USER MOD reduce.3.24.130724 H: found=0, std=0, add=333, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 332 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 771 THR OG1 : rot 132:sc= 0.921 USER MOD Set 1.2: A 773 HIS : no HD1:sc= 0.65 K(o=1.6,f=-2.1) USER MOD Single : A 731 GLN : amide:sc= -7.69! C(o=-7.7!,f=-11!) USER MOD Single : A 735 LYS NZ :NH3+ -161:sc= 1.26 (180deg=1.14) USER MOD Single : A 737 ASN : amide:sc= -1.24 K(o=-1.2,f=-0.46) USER MOD Single : A 743 GLN : amide:sc= -1.68! C(o=-1.7!,f=-2.2!) USER MOD Single : A 746 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 748 LYS NZ :NH3+ -160:sc= -2.29! (180deg=-2.39!) USER MOD Single : A 750 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 751 THR OG1 : rot 86:sc= 1.27 USER MOD Single : A 760 THR OG1 : rot 81:sc= 0.816 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 : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 768 GLN : amide:sc= -7.13! C(o=-7.1!,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 87 N ARG A 730 7.875 -8.441 4.336 1.00 0.00 N ATOM 88 CA ARG A 730 7.448 -8.178 2.973 1.00 0.00 C ATOM 89 C ARG A 730 6.341 -7.135 2.885 1.00 0.00 C ATOM 90 O ARG A 730 6.362 -6.245 2.022 1.00 0.00 O ATOM 91 CB ARG A 730 7.121 -9.431 2.159 1.00 0.00 C ATOM 92 CG ARG A 730 6.371 -10.519 2.878 1.00 0.00 C ATOM 93 CD ARG A 730 5.918 -11.620 1.928 1.00 0.00 C ATOM 94 NE ARG A 730 7.031 -12.398 1.390 1.00 0.00 N ATOM 95 CZ ARG A 730 6.902 -13.448 0.570 1.00 0.00 C ATOM 96 NH1 ARG A 730 5.695 -13.852 0.178 1.00 0.00 N ATOM 97 NH2 ARG A 730 7.984 -14.091 0.154 1.00 0.00 N ATOM 0 HA ARG A 730 8.329 -7.748 2.498 1.00 0.00 H new ATOM 0 HB2 ARG A 730 6.537 -9.131 1.289 1.00 0.00 H new ATOM 0 HB3 ARG A 730 8.056 -9.850 1.786 1.00 0.00 H new ATOM 0 HG2 ARG A 730 7.007 -10.947 3.653 1.00 0.00 H new ATOM 0 HG3 ARG A 730 5.502 -10.091 3.379 1.00 0.00 H new ATOM 0 HD2 ARG A 730 5.234 -12.288 2.453 1.00 0.00 H new ATOM 0 HD3 ARG A 730 5.360 -11.175 1.104 1.00 0.00 H new ATOM 0 HE ARG A 730 7.975 -12.121 1.659 1.00 0.00 H new ATOM 0 HH11 ARG A 730 4.862 -13.361 0.503 1.00 0.00 H new ATOM 0 HH12 ARG A 730 5.603 -14.653 -0.447 1.00 0.00 H new ATOM 0 HH21 ARG A 730 8.908 -13.785 0.459 1.00 0.00 H new ATOM 0 HH22 ARG A 730 7.893 -14.892 -0.471 1.00 0.00 H new ATOM 111 N GLN A 731 5.383 -7.244 3.774 1.00 0.00 N ATOM 112 CA GLN A 731 4.272 -6.304 3.844 1.00 0.00 C ATOM 113 C GLN A 731 4.745 -5.024 4.468 1.00 0.00 C ATOM 114 O GLN A 731 4.527 -3.939 3.947 1.00 0.00 O ATOM 115 CB GLN A 731 3.130 -6.911 4.669 1.00 0.00 C ATOM 116 CG GLN A 731 2.026 -5.944 5.115 1.00 0.00 C ATOM 117 CD GLN A 731 1.329 -5.212 3.976 1.00 0.00 C ATOM 118 OE1 GLN A 731 0.872 -4.097 4.139 1.00 0.00 O ATOM 119 NE2 GLN A 731 1.181 -5.861 2.838 1.00 0.00 N ATOM 0 H GLN A 731 5.345 -7.985 4.474 