATOM 0 HA ASP A 739 -9.406 -3.500 4.323 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -7.830 -3.427 6.935 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -9.553 -3.727 6.816 1.00 0.00 H new ATOM 236 N GLU A 740 -7.972 -0.853 5.617 1.00 0.00 N ATOM 237 CA GLU A 740 -8.158 0.556 5.854 1.00 0.00 C ATOM 238 C GLU A 740 -8.138 1.329 4.543 1.00 0.00 C ATOM 239 O GLU A 740 -8.675 2.376 4.461 1.00 0.00 O ATOM 240 CB GLU A 740 -7.307 1.140 7.022 1.00 0.00 C ATOM 241 CG GLU A 740 -7.624 2.570 7.412 1.00 0.00 C ATOM 242 CD GLU A 740 -6.735 3.078 8.496 1.00 0.00 C ATOM 243 OE1 GLU A 740 -6.873 2.625 9.638 1.00 0.00 O ATOM 244 OE2 GLU A 740 -5.891 3.923 8.209 1.00 0.00 O ATOM 0 H GLU A 740 -7.013 -1.182 5.729 1.00 0.00 H new ATOM 0 HA GLU A 740 -9.161 0.695 6.257 1.00 0.00 H new ATOM 0 HB2 GLU A 740 -7.441 0.505 7.898 1.00 0.00 H new ATOM 0 HB3 GLU A 740 -6.254 1.083 6.745 1.00 0.00 H new ATOM 0 HG2 GLU A 740 -7.527 3.212 6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 740 -8.662 2.632 7.739 1.00 0.00 H new ATOM 251 N LEU A 741 -7.544 0.748 3.475 1.00 0.00 N ATOM 252 CA LEU A 741 -7.573 1.417 2.094 1.00 0.00 C ATOM 253 C LEU A 741 -8.992 1.748 1.637 1.00 0.00 C ATOM 254 O LEU A 741 -9.200 2.656 0.841 1.00 0.00 O ATOM 255 CB LEU A 741 -7.107 0.429 1.050 1.00 0.00 C ATOM 256 CG LEU A 741 -7.190 0.838 -0.423 1.00 0.00 C ATOM 257 CD1 LEU A 741 -6.142 1.882 -0.754 1.00 0.00 C ATOM 258 CD2 LEU A 741 -7.077 -0.356 -1.342 1.00 0.00 C ATOM 0 H LEU A 741 -7.051 -0.144 3.507 1.00 0.00 H new ATOM 0 HA LEU A 741 -6.956 2.311 2.187 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -6.069 0.180 1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -7.687 -0.485 1.175 1.00 0.00 H new ATOM 0 HG LEU A 741 -8.173 1.280 -0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -6.221 2.156 -1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -6.301 2.766 -0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -5.150 1.476 -0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -7.140 -0.025 -2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -6.121 -0.852 -1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -7.888 -1.053 -1.134 1.00 0.00 H new ATOM 270 N ARG A 742 -9.944 0.975 2.106 1.00 0.00 N ATOM 271 CA ARG A 742 -11.307 1.066 1.741 1.00 0.00 C ATOM 272 C ARG A 742 -11.801 2.323 2.165 1.00 0.00 C ATOM 273 O ARG A 742 -12.465 2.903 1.466 1.00 0.00 O ATOM 274 CB ARG A 742 -12.088 -0.064 2.364 1.00 0.00 C ATOM 275 CG ARG A 742 -11.336 -1.347 2.236 1.00 0.00 C ATOM 276 CD ARG A 742 -11.100 -1.718 0.766 1.00 0.00 C ATOM 277 NE ARG A 742 -12.188 -2.525 0.207 1.00 0.00 N ATOM 278 CZ ARG A 742 -13.073 -2.155 -0.742 1.00 0.00 C ATOM 279 NH1 ARG A 742 -13.203 -0.869 -1.126 1.00 0.00 N ATOM 280 NH2 ARG A 742 -13.868 -3.077 -1.242 1.00 0.00 N ATOM 0 H ARG A 742 -9.762 0.235 2.784 1.00 0.00 H new ATOM 0 HA ARG A 742 -11.415 0.983 0.660 1.00 0.00 H new ATOM 0 HB2 ARG A 742 -12.276 0.152 3.416 1.00 0.00 H new ATOM 0 HB3 ARG A 742 -13.060 -0.154 1.878 1.00 0.00 H new ATOM 0 HG2 ARG A 742 -10.378 -1.261 2.749 1.00 0.00 H new ATOM 0 HG3 ARG A 742 -11.891 -2.145 2.729 1.00 0.00 H new ATOM 0 HD2 ARG A 742 -10.990 -0.807 0.178 1.00 0.00 H new ATOM 0 HD3 ARG A 742 -10.163 -2.268 0.680 1.00 0.00 H new ATOM 0 HE ARG A 742 -12.287 -3.471 0.576 1.00 0.00 H new ATOM 0 HH11 ARG A 742 -12.624 -0.147 -0.696 1.00 0.00 H new ATOM 0 HH12 ARG A 742 -13.880 -0.618 -1.846 1.00 0.00 H new ATOM 0 HH21 ARG A 742 -13.804 -4.040 -0.911 1.00 0.00 H new ATOM 0 HH22 ARG A 742 -14.548 -2.829 -1.961 1.00 0.00 H new ATOM 294 N GLN A 743 -11.287 2.793 3.274 1.00 0.00 N ATOM 295 CA GLN A 743 -11.610 4.109 3.833 1.00 0.00 C ATOM 296 C GLN A 743 -11.418 5.203 2.855 1.00 0.00 C ATOM 297 O GLN A 743 -12.172 6.176 2.839 1.00 0.00 O ATOM 298 CB GLN A 743 -10.651 4.331 4.913 1.00 0.00 C ATOM 299 CG GLN A 743 -10.604 5.706 5.538 1.00 0.00 C ATOM 300 CD GLN A 743 -9.938 5.626 6.841 1.00 0.00 C ATOM 301 OE1 GLN A 743 -10.227 4.573 7.547 1.00 0.00 O flip ATOM 302 NE2 GLN A 743 -9.238 6.528 7.245 1.00 0.00 N flip ATOM 0 H GLN A 743 -10.616 2.270 3.836 1.00 0.00 H new ATOM 0 HA GLN A 743 -12.654 4.116 4.147 1.00 0.00 H new ATOM 0 HB2 GLN A 743 -10.863 3.610 5.703 1.00 0.00 H new ATOM 0 HB3 GLN A 743 -9.656 4.102 4.531 1.00 0.00 H new ATOM 0 HG2 GLN A 743 -10.069 6.396 4.886 1.00 0.00 H new ATOM 0 HG3 GLN A 743 -11.614 6.098 5.657 1.00 0.00 H new ATOM 0 HE21 GLN A 743 -9.045 7.331 6.646 1.00 0.00 H new ATOM 0 HE22 GLN A 743 -8.842 6.485 8.184 1.00 0.00 H new ATOM 311 N ASP A 744 -10.430 5.064 2.046 1.00 0.00 N ATOM 312 CA ASP A 744 -10.182 6.093 1.054 1.00 0.00 C ATOM 313 C ASP A 744 -11.138 5.971 -0.084 1.00 0.00 C ATOM 314 O ASP A 744 -11.875 6.884 -0.398 1.00 0.00 O ATOM 315 CB ASP A 744 -8.800 5.987 0.527 1.00 0.00 C ATOM 316 CG ASP A 744 -8.268 7.311 0.151 1.00 0.00 C ATOM 317 OD1 ASP A 744 -8.364 8.244 0.981 1.00 0.00 O ATOM 318 OD2 ASP A 744 -7.733 7.437 -0.946 1.00 0.00 O ATOM 0 H ASP A 744 -9.784 4.275 2.035 1.00 0.00 H new ATOM 0 HA ASP A 744 -10.316 7.059 1.541 1.00 0.00 H new ATOM 0 HB2 ASP A 744 -8.155 5.534 1.280 1.00 0.00 H new ATOM 0 HB3 ASP A 744 -8.789 5.328 -0.341 1.00 0.00 H new ATOM 323 N LEU A 745 -11.136 4.812 -0.679 1.00 0.00 N ATOM 324 CA LEU A 745 -11.974 4.532 -1.815 1.00 0.00 C ATOM 325 C LEU A 745 -13.251 3.780 -1.464 1.00 0.00 C ATOM 326 O LEU A 745 -13.633 2.823 -2.169 1.00 0.00 O ATOM 327 CB LEU A 745 -11.154 3.845 -2.941 1.00 0.00 C ATOM 328 CG LEU A 745 -10.080 2.791 -2.524 1.00 0.00 C ATOM 329 CD1 LEU A 745 -10.673 1.546 -1.877 1.00 0.00 C ATOM 330 CD2 LEU A 745 -9.216 2.410 -3.707 1.00 0.00 C ATOM 0 H LEU A 745 -10.550 4.029 -0.389 1.00 0.00 H new ATOM 0 HA LEU A 745 -12.325 5.491 -2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -11.857 3.357 -3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -10.652 4.625 -3.513 1.00 0.00 H new ATOM 0 HG LEU A 745 -9.463 3.271 -1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -9.871 0.856 -1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -11.220 1.829 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -11.353 1.061 -2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -8.475 1.675 -3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -9.841 1.984 -4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -8.709 3.297 -4.088 1.00 0.00 H new ATOM 342 N LYS A 746 -13.876 4.145 -0.329 1.00 0.00 N ATOM 343 CA LYS A 746 -15.091 3.434 0.115 1.00 0.00 C ATOM 344 C LYS A 746 -16.175 3.546 -0.929 1.00 0.00 C ATOM 345 O LYS A 746 -16.448 4.641 -1.448 1.00 0.00 O ATOM 346 CB LYS A 746 -15.660 3.931 1.475 1.00 0.00 C ATOM 347 CG LYS A 746 -14.751 3.767 2.709 1.00 0.00 C ATOM 348 CD LYS A 746 -15.483 4.043 4.034 1.00 0.00 C ATOM 349 CE LYS A 746 -16.771 3.226 4.187 1.00 0.00 C ATOM 350 NZ LYS A 746 -16.551 1.776 3.975 1.00 0.00 N ATOM 0 H LYS A 746 -13.573 4.904 0.281 1.00 0.00 H new ATOM 0 HA LYS A 746 -14.782 2.398 0.255 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -15.908 4.987 1.374 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -16.593 3.401 1.667 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -14.350 2.754 2.726 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -13.902 4.445 2.621 1.00 0.00 H new ATOM 0 HD2 LYS A 746 -14.815 3.818 4.866 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -15.723 5.104 4.096 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -17.183 3.386 5.183 1.00 0.00 H new ATOM 0 HE3 LYS A 746 -17.513 3.586 3.