1.00 0.00 H new ATOM 0 HA GLN A 731 3.902 -6.096 2.840 1.00 0.00 H new ATOM 0 HB2 GLN A 731 2.671 -7.708 4.084 1.00 0.00 H new ATOM 0 HB3 GLN A 731 3.559 -7.374 5.558 1.00 0.00 H new ATOM 0 HG2 GLN A 731 1.280 -6.501 5.682 1.00 0.00 H new ATOM 0 HG3 GLN A 731 2.458 -5.208 5.793 1.00 0.00 H new ATOM 0 HE21 GLN A 731 1.575 -6.795 2.729 1.00 0.00 H new ATOM 0 HE22 GLN A 731 0.673 -5.429 2.067 1.00 0.00 H new ATOM 128 N GLY A 732 5.480 -5.175 5.536 1.00 0.00 N ATOM 129 CA GLY A 732 5.941 -4.028 6.284 1.00 0.00 C ATOM 130 C GLY A 732 7.135 -3.342 5.651 1.00 0.00 C ATOM 131 O GLY A 732 7.765 -2.484 6.275 1.00 0.00 O ATOM 0 H GLY A 732 5.774 -6.077 5.910 1.00 0.00 H new ATOM 0 HA2 GLY A 732 5.125 -3.311 6.376 1.00 0.00 H new ATOM 0 HA3 GLY A 732 6.204 -4.343 7.294 1.00 0.00 H new ATOM 135 N GLY A 733 7.482 -3.765 4.464 1.00 0.00 N ATOM 136 CA GLY A 733 8.545 -3.161 3.744 1.00 0.00 C ATOM 137 C GLY A 733 8.325 -3.210 2.271 1.00 0.00 C ATOM 138 O GLY A 733 9.140 -3.785 1.534 1.00 0.00 O ATOM 0 H GLY A 733 7.029 -4.539 3.979 1.00 0.00 H new ATOM 0 HA2 GLY A 733 8.652 -2.123 4.060 1.00 0.00 H new ATOM 0 HA3 GLY A 733 9.480 -3.666 3.987 1.00 0.00 H new ATOM 142 N GLY A 734 7.242 -2.639 1.808 1.00 0.00 N ATOM 143 CA GLY A 734 7.032 -2.658 0.405 1.00 0.00 C ATOM 144 C GLY A 734 5.681 -2.179 -0.039 1.00 0.00 C ATOM 145 O GLY A 734 5.559 -1.125 -0.665 1.00 0.00 O ATOM 0 H GLY A 734 6.525 -2.175 2.365 1.00 0.00 H new ATOM 0 HA2 GLY A 734 7.794 -2.040 -0.070 1.00 0.00 H new ATOM 0 HA3 GLY A 734 7.177 -3.676 0.045 1.00 0.00 H new ATOM 149 N LYS A 735 4.657 -2.919 0.295 1.00 0.00 N ATOM 150 CA LYS A 735 3.352 -2.633 -0.242 1.00 0.00 C ATOM 151 C LYS A 735 2.288 -2.977 0.753 1.00 0.00 C ATOM 152 O LYS A 735 2.573 -3.697 1.674 1.00 0.00 O ATOM 153 CB LYS A 735 3.131 -3.411 -1.549 1.00 0.00 C ATOM 154 CG LYS A 735 2.738 -4.917 -1.447 1.00 0.00 C ATOM 155 CD LYS A 735 3.747 -5.791 -0.686 1.00 0.00 C ATOM 156 CE LYS A 735 5.090 -5.840 -1.395 1.00 0.00 C ATOM 157 NZ LYS A 735 6.070 -6.684 -0.694 1.00 0.00 N ATOM 0 H LYS A 735 4.699 -3.716 0.930 1.00 0.00 H new ATOM 0 HA LYS A 735 3.293 -1.566 -0.456 1.00 0.00 H new ATOM 0 HB2 LYS A 735 2.351 -2.900 -2.114 1.00 0.00 H new ATOM 0 HB3 LYS A 735 4.047 -3.344 -2.137 1.00 0.00 H new ATOM 0 HG2 LYS A 735 1.768 -4.993 -0.956 1.00 0.00 H new ATOM 0 HG3 LYS A 735 2.618 -5.317 -2.454 1.00 0.00 H new ATOM 0 HD2 LYS A 735 3.881 -5.399 0.322 1.00 0.00 H new ATOM 0 HD3 LYS A 735 3.351 -6.801 -0.585 1.00 0.00 H new ATOM 0 HE2 LYS A 735 4.949 -6.218 -2.407 1.00 0.00 H new ATOM 0 HE3 LYS A 735 5.486 -4.829 -1.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 735 7.029 -6.441 -1.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 735 5.995 -6.524 0.