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 -17.416 1.254 4.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 -16.314 1.603 2.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -15.768 1.452 4.578 1.00 0.00 H new ATOM 364 N GLY A 747 -16.791 2.437 -1.230 1.00 0.00 N ATOM 365 CA GLY A 747 -17.840 2.437 -2.198 1.00 0.00 C ATOM 366 C GLY A 747 -17.494 1.653 -3.429 1.00 0.00 C ATOM 367 O GLY A 747 -18.338 0.949 -3.969 1.00 0.00 O ATOM 0 H GLY A 747 -16.583 1.527 -0.818 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -18.742 2.021 -1.749 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -18.069 3.465 -2.480 1.00 0.00 H new ATOM 371 N LYS A 748 -16.263 1.760 -3.897 1.00 0.00 N ATOM 372 CA LYS A 748 -15.896 1.060 -5.090 1.00 0.00 C ATOM 373 C LYS A 748 -15.132 -0.207 -4.805 1.00 0.00 C ATOM 374 O LYS A 748 -14.610 -0.431 -3.689 1.00 0.00 O ATOM 375 CB LYS A 748 -15.167 1.987 -6.108 1.00 0.00 C ATOM 376 CG LYS A 748 -13.825 2.618 -5.646 1.00 0.00 C ATOM 377 CD LYS A 748 -12.633 1.642 -5.661 1.00 0.00 C ATOM 378 CE LYS A 748 -12.336 1.111 -7.067 1.00 0.00 C ATOM 379 NZ LYS A 748 -12.099 2.206 -8.049 1.00 0.00 N ATOM 0 H LYS A 748 -15.522 2.316 -3.471 1.00 0.00 H new ATOM 0 HA LYS A 748 -16.824 0.746 -5.567 1.00 0.00 H new ATOM 0 HB2 LYS A 748 -14.978 1.413 -7.015 1.00 0.00 H new ATOM 0 HB3 LYS A 748 -15.847 2.795 -6.378 1.00 0.00 H new ATOM 0 HG2 LYS A 748 -13.594 3.467 -6.290 1.00 0.00 H new ATOM 0 HG3 LYS A 748 -13.948 3.009 -4.636 1.00 0.00 H new ATOM 0 HD2 LYS A 748 -11.749 2.146 -5.271 1.00 0.00 H new ATOM 0 HD3 LYS A 748 -12.843 0.805 -4.995 1.00 0.00 H new ATOM 0 HE2 LYS A 748 -11.460 0.464 -7.030 1.00 0.00 H new ATOM 0 HE3 LYS A 748 -13.172 0.498 -7.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 748 -11.738 1.803 -8.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 748 -12.992 2.707 -8.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 748 -11.401 2.873 -7.663 1.00 0.00 H new ATOM 393 N GLY A 749 -15.052 -1.005 -5.814 1.00 0.00 N ATOM 394 CA GLY A 749 -14.362 -2.250 -5.743 1.00 0.00 C ATOM 395 C GLY A 749 -15.199 -3.361 -6.280 1.00 0.00 C ATOM 396 O GLY A 749 -16.424 -3.249 -6.328 1.00 0.00 O ATOM 0 H GLY A 749 -15.469 -0.810 -6.724 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -13.432 -2.186 -6.308 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -14.093 -2.461 -4.708 1.00 0.00 H new ATOM 400 N HIS A 750 -14.559 -4.444 -6.648 1.00 0.00 N ATOM 401 CA HIS A 750 -15.255 -5.633 -7.132 1.00 0.00 C ATOM 402 C HIS A 750 -15.552 -6.475 -5.893 1.00 0.00 C ATOM 403 O HIS A 750 -16.151 -5.976 -4.932 1.00 0.00 O ATOM 404 CB HIS A 750 -14.340 -6.422 -8.103 1.00 0.00 C ATOM 405 CG HIS A 750 -13.799 -5.643 -9.266 1.00 0.00 C ATOM 406 ND1 HIS A 750 -12.616 -5.975 -9.898 1.00 0.00 N ATOM 407 CD2 HIS A 750 -14.257 -4.530 -9.892 1.00 0.00 C ATOM 408 CE1 HIS A 750 -12.372 -5.099 -10.853 1.00 0.00 C ATOM 409 NE2 HIS A 750 -13.353 -4.212 -10.872 1.00 0.00 N ATOM 0 H HIS A 750 -13.543 -4.536 -6.624 1.00 0.00 H new ATOM 0 HA HIS A 750 -16.167 -5.376 -7.671 1.00 0.00 H new ATOM 0 HB2 HIS A 750 -13.500 -6.823 -7.536 1.00 0.00 H new ATOM 0 HB3 HIS A 750 -14.900 -7.274 -8.489 1.00 0.00 H new ATOM 0 HD2 HIS A 750 -15.166 -3.994 -9.661 1.00 0.00 H new ATOM 0 HE1 HIS A 750 -11.515 -5.105 -11.510 1.00 0.00 H new ATOM 0 HE2 HIS A 750 -13.425 -3.421 -11.511 1.00 0.00 H new ATOM 418 N THR A 751 -14.926 -7.624 -5.800 1.00 0.00 N ATOM 419 CA THR A 751 -14.913 -8.334 -4.568 1.00 0.00 C ATOM 420 C THR A 751 -13.643 -7.872 -3.870 1.00 0.00 C ATOM 421 O THR A 751 -12.700 -7.418 -4.556 1.00 0.00 O ATOM 422 CB THR A 751 -14.871 -9.853 -4.814 1.00 0.00 C ATOM 423 OG1 THR A 751 -13.716 -10.218 -5.545 1.00 0.00 O ATOM 424 CG2 THR A 751 -16.069 -10.389 -5.564 1.00 0.00 C ATOM 0 H THR A 751 -14.425 -8.076 -6.565 1.00 0.00 H new ATOM 0 HA THR A 751 -15.806 -8.142 -3.974 1.00 0.00 H new ATOM 0 HB THR A 751 -14.867 -10.291 -3.816 1.00 0.00 H new ATOM 0 HG1 THR A 751 -13.902 -10.153 -6.505 1.00 0.00 H new ATOM 0 HG21 THR A 751 -15.963 -11.466 -5.697 1.00 0.00 H new ATOM 0 HG22 THR A 751 -16.976 -10.181 -4.997 1.00 0.00 H new ATOM 0 HG23 THR A 751 -16.133 -9.908 -6.540 1.00 0.00 H new ATOM 432 N ASP A 752 -13.570 -7.978 -2.557 1.00 0.00 N ATOM 433 CA ASP A 752 -12.346 -7.583 -1.854 1.00 0.00 C ATOM 434 C ASP A 752 -11.175 -8.448 -2.258 1.00 0.00 C ATOM 435 O ASP A 752 -10.059 -7.970 -2.345 1.00 0.00 O ATOM 436 CB ASP A 752 -12.516 -7.492 -0.338 1.00 0.00 C ATOM 437 CG ASP A 752 -13.347 -6.311 0.064 1.00 0.00 C ATOM 438 OD1 ASP A 752 -14.573 -6.428 0.104 1.00 0.00 O ATOM 439 OD2 ASP A 752 -12.782 -5.245 0.317 1.00 0.00 O ATOM 0 H ASP A 752 -14.320 -8.325 -1.959 1.00 0.00 H new ATOM 0 HA ASP A 752 -12.123 -6.565 -2.173 1.00 0.00 H new ATOM 0 HB2 ASP A 752 -12.983 -8.406 0.030 1.00 0.00 H new ATOM 0 HB3 ASP A 752 -11.536 -7.423 0.133 1.00 0.00 H new ATOM 444 N ALA A 753 -11.467 -9.709 -2.591 1.00 0.00 N ATOM 445 CA ALA A 753 -10.463 -10.657 -3.087 1.00 0.00 C ATOM 446 C ALA A 753 -9.787 -10.141 -4.355 1.00 0.00 C ATOM 447 O ALA A 753 -8.574 -10.220 -4.490 1.00 0.00 O ATOM 448 CB ALA A 753 -11.107 -12.003 -3.372 1.00 0.00 C ATOM 0 H ALA A 753 -12.406 -10.102 -2.525 1.00 0.00 H new ATOM 0 HA ALA A 753 -9.705 -10.769 -2.312 1.00 0.00 H new ATOM 0 HB1 ALA A 753 -10.351 -12.697 -3.739 1.00 0.00 H new ATOM 0 HB2 ALA A 753 -11.547 -12.397 -2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 753 -11.885 -11.882 -4.125 1.00 0.00 H new ATOM 454 N GLU A 754 -10.581 -9.612 -5.276 1.00 0.00 N ATOM 455 CA GLU A 754 -10.065 -9.039 -6.528 1.00 0.00 C ATOM 456 C GLU A 754 -9.225 -7.788 -6.286 1.00 0.00 C ATOM 457 O GLU A 754 -8.200 -7.590 -6.944 1.00 0.00 O ATOM 458 CB GLU A 754 -11.191 -8.767 -7.510 1.00 0.00 C ATOM 459 CG GLU A 754 -11.857 -10.028 -8.018 1.00 0.00 C ATOM 460 CD GLU A 754 -13.030 -9.743 -8.871 1.00 0.00 C ATOM 461 OE1 GLU A 754 -12.843 -9.496 -10.058 1.00 0.00 O ATOM 462 OE2 GLU A 754 -14.145 -9.764 -8.358 1.00 0.00 O ATOM 0 H GLU A 754 -11.596 -9.564 -5.185 1.00 0.00 H new ATOM 0 HA GLU A 754 -9.403 -9.783 -6.972 1.00 0.00 H new ATOM 0 HB2 GLU A 754 -11.939 -8.137 -7.029 1.00 0.00 H new ATOM 0 HB3 GLU A 754 -10.798 -8.205 -8.357 1.00 0.00 H new ATOM 0 HG2 GLU A 754 -11.134 -10.614 -8.584 1.00 0.00 H new ATOM 0 HG3 GLU A 754 -12.168 -10.638 -7.170 1.00 0.00 H new ATOM 469 N ILE A 755 -9.636 -6.973 -5.323 1.00 0.00 N ATOM 470 CA ILE A 755 -8.887 -5.773 -4.950 1.00 0.00 C ATOM 471 C ILE A 755 -7.553 -6.202 -4.318 1.00 0.00 C ATOM 472 O ILE A 755 -6.503 -5.598 -4.544 1.00 0.00 O ATOM 473 CB ILE A 755 -9.705 -4.873 -3.967 1.00 0.00 C ATOM 474 CG1 ILE A 755 -11.072 -4.516 -4.571 1.00 0.00 C ATOM 475 CG2 ILE A 755 -8.948 -3.586 -3.642 1.00 0.00 C ATOM 476 CD1 ILE A 755 -10.982 -3.703 -5.848 1.00 0.00 C ATOM 0 H ILE A 755 -10.488 -7.120 -4.782 1.00 0.00 H new ATOM 0 HA ILE A 755 -8.697 -5.177 -5.843 1.00 0.00 H new ATOM 0 HB ILE A 755 -9.851 -5.440 -3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 