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 735 5.879 -7.685 -0.903 1.00 0.00 H new ATOM 171 N LEU A 736 1.062 -2.488 0.557 1.00 0.00 N ATOM 172 CA LEU A 736 -0.025 -2.853 1.482 1.00 0.00 C ATOM 173 C LEU A 736 -1.175 -3.414 0.702 1.00 0.00 C ATOM 174 O LEU A 736 -1.643 -2.801 -0.264 1.00 0.00 O ATOM 175 CB LEU A 736 -0.555 -1.711 2.367 1.00 0.00 C ATOM 176 CG LEU A 736 0.452 -0.707 2.956 1.00 0.00 C ATOM 177 CD1 LEU A 736 0.662 0.477 2.021 1.00 0.00 C ATOM 178 CD2 LEU A 736 -0.009 -0.233 4.324 1.00 0.00 C ATOM 0 H LEU A 736 0.797 -1.861 -0.203 1.00 0.00 H new ATOM 0 HA LEU A 736 0.418 -3.582 2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -1.280 -1.147 1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -1.098 -2.161 3.198 1.00 0.00 H new ATOM 0 HG LEU A 736 1.409 -1.217 3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 736 1.378 1.168 2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 736 1.045 0.122 1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -0.287 0.989 1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 736 0.714 0.476 4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -0.981 0.252 4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -0.092 -1.087 4.996 1.00 0.00 H new ATOM 190 N ASN A 737 -1.672 -4.554 1.098 1.00 0.00 N ATOM 191 CA ASN A 737 -2.767 -5.197 0.348 1.00 0.00 C ATOM 192 C ASN A 737 -3.747 -5.660 1.341 1.00 0.00 C ATOM 193 O ASN A 737 -3.383 -5.874 2.268 1.00 0.00 O ATOM 194 CB ASN A 737 -2.318 -6.426 -0.527 1.00 0.00 C ATOM 195 CG ASN A 737 -1.092 -6.269 -1.449 1.00 0.00 C ATOM 196 OD1 ASN A 737 -0.445 -7.249 -1.775 1.00 0.00 O ATOM 197 ND2 ASN A 737 -0.729 -5.089 -1.819 1.00 0.00 N ATOM 0 H ASN A 737 -1.356 -5.067 1.921 1.00 0.00 H new ATOM 0 HA ASN A 737 -3.169 -4.463 -0.351 1.00 0.00 H new ATOM 0 HB2 ASN A 737 -2.119 -7.258 0.149 1.00 0.00 H new ATOM 0 HB3 ASN A 737 -3.165 -6.716 -1.149 1.00 0.00 H new ATOM 0 HD21 ASN A 737 0.107 -4.968 -2.390 1.00 0.00 H new ATOM 0 HD22 ASN A 737 -1.278 -4.276 -1.540 1.00 0.00 H new ATOM 204 N PHE A 738 -5.011 -5.706 1.112 1.00 0.00 N ATOM 205 CA PHE A 738 -5.956 -6.262 2.125 1.00 0.00 C ATOM 206 C PHE A 738 -5.426 -7.589 2.691 1.00 0.00 C ATOM 207 O PHE A 738 -5.062 -7.653 3.866 1.00 0.00 O ATOM 208 CB PHE A 738 -7.325 -6.442 1.485 1.00 0.00 C ATOM 209 CG PHE A 738 -8.331 -7.164 2.331 1.00 0.00 C ATOM 210 CD1 PHE A 738 -8.739 -6.644 3.534 1.00 0.00 C ATOM 211 CD2 PHE A 738 -8.860 -8.365 1.918 1.00 0.00 C ATOM 212 CE1 PHE A 738 -9.652 -7.297 4.310 1.00 0.00 C ATOM 213 CE2 PHE A 738 -9.783 -9.026 2.696 1.00 0.00 C ATOM 214 CZ PHE A 738 -10.177 -8.488 3.892 1.00 0.00 C ATOM 0 H PHE A 738 -5.451 -5.378 0.252 1.00 0.00 H new ATOM 0 HA PHE A 738 -6.045 -5.566 2.959 1.00 0.00 H new ATOM 0 HB2 PHE A 738 -7.723 -5.459 1.233 1.00 0.00 H new ATOM 0 HB3 PHE A 738 -7.203 -6.986 0.549 1.00 0.00 H new ATOM 0 HD1 PHE A 738 -8.331 -5.703 3.872 1.00 0.00 H new ATOM 0 HD2 PHE A 738 -8.549 -8.792 0.976 1.00 0.00 H new ATOM 0 HE1 PHE A 738 -9.960 -6.873 5.254 1.00 0.00 H new ATOM 0 HE2 PHE A 738 -10.196 -9.967 2.364 1.00 0.00 H new ATOM 0 HZ PHE A 738 -10.902 -9.004 4.504 1.00 0.00 H new ATOM 224 N ASP A 739 -5.268 -8.563 1.835 1.00 0.00 N ATOM 225 CA ASP A 739 -4.771 -9.883 2.208 1.00 0.00 C ATOM 226 C ASP A 739 -3.310 -9.866 2.634 1.00 0.00 C ATOM 227 O ASP A 739 -2.903 -10.645 3.469 1.00 0.00 O ATOM 228 CB ASP A 739 -4.976 -10.878 1.080 1.00 0.00 C ATOM 229 CG ASP A 739 -6.428 -11.173 0.829 1.00 0.00 C ATOM 230 OD1 ASP A 739 -7.119 -11.691 1.745 1.00 0.00 O ATOM 231 OD2 ASP A 739 -6.916 -10.851 -0.269 1.00 0.00 O ATOM 0 H ASP A 739 -5.481 -8.472 0.842 1.00 0.00 H new ATOM 0 HA ASP A 739 -5.354 -10.197 3.074 1.00 0.00 H new ATOM 0 HB2 ASP A 739 -4.525 -10.486 0.168 1.00 0.00 H new ATOM 0 HB3 ASP A 739 -4.456 -11.806 1.319 1.00 0.00 H new ATOM 236 N GLU A 740 -2.531 -8.965 2.085 1.00 0.00 N ATOM 237 CA GLU A 740 -1.098 -8.880 2.459 1.00 0.00 C ATOM 238 C GLU A 740 -0.918 -7.942 3.668 1.00 0.00 C ATOM 239 O GLU A 740 -0.057 -8.152 4.500 1.00 0.00 O ATOM 240 CB GLU A 740 -0.233 -8.412 1.272 1.00 0.00 C ATOM 241 CG GLU A 740 1.248 -8.813 1.320 1.00 0.00 C ATOM 242 CD GLU A 740 1.506 -10.241 0.881 1.00 0.00 C ATOM 243 OE1 GLU A 740 1.149 -11.186 1.594 1.00 0.00 O ATOM 244 OE2 GLU A 740 2.082 -10.433 -0.217 1.00 0.00 O ATOM 0 H GLU A 740 -2.836 -8.284 1.390 1.00 0.00 H new ATOM 0 HA GLU A 740 -0.762 -9.879 2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 740 -0.667 -8.808 0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 740 -0.293 -7.325 1.210 1.00 0.00 H new ATOM 0 HG2 GLU A 740 1.819 -8.137 0.683 1.00 0.00 H new ATOM 0 HG3 GLU A 740 1.618 -8.682 2.337 1.00 0.00 H new ATOM 251 N LEU A 741 -1.759 -6.918 3.767 1.00 0.00 N ATOM 252 CA LEU A 741 -1.748 -5.945 4.878 1.00 0.00 C ATOM 253 C LEU A 741 -1.950 -6.670 6.156 1.00 0.00 C ATOM 254 O LEU A 741 -1.527 -6.231 7.189 1.00 0.00 O ATOM 255 CB LEU A 741 -2.886 -4.927 4.761 1.00 0.00 C ATOM 256 CG LEU A 741 -3.061 -4.006 5.938 1.00 0.00 C ATOM 257 CD1 LEU A 741 -2.228 -2.749 5.815 1.00 0.00 C ATOM 258 CD2 LEU A 741 -4.484 -3.712 6.138 1.00 0.00 C ATOM 0 H LEU A 741 -2.482 -6.729 3.073 1.00 0.00 H new ATOM 0 HA LEU A 741 -0.791 -5.424 4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 741 -2.717 -4.321 3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 741 -3.819 -5.469 4.605 1.00 0.00 H new ATOM 0 HG LEU A 741 -2.691 -4.518 6.826 1.00 0.00 H new ATOM 0 HD11 LEU A 741 -2.390 -2.118 6.689 1.00 0.00 H new ATOM 0 HD12 LEU A 741 -1.173 -3.016 5.751 1.00 0.00 H new ATOM 0 HD13 LEU A 741 -2.520 -2.206 4.916 1.00 0.00 H new ATOM 0 HD21 LEU A 741 -4.601 -3.045 6.992 1.00 0.00 H new ATOM 0 HD22 