755 -11.620 -5.436 -4.774 1.00 0.00 H new ATOM 0 HG13 ILE A 755 -11.649 -3.957 -3.835 1.00 0.00 H new ATOM 0 HG21 ILE A 755 -9.540 -2.979 -2.957 1.00 0.00 H new ATOM 0 HG22 ILE A 755 -7.994 -3.833 -3.177 1.00 0.00 H new ATOM 0 HG23 ILE A 755 -8.770 -3.027 -4.561 1.00 0.00 H new ATOM 0 HD11 ILE A 755 -11.986 -3.490 -6.215 1.00 0.00 H new ATOM 0 HD12 ILE A 755 -10.462 -2.766 -5.647 1.00 0.00 H new ATOM 0 HD13 ILE A 755 -10.433 -4.268 -6.601 1.00 0.00 H new ATOM 488 N GLU A 756 -7.616 -7.263 -3.548 1.00 0.00 N ATOM 489 CA GLU A 756 -6.464 -7.838 -2.894 1.00 0.00 C ATOM 490 C GLU A 756 -5.493 -8.401 -3.948 1.00 0.00 C ATOM 491 O GLU A 756 -4.271 -8.294 -3.809 1.00 0.00 O ATOM 492 CB GLU A 756 -6.965 -8.930 -1.948 1.00 0.00 C ATOM 493 CG GLU A 756 -5.941 -9.518 -1.016 1.00 0.00 C ATOM 494 CD GLU A 756 -6.572 -10.473 -0.079 1.00 0.00 C ATOM 495 OE1 GLU A 756 -6.759 -11.632 -0.455 1.00 0.00 O ATOM 496 OE2 GLU A 756 -6.902 -10.072 1.035 1.00 0.00 O ATOM 0 H GLU A 756 -8.486 -7.760 -3.355 1.00 0.00 H new ATOM 0 HA GLU A 756 -5.919 -7.087 -2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 756 -7.778 -8.519 -1.349 1.00 0.00 H new ATOM 0 HB3 GLU A 756 -7.387 -9.737 -2.548 1.00 0.00 H new ATOM 0 HG2 GLU A 756 -5.166 -10.024 -1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 756 -5.452 -8.721 -0.456 1.00 0.00 H new ATOM 503 N ALA A 757 -6.054 -8.944 -5.026 1.00 0.00 N ATOM 504 CA ALA A 757 -5.260 -9.488 -6.135 1.00 0.00 C ATOM 505 C ALA A 757 -4.464 -8.397 -6.848 1.00 0.00 C ATOM 506 O ALA A 757 -3.268 -8.572 -7.119 1.00 0.00 O ATOM 507 CB ALA A 757 -6.141 -10.233 -7.126 1.00 0.00 C ATOM 0 H ALA A 757 -7.062 -9.021 -5.159 1.00 0.00 H new ATOM 0 HA ALA A 757 -4.550 -10.194 -5.704 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -5.526 -10.625 -7.936 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -6.642 -11.058 -6.619 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -6.887 -9.551 -7.534 1.00 0.00 H new ATOM 513 N ILE A 758 -5.108 -7.260 -7.117 1.00 0.00 N ATOM 514 CA ILE A 758 -4.423 -6.143 -7.760 1.00 0.00 C ATOM 515 C ILE A 758 -3.390 -5.523 -6.800 1.00 0.00 C ATOM 516 O ILE A 758 -2.279 -5.217 -7.208 1.00 0.00 O ATOM 517 CB ILE A 758 -5.443 -5.100 -8.422 1.00 0.00 C ATOM 518 CG1 ILE A 758 -4.769 -3.884 -9.119 1.00 0.00 C ATOM 519 CG2 ILE A 758 -6.493 -4.610 -7.446 1.00 0.00 C ATOM 520 CD1 ILE A 758 -4.300 -2.772 -8.190 1.00 0.00 C ATOM 0 H ILE A 758 -6.091 -7.091 -6.902 1.00 0.00 H new ATOM 0 HA ILE A 758 -3.854 -6.520 -8.610 1.00 0.00 H new ATOM 0 HB ILE A 758 -5.927 -5.684 -9.205 1.00 0.00 H new ATOM 0 HG12 ILE A 758 -3.912 -4.243 -9.689 1.00 0.00 H new ATOM 0 HG13 ILE A 758 -5.474 -3.462 -9.836 1.00 0.00 H new ATOM 0 HG21 ILE A 758 -7.157 -3.906 -7.948 1.00 0.00 H new ATOM 0 HG22 ILE A 758 -7.073 -5.457 -7.080 1.00 0.00 H new ATOM 0 HG23 ILE A 758 -6.006 -4.114 -6.607 1.00 0.00 H new ATOM 0 HD11 ILE A 758 -3.846 -1.974 -8.778 1.00 0.00 H new ATOM 0 HD12 ILE A 758 -5.152 -2.376 -7.638 1.00 0.00 H new ATOM 0 HD13 ILE A 758 -3.566 -3.169 -7.489 1.00 0.00 H new ATOM 532 N PHE A 759 -3.732 -5.475 -5.501 1.00 0.00 N ATOM 533 CA PHE A 759 -2.811 -5.008 -4.433 1.00 0.00 C ATOM 534 C PHE A 759 -1.522 -5.816 -4.403 1.00 0.00 C ATOM 535 O PHE A 759 -0.442 -5.263 -4.185 1.00 0.00 O ATOM 536 CB PHE A 759 -3.539 -5.060 -3.052 1.00 0.00 C ATOM 537 CG PHE A 759 -2.698 -5.491 -1.847 1.00 0.00 C ATOM 538 CD1 PHE A 759 -1.674 -4.702 -1.351 1.00 0.00 C ATOM 539 CD2 PHE A 759 -2.953 -6.702 -1.219 1.00 0.00 C ATOM 540 CE1 PHE A 759 -0.924 -5.109 -0.264 1.00 0.00 C ATOM 541 CE2 PHE A 759 -2.211 -7.111 -0.132 1.00 0.00 C ATOM 542 CZ PHE A 759 -1.194 -6.313 0.348 1.00 0.00 C ATOM 0 H PHE A 759 -4.650 -5.756 -5.156 1.00 0.00 H new ATOM 0 HA PHE A 759 -2.531 -3.977 -4.650 1.00 0.00 H new ATOM 0 HB2 PHE A 759 -3.948 -4.071 -2.845 1.00 0.00 H new ATOM 0 HB3 PHE A 759 -4.384 -5.743 -3.139 1.00 0.00 H new ATOM 0 HD1 PHE A 759 -1.458 -3.754 -1.821 1.00 0.00 H new ATOM 0 HD2 PHE A 759 -3.746 -7.335 -1.588 1.00 0.00 H new ATOM 0 HE1 PHE A 759 -0.126 -4.483 0.106 1.00 0.00 H new ATOM 0 HE2 PHE A 759 -2.426 -8.056 0.344 1.00 0.00 H new ATOM 0 HZ PHE A 759 -0.612 -6.631 1.200 1.00 0.00 H new ATOM 552 N THR A 760 -1.643 -7.113 -4.614 1.00 0.00 N ATOM 553 CA THR A 760 -0.510 -8.009 -4.568 1.00 0.00 C ATOM 554 C THR A 760 0.568 -7.612 -5.597 1.00 0.00 C ATOM 555 O THR A 760 1.754 -7.633 -5.294 1.00 0.00 O ATOM 556 CB THR A 760 -0.996 -9.457 -4.794 1.00 0.00 C ATOM 557 OG1 THR A 760 -1.990 -9.815 -3.832 1.00 0.00 O ATOM 558 CG2 THR A 760 0.097 -10.507 -4.709 1.00 0.00 C ATOM 0 H THR A 760 -2.530 -7.572 -4.822 1.00 0.00 H new ATOM 0 HA THR A 760 -0.045 -7.939 -3.585 1.00 0.00 H new ATOM 0 HB THR A 760 -1.390 -9.452 -5.810 1.00 0.00 H new ATOM 0 HG1 THR A 760 -2.815 -9.318 -4.013 1.00 0.00 H new ATOM 0 HG21 THR A 760 -0.333 -11.494 -4.880 1.00 0.00 H new ATOM 0 HG22 THR A 760 0.855 -10.305 -5.466 1.00 0.00 H new ATOM 0 HG23 THR A 760 0.554 -10.477 -3.720 1.00 0.00 H new ATOM 566 N LYS A 761 0.160 -7.282 -6.799 1.00 0.00 N ATOM 567 CA LYS A 761 1.123 -6.931 -7.833 1.00 0.00 C ATOM 568 C LYS A 761 1.399 -5.416 -7.913 1.00 0.00 C ATOM 569 O LYS A 761 2.503 -5.004 -8.257 1.00 0.00 O ATOM 570 CB LYS A 761 0.631 -7.425 -9.204 1.00 0.00 C ATOM 571 CG LYS A 761 0.223 -8.904 -9.253 1.00 0.00 C ATOM 572 CD LYS A 761 1.371 -9.842 -8.907 1.00 0.00 C ATOM 573 CE LYS A 761 0.922 -11.303 -8.982 1.00 0.00 C ATOM 574 NZ LYS A 761 2.013 -12.250 -8.656 1.00 0.00 N ATOM 0 H LYS A 761 -0.817 -7.247 -7.090 1.00 0.00 H new ATOM 0 HA LYS A 761 2.058 -7.421 -7.561 1.00 0.00 H new ATOM 0 HB2 LYS A 761 -0.222 -6.818 -9.507 1.00 0.00 H new ATOM 0 HB3 LYS A 761 1.419 -7.257 -9.938 1.00 0.00 H new ATOM 0 HG2 LYS A 761 -0.600 -9.073 -8.559 1.00 0.00 H new ATOM 0 HG3 LYS A 761 -0.147 -9.142 -10.250 1.00 0.00 H new ATOM 0 HD2 LYS A 761 2.201 -9.676 -9.594 1.00 0.00 H new ATOM 0 HD3 LYS A 761 1.738 -9.621 -7.905 1.00 0.00 H new ATOM 0 HE2 LYS A 761 0.091 -11.460 -8.294 1.00 0.00 H new ATOM 0 HE3 LYS A 761 0.550 -11.514 -9.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 1.657 -13.225 -8.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 2.796 -12.122 -9.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 2.352 -12.069 -7.690 1.00 0.00 H new ATOM 588 N TYR A 762 0.334 -4.640 -7.871 1.00 0.00 N ATOM 589 CA TYR A 762 0.380 -3.212 -8.207 1.00 0.00 C ATOM 590 C TYR A 762 0.524 -2.195 -7.064 1.00 0.00 C ATOM 591 O TYR A 762 0.471 -0.992 -7.355 1.00 0.00 O ATOM 592 CB TYR A 762 -0.770 -2.819 -9.136 1.00 0.00 C ATOM 593 CG TYR A 762 -0.755 -3.553 -10.458 1.00 0.00 C ATOM 594 CD1 TYR A 762 0.010 -3.094 -11.519 1.00 0.00 C ATOM 595 CD2 TYR A 762 -1.496 -4.712 -10.641 1.00 0.00 C ATOM 596 CE1 TYR A 762 0.038 -3.771 -12.718 1.00 0.00 C ATOM 597 CE2 TYR A 762 -1.477 -5.391 -11.837 1.00 0.00 C ATOM 598 CZ TYR A 762 -0.710 -4.918 -12.870 1.00 0.00 C ATOM 599 OH TYR A 762 -0.681 -5.600 -14.059 1.00 0.00 O ATOM 0 H TYR A 762 -0.593 -4.972 -7.604 1.00 0.00 H new ATOM 0 HA TYR A 762 1.341 -3.136 -8.716 1.00 0.00 H new ATOM 0 HB2 TYR A 762 -1.717 -3.014 -8.632 1.00 0.00 H new ATOM 0 HB3 TYR A 762 -0.724 -1.746 -9.324 1.00 0.00 H new ATOM 0 HD1 TYR A 762 0.593 -2.192 -11.404 1.00 0.00 H new ATOM 0 HD2 TYR A 762 -2.100 -5.088 -9.828 1.00 0.00 H new ATOM 0 HE1 TYR A 762 0.643 -3.405 -13.534 1.00 0.00 H new ATOM 0 HE2 TYR A 762 -2.062 -6.290 -11.961 1.00 0.00 H new ATOM 0 HH TYR A 762 -1.263 -6.386 -13.999 1.00 0.00 H new ATOM 609 N ASP A 763 0.575 -2.603 -5.788 1.00 0.00 N ATOM 610 CA ASP A 763 0.574 -1.570 -4.710 1.00 0.00 C ATOM 611 C ASP A 763 1.786 -0.654 -4.765 1.00 0.00 C ATOM 612 O ASP A 763 2.904 -1.068 -5.112 1.00 0.00 O ATOM 613 CB ASP A 763 0.404 -2.140 -3.298 1.00 0.00 C ATOM 614 CG ASP A 763 0.419 -1.042 -2.251 1.00 0.00 C ATOM 615 OD1 ASP A 763 -0.317 -0.054 -2.415 1.00 0.00 O ATOM 616 OD2 ASP A 763 1.170 -1.149 -1.295 1.00 0.00 O ATOM 0 H ASP A 763 0.615 -3.573 -5.476 1.00 0.00 H new ATOM 0 HA ASP A 763 -0.314 -0.974 -4.921 1.00 0.00 H new ATOM 0 HB2 ASP A 763 -0.535 -2.690 -3.237 1.00 0.00 H new ATOM 0 HB3 ASP A 763 1.204 -2.851 -3.093 1.00 0.00 H new ATOM 621 N GLN A 764 1.513 0.608 -4.502 1.00 0.00 N ATOM 622 CA GLN A 764 2.468 1.681 -4.586 1.00 0.00 C ATOM 623 C GLN A 764 3.590 1.580 -3.556 1.00 0.00 C ATOM 624 O GLN A 764 4.752 1.808 -3.905 1.00 0.00 O ATOM 625 CB GLN A 764 1.740 3.021 -4.442 1.00 0.00 C ATOM 626 CG GLN A 764 0.642 3.242 -5.484 1.00 0.00 C ATOM 627 CD GLN A 764 -0.158 4.513 -5.253 1.00 0.00 C ATOM 628 OE1 GLN A 764 0.461 5.513 -4.665 1.00 0.00 O flip ATOM 629 NE2 GLN A 764 -1.338 4.586 -5.603 1.00 0.00 N flip ATOM 0 H GLN A 764 0.585 0.920 -4.214 1.00 0.00 H new ATOM 0 HA GLN A 764 2.945 1.607 -5.563 1.00 0.00 H new ATOM 0 HB2 GLN A 764 1.300 3.080 -3.446 1.00 0.00 H new ATOM 0 HB3 GLN A 764 2.468 3.829 -4.517 1.00 0.00 H new ATOM 0 HG2 GLN A 764 1.094 3.280 -6.475 1.00 0.00 H new ATOM 0 HG3 GLN A 764 -0.035 2.388 -5.475 1.00 0.00 H new ATOM 0 HE21 GLN A 764 -1.786 3.790 -6.057 1.00 0.00 H new ATOM 0 HE22 GLN A 764 -1.867 5.443 -5.439 1.00 0.00 H new ATOM 638 N ASP A 765 3.282 1.270 -2.292 1.00 0.00 N ATOM 639 CA ASP A 765 4.367 1.211 -1.315 1.00 0.00 C ATOM 640 C ASP A 765 4.721 -0.197 -0.923 1.00 0.00 C ATOM 641 O ASP A 765 5.656 -0.413 -0.138 1.00 0.00 O ATOM 642 CB ASP A 765 4.058 2.045 -0.072 1.00 0.00 C ATOM 643 CG ASP A 765 4.032 3.508 -0.349 1.00 0.00 C ATOM 644 OD1 ASP A 765 5.098 4.094 -0.526 1.00 0.00 O ATOM 645 OD2 ASP A 765 2.953 4.090 -0.383 1.00 0.00 O ATOM 0 H ASP A 765 2.347 1.067 -1.938 1.00 0.00 H new ATOM 0 HA ASP A 765 5.237 1.641 -1.812 1.00 0.00 H new ATOM 0 HB2 ASP A 765 3.094 1.740 0.334 1.00 0.00 H new ATOM 0 HB3 ASP A 765 4.806 1.838 0.694 1.00 0.00 H new ATOM 650 N GLY A 766 3.974 -1.149 -1.431 1.00 0.00 N ATOM 651 CA GLY A 766 4.183 -2.536 -1.066 1.00 0.00 C ATOM 652 C GLY A 766 3.781 -2.775 0.367 1.00 0.00 C ATOM 653 O GLY A 766 4.399 -3.576 1.070 1.00 0.00 O ATOM 0 H GLY A 766 3.217 -0.992 -2.097 1.00 0.00 H new ATOM 0 HA2 GLY A 766 3.603 -3.182 -1.725 1.00 0.00 H new ATOM 0 HA3 GLY A 766 5.232 -2.800 -1.204 1.00 0.00 H new ATOM 657 N ASP A 767 2.770 -2.043 0.817 1.00 0.00 N ATOM 658 CA ASP A 767 2.301 -2.145 2.166 1.00 0.00 C ATOM 659 C ASP A 767 0.870 -2.575 2.230 1.00 0.00 C ATOM 660 O ASP A 767 0.589 -3.680 2.684 1.00 0.00 O ATOM 661 CB ASP A 767 2.425 -0.821 2.943 1.00 0.00 C ATOM 662 CG ASP A 767 3.811 -0.413 3.269 1.00 0.00 C ATOM 663 OD1 ASP A 767 4.555 -1.228 3.830 1.00 0.00 O ATOM 664 OD2 ASP A 767 4.161 0.741 3.013 1.00 0.00 O ATOM 0 H ASP A 767 2.262 -1.367 0.247 1.00 0.00 H new ATOM 0 HA ASP A 767 2.942 -2.896 2.627 1.00 0.00 H new ATOM 0 HB2 ASP A 767 1.957 -0.029 2.358 1.00 0.00 H new ATOM 0 HB3 ASP A 767 1.860 -0.908 3.871 1.00 0.00 H new ATOM 669 N GLN A 768 -0.037 -1.611 1.905 1.00 0.00 N ATOM 