LEU A 741 -4.885 -3.233 5.245 1.00 0.00 H new ATOM 0 HD23 LEU A 741 -5.024 -4.640 6.326 1.00 0.00 H new ATOM 270 N ARG A 742 -2.644 -7.810 6.072 1.00 0.00 N ATOM 271 CA ARG A 742 -2.862 -8.642 7.211 1.00 0.00 C ATOM 272 C ARG A 742 -1.544 -9.011 7.751 1.00 0.00 C ATOM 273 O ARG A 742 -1.415 -9.018 8.814 1.00 0.00 O ATOM 274 CB ARG A 742 -3.589 -9.941 6.921 1.00 0.00 C ATOM 275 CG ARG A 742 -4.615 -9.930 5.843 1.00 0.00 C ATOM 276 CD ARG A 742 -5.882 -9.242 6.206 1.00 0.00 C ATOM 277 NE ARG A 742 -6.972 -9.733 5.400 1.00 0.00 N ATOM 278 CZ ARG A 742 -7.679 -10.848 5.598 1.00 0.00 C ATOM 279 NH1 ARG A 742 -7.576 -11.553 6.727 1.00 0.00 N ATOM 280 NH2 ARG A 742 -8.473 -11.257 4.640 1.00 0.00 N ATOM 0 H ARG A 742 -3.059 -8.161 5.209 1.00 0.00 H new ATOM 0 HA ARG A 742 -3.487 -8.066 7.894 1.00 0.00 H new ATOM 0 HB2 ARG A 742 -2.843 -10.694 6.667 1.00 0.00 H new ATOM 0 HB3 ARG A 742 -4.072 -10.268 7.842 1.00 0.00 H new ATOM 0 HG2 ARG A 742 -4.193 -9.446 4.962 1.00 0.00 H new ATOM 0 HG3 ARG A 742 -4.842 -10.959 5.564 1.00 0.00 H new ATOM 0 HD2 ARG A 742 -6.101 -9.404 7.262 1.00 0.00 H new ATOM 0 HD3 ARG A 742 -5.773 -8.167 6.064 1.00 0.00 H new ATOM 0 HE ARG A 742 -7.231 -9.168 4.591 1.00 0.00 H new ATOM 0 HH11 ARG A 742 -6.945 -11.243 7.466 1.00 0.00 H new ATOM 0 HH12 ARG A 742 -8.129 -12.401 6.851 1.00 0.00 H new ATOM 0 HH21 ARG A 742 -8.539 -10.727 3.771 1.00 0.00 H new ATOM 0 HH22 ARG A 742 -9.025 -12.106 4.763 1.00 0.00 H new ATOM 294 N GLN A 743 -0.546 -9.220 6.943 1.00 0.00 N ATOM 295 CA GLN A 743 0.788 -9.587 7.431 1.00 0.00 C ATOM 296 C GLN A 743 1.250 -8.587 8.475 1.00 0.00 C ATOM 297 O GLN A 743 1.924 -8.922 9.449 1.00 0.00 O ATOM 298 CB GLN A 743 1.750 -9.623 6.296 1.00 0.00 C ATOM 299 CG GLN A 743 2.672 -10.836 6.299 1.00 0.00 C ATOM 300 CD GLN A 743 2.859 -11.377 4.920 1.00 0.00 C ATOM 301 OE1 GLN A 743 3.920 -11.894 4.578 1.00 0.00 O ATOM 302 NE2 GLN A 743 1.817 -11.325 4.155 1.00 0.00 N ATOM 0 H GLN A 743 -0.614 -9.146 5.928 1.00 0.00 H new ATOM 0 HA GLN A 743 0.742 -10.576 7.886 1.00 0.00 H new ATOM 0 HB2 GLN A 743 1.192 -9.607 5.360 1.00 0.00 H new ATOM 0 HB3 GLN A 743 2.358 -8.718 6.320 1.00 0.00 H new ATOM 0 HG2 GLN A 743 3.639 -10.559 6.718 1.00 0.00 H new ATOM 0 HG3 GLN A 743 2.256 -11.611 6.943 1.00 0.00 H new ATOM 0 HE21 GLN A 743 0.960 -10.884 4.489 1.00 0.00 H new ATOM 0 HE22 GLN A 743 1.852 -11.726 3.218 1.00 0.00 H new ATOM 311 N ASP A 744 0.784 -7.387 8.292 1.00 0.00 N ATOM 312 CA ASP A 744 1.038 -6.320 9.221 1.00 0.00 C ATOM 313 C ASP A 744 0.102 -6.450 10.430 1.00 0.00 C ATOM 314 O ASP A 744 0.543 -6.509 11.572 1.00 0.00 O ATOM 315 CB ASP A 744 0.839 -4.965 8.566 1.00 0.00 C ATOM 316 CG ASP A 744 1.964 -4.023 8.865 1.00 0.00 C ATOM 317 OD1 ASP A 744 3.036 -4.159 8.251 1.00 0.00 O ATOM 318 OD2 ASP A 744 