670 CA GLN A 768 -1.504 -1.747 2.103 1.00 0.00 C ATOM 671 C GLN A 768 -1.874 -2.545 3.355 1.00 0.00 C ATOM 672 O GLN A 768 -2.456 -3.603 3.257 1.00 0.00 O ATOM 673 CB GLN A 768 -2.305 -2.219 0.874 1.00 0.00 C ATOM 674 CG GLN A 768 -2.391 -1.209 -0.266 1.00 0.00 C ATOM 675 CD GLN A 768 -3.329 -1.642 -1.399 1.00 0.00 C ATOM 676 OE1 GLN A 768 -4.394 -2.346 -1.079 1.00 0.00 O flip ATOM 677 NE2 GLN A 768 -3.115 -1.316 -2.554 1.00 0.00 N flip ATOM 0 H GLN A 768 0.233 -0.716 1.497 1.00 0.00 H new ATOM 0 HA GLN A 768 -1.820 -0.716 2.261 1.00 0.00 H new ATOM 0 HB2 GLN A 768 -1.853 -3.135 0.494 1.00 0.00 H new ATOM 0 HB3 GLN A 768 -3.316 -2.471 1.193 1.00 0.00 H new ATOM 0 HG2 GLN A 768 -2.732 -0.253 0.131 1.00 0.00 H new ATOM 0 HG3 GLN A 768 -1.393 -1.047 -0.673 1.00 0.00 H new ATOM 0 HE21 GLN A 768 -2.285 -0.770 -2.784 1.00 0.00 H new ATOM 0 HE22 GLN A 768 -3.766 -1.589 -3.290 1.00 0.00 H new ATOM 686 N GLU A 769 -1.740 -1.851 4.496 1.00 0.00 N ATOM 687 CA GLU A 769 -2.145 -2.234 5.902 1.00 0.00 C ATOM 688 C GLU A 769 -1.159 -1.629 6.913 1.00 0.00 C ATOM 689 O GLU A 769 -1.038 -2.109 8.045 1.00 0.00 O ATOM 690 CB GLU A 769 -2.258 -3.749 6.177 1.00 0.00 C ATOM 691 CG GLU A 769 -3.610 -4.369 5.856 1.00 0.00 C ATOM 692 CD GLU A 769 -3.621 -5.816 6.156 1.00 0.00 C ATOM 693 OE1 GLU A 769 -3.796 -6.178 7.318 1.00 0.00 O ATOM 694 OE2 GLU A 769 -3.425 -6.602 5.241 1.00 0.00 O ATOM 0 H GLU A 769 -1.312 -0.925 4.483 1.00 0.00 H new ATOM 0 HA GLU A 769 -3.152 -1.832 6.014 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -1.493 -4.265 5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -2.035 -3.928 7.229 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -4.388 -3.870 6.433 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -3.844 -4.212 4.803 1.00 0.00 H new ATOM 701 N LEU A 770 -0.476 -0.567 6.516 1.00 0.00 N ATOM 702 CA LEU A 770 0.449 0.095 7.405 1.00 0.00 C ATOM 703 C LEU A 770 -0.173 1.405 7.853 1.00 0.00 C ATOM 704 O LEU A 770 -0.623 2.218 7.015 1.00 0.00 O ATOM 705 CB LEU A 770 1.772 0.376 6.677 1.00 0.00 C ATOM 706 CG LEU A 770 2.918 0.921 7.541 1.00 0.00 C ATOM 707 CD1 LEU A 770 3.361 -0.115 8.555 1.00 0.00 C ATOM 708 CD2 LEU A 770 4.087 1.346 6.677 1.00 0.00 C ATOM 0 H LEU A 770 -0.548 -0.151 5.587 1.00 0.00 H new ATOM 0 HA LEU A 770 0.654 -0.541 8.266 1.00 0.00 H new ATOM 0 HB2 LEU A 770 2.107 -0.548 6.206 1.00 0.00 H new ATOM 0 HB3 LEU A 770 1.578 1.089 5.876 1.00 0.00 H new ATOM 0 HG LEU A 770 2.551 1.796 8.077 1.00 0.00 H new ATOM 0 HD11 LEU A 770 4.174 0.290 9.158 1.00 0.00 H new ATOM 0 HD12 LEU A 770 2.523 -0.372 9.202 1.00 0.00 H new ATOM 0 HD13 LEU A 770 3.706 -1.009 8.035 1.00 0.00 H new ATOM 0 HD21 LEU A 770 4.887 1.729 7.310 1.00 0.00 H new ATOM 0 HD22 LEU A 770 4.451 0.489 6.110 1.00 0.00 H new ATOM 0 HD23 LEU A 770 3.765 2.126 5.988 1.00 0.00 H new ATOM 720 N THR A 771 -0.190 1.610 9.149 1.00 0.00 N ATOM 721 CA THR A 771 -0.769 2.776 9.744 1.00 0.00 C ATOM 722 C THR A 771 0.283 3.801 10.215 1.00 0.00 C ATOM 723 O THR A 771 1.490 3.544 10.144 1.00 0.00 O ATOM 724 CB THR A 771 -1.768 2.384 10.843 1.00 0.00 C ATOM 725 OG1 THR A 771 -1.230 1.433 11.748 1.00 0.00 O ATOM 726 CG2 THR A 771 -3.080 1.838 10.324 1.00 0.00 C ATOM 0 H THR A 771 0.206 0.957 9.825 1.00 0.00 H new ATOM 0 HA THR A 771 -1.329 3.296 8.967 1.00 0.00 H new ATOM 0 HB THR A 771 -1.965 3.326 11.354 1.00 0.00 H new ATOM 0 HG1 THR A 771 -1.899 1.215 12.430 1.00 0.00 H new ATOM 0 HG21 THR A 771 -3.727 1.586 11.164 1.00 0.00 H new ATOM 0 HG22 THR A 771 -3.567 2.590 9.704 1.00 0.00 H new ATOM 0 HG23 THR A 771 -2.892 0.944 9.730 1.00 0.00 H new