1.805 -3.130 9.740 1.00 0.00 O ATOM 0 H ASP A 744 0.214 -7.117 7.491 1.00 0.00 H new ATOM 0 HA ASP A 744 2.075 -6.394 9.549 1.00 0.00 H new ATOM 0 HB2 ASP A 744 0.752 -5.094 7.487 1.00 0.00 H new ATOM 0 HB3 ASP A 744 -0.099 -4.530 8.912 1.00 0.00 H new ATOM 323 N LEU A 745 -1.184 -6.558 10.144 1.00 0.00 N ATOM 324 CA LEU A 745 -2.241 -6.630 11.145 1.00 0.00 C ATOM 325 C LEU A 745 -2.999 -7.966 11.173 1.00 0.00 C ATOM 326 O LEU A 745 -4.242 -8.000 11.194 1.00 0.00 O ATOM 327 CB LEU A 745 -3.161 -5.422 11.002 1.00 0.00 C ATOM 328 CG LEU A 745 -3.438 -4.924 9.592 1.00 0.00 C ATOM 329 CD1 LEU A 745 -4.440 -5.816 8.877 1.00 0.00 C ATOM 330 CD2 LEU A 745 -3.887 -3.480 9.658 1.00 0.00 C ATOM 0 H LEU A 745 -1.533 -6.599 9.187 1.00 0.00 H new ATOM 0 HA LEU A 745 -1.764 -6.594 12.124 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -4.116 -5.667 11.468 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -2.730 -4.599 11.573 1.00 0.00 H new ATOM 0 HG LEU A 745 -2.524 -4.971 9.001 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -4.616 -5.433 7.872 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -4.045 -6.830 8.815 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -5.379 -5.826 9.431 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -4.088 -3.115 8.651 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -4.794 -3.408 10.258 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -3.103 -2.875 10.113 1.00 0.00 H new ATOM 342 N LYS A 746 -2.248 -9.058 11.108 1.00 0.00 N ATOM 343 CA LYS A 746 -2.820 -10.402 11.123 1.00 0.00 C ATOM 344 C LYS A 746 -3.619 -10.656 12.391 1.00 0.00 C ATOM 345 O LYS A 746 -3.058 -10.693 13.489 1.00 0.00 O ATOM 346 CB LYS A 746 -1.761 -11.545 10.934 1.00 0.00 C ATOM 347 CG LYS A 746 -1.160 -11.711 9.541 1.00 0.00 C ATOM 348 CD LYS A 746 -0.738 -13.147 9.287 1.00 0.00 C ATOM 349 CE LYS A 746 -0.247 -13.344 7.859 1.00 0.00 C ATOM 350 NZ LYS A 746 0.024 -14.767 7.557 1.00 0.00 N ATOM 0 H LYS A 746 -1.230 -9.040 11.044 1.00 0.00 H new ATOM 0 HA LYS A 746 -3.484 -10.432 10.259 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -0.946 -11.370 11.636 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -2.228 -12.489 11.216 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -1.889 -11.406 8.790 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -0.298 -11.053 9.434 1.00 0.00 H new ATOM 0 HD2 LYS A 746 0.052 -13.423 9.985 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -1.579 -13.813 9.478 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -0.994 -12.962 7.163 1.00 0.00 H new ATOM 0 HE3 LYS A 746 0.661 -12.761 7.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 0.356 -14.856 6.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 0.755 -15.126 8.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -0.848 -15.320 7.679 1.00 0.00 H new ATOM 364 N GLY A 747 -4.915 -10.776 12.245 1.00 0.00 N ATOM 365 CA GLY A 747 -5.751 -11.081 13.372 1.00 0.00 C ATOM 366 C GLY A 747 -6.435 -9.848 13.921 1.00 0.00 C ATOM 367 O GLY A 747 -5.912 -9.207 14.841 1.00 0.00 O ATOM 0 H GLY A 747 -5.410 -10.667 11.360 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -6.504 -11.812 13.078 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -5.149 -11.541 14.156 1.00 0.00 H new ATOM 371 N LYS A 748 -7.598 -9.507 13.372 1.00 0.00 N ATOM 372 CA LYS A 748 -8.334 -8.332 13.850 1.00 0.00 C ATOM 373 C LYS A 748 -9.836 -8.389 13.560 1.00 0.00 C ATOM 374 O LYS A 748 -10.638 -7.837 14.314 1.00 0.00 O ATOM 375 CB LYS A 748 -7.773 -6.993 13.316 1.00 0.00 C ATOM 376 CG LYS A 748 -8.124 -6.704 11.876 1.00 0.00 C ATOM 377 CD LYS A 748 -7.481 -7.663 10.967 1.00 0.00 C ATOM 378 CE LYS A 748 -8.124 -7.570 9.661 1.00 0.00 C ATOM 379 NZ LYS A 748 -7.493 -8.435 8.693 1.00 0.00 N ATOM 0 H LYS A 748 -8.047 -10.014 12.610 1.00 0.00 H new ATOM 0 HA LYS A 748 -8.188 -8.366 14.930 1.00 0.00 H new ATOM 0 HB2 LYS A 748 -8.147 -6.181 13.939 1.00 0.00 H new ATOM 0 HB3 LYS A 748 -6.688 -7.000 13.419 1.00 0.00 H new ATOM 0 HG2 LYS A 748 -9.206 -6.747 11.747 1.00 0.00 H new ATOM 0 HG3 LYS A 748 -7.812 -5.691 11.620 1.00 0.00 H new ATOM 0 HD2 LYS A 748 -6.416 -7.447 10.881 1.00 0.00 H new ATOM 0 HD3 LYS A 748 -7.570 -8.675 11.361 1.00 0.00 H new ATOM 0 HE2 LYS A 748 -9.177 -7.835 9.754 1.00 0.00 H new ATOM 0 HE3 LYS A 748 -8.085 -6.539 9.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 748 -7.729 -8.112 7.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 748 -6.462 -8.408 8.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 748 -7.833 -9.409 8.824 1.00 0.00 H new ATOM 393 N GLY A 749 -10.223 -9.053 12.493 1.00 0.00 N ATOM 394 CA GLY A 749 -11.591 -8.981 12.088 1.00 0.00 C ATOM 395 C GLY A 749 -12.244 -10.326 12.074 1.00 0.00 C ATOM 396 O GLY A 749 -11.595 -11.328 12.332 1.00 0.00 O ATOM 0 H GLY A 749 -9.620 -9.633 11.909 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -12.135 -8.321 12.764 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -11.652 -8.538 11.094 1.00 0.00 H new ATOM 400 N HIS A 750 -13.508 -10.362 11.759 1.00 0.00 N ATOM 401 CA HIS A 750 -14.230 -11.614 11.690 1.00 0.00 C ATOM 402 C HIS A 750 -14.128 -12.202 10.297 1.00 0.00 C ATOM 403 O HIS A 750 -13.282 -13.051 10.036 1.00 0.00 O ATOM 404 CB HIS A 750 -15.704 -11.464 12.105 1.00 0.00 C ATOM 405 CG HIS A 750 -15.946 -11.249 13.565 1.00 0.00 C ATOM 406 ND1 HIS A 750 -16.402 -12.253 14.396 1.00 0.00 N ATOM 407 CD2 HIS A 750 -15.840 -10.144 14.345 1.00 0.00 C ATOM 408 CE1 HIS A 750 -16.562 -11.764 15.614 1.00 0.00 C ATOM 409 NE2 HIS A 750 -16.227 -10.499 15.600 1.00 0.00 N ATOM 0 H HIS A 750 -14.068 -9.537 11.544 1.00 0.00 H new ATOM 0 HA HIS A 750 -13.766 -12.295 12.403 1.00 0.00 H new ATOM 0 HB2 HIS A 750 -16.134 -10.626 11.557 1.00 0.00 H new ATOM 0 HB3 HIS A 750 -16.243 -12.359 11.794 1.00 0.00 H new ATOM 0 HD2 HIS A 750 -15.510 -9.165 14.029 1.00 0.00 H new ATOM 0 HE1 HIS A 750 -16.910 -12.315 16.475 1.00 0.00 H new ATOM 0 HE2 HIS A 750 -16.252 -9.875 16.406 1.00 0.00 H new ATOM 417 N THR A 751 -14.938 -11.712 9.397 1.00 0.00 N ATOM 418 CA THR A 751 -14.938 -12.206 8.046 1.00 0.00 C ATOM 419 C THR A 751 -14.285 -11.169 7.138 1.00 0.00 C ATOM 420 O THR A 751 -14.369 -9.954 7.404 1.00 0.00 O ATOM 421 CB THR A 751 -16.389 -12.515 7.588 1.00 0.00 C ATOM 422 OG1 THR A 751 -17.259 -12.489 8.733 1.00 0.00 O ATOM 423 CG2 THR A 751 -16.480 -13.915 6.995 1.00 0.00 C ATOM 0 H THR A 751 -15.610 -10.966 9.577 1.00 0.00 H new ATOM 0 HA THR A 751 -14.368 -13.134 7.991 1.00 0.00 H new ATOM 0 HB THR A 751 -16.675 -11.771 6.844 1.00 0.00 H new ATOM 0 HG1 THR A 751 -17.551 -11.569 8.901 1.00 0.00 H new ATOM 0 HG21 THR A 751 -17.505 -14.111 6.681 1.00 0.00 H new ATOM 0 HG22 THR A 751 -15.816 -13.989 6.134 1.00 0.00 H new ATOM 0 HG23 THR A 751 -16.184 -14.648 7.746 1.00 0.00 H new ATOM 431 N ASP A 752 -13.616 -11.650 6.098 1.00 0.00 N ATOM 432 CA ASP A 752 -12.876 -10.828 5.124 1.00 0.00 C ATOM 433 C ASP A 752 -13.760 -9.721 4.563 1.00 0.00 C ATOM 434 O ASP A 752 -13.308 -8.609 4.400 1.00 0.00 O ATOM 435 CB ASP A 752 -12.374 -11.731 3.965 1.00 0.00 C ATOM 436 CG ASP A 752 -11.608 -12.959 4.428 1.00 0.00 C ATOM 437 OD1 ASP A 752 -12.251 -13.957 4.820 1.00 0.00 O ATOM 438 OD2 ASP A 752 -10.373 -12.969 4.418 1.00 0.00 O ATOM 0 H ASP A 752 -13.566 -12.648 5.895 1.00 0.00 H new ATOM 0 HA ASP A 752 -12.028 -10.367 5.631 1.00 0.00 H new ATOM 0 HB2 ASP A 752 -13.230 -12.051 3.371 1.00 0.00 H new ATOM 0 HB3 ASP A 752 -11.733 -11.141 3.309 1.00 0.00 H new ATOM 443 N ALA A 753 -15.041 -10.015 4.376 1.00 0.00 N ATOM 444 CA ALA A 753 -16.012 -9.059 3.829 1.00 0.00 C ATOM 445 C ALA A 753 -16.182 -7.842 4.703 1.00 0.00 C ATOM 446 O ALA A 753 -16.286 -6.738 4.214 1.00 0.00 O ATOM 447 CB ALA A 753 -17.346 -9.710 3.537 1.00 0.00 C ATOM 0 H ALA A 753 -15.443 -10.926 4.599 1.00 0.00 H new ATOM 0 HA ALA A 753 -15.596 -8.717 2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 753 -18.033 -8.966 3.134 1.00 0.00 H new ATOM 0 HB2 ALA A 753 -17.209 -10.510 2.809 1.00 0.00 H new ATOM 0 HB3 ALA A 753 -17.758 -10.124 4.457 1.00 0.00 H new ATOM 453 N GLU A 754 -16.248 -8.071 5.978 1.00 0.00 N ATOM 454 CA GLU A 754 -16.401 -7.027 6.971 1.00 0.00 C ATOM 455 C GLU A 754 -15.213 -6.097 6.988 1.00 0.00 C ATOM 456 O GLU A 754 -15.371 -4.894 7.029 1.00 0.00 O ATOM 457 CB GLU A 754 -16.563 -7.670 8.339 1.00 0.00 C ATOM 458 CG GLU A 754 -17.925 -8.251 8.635 1.00 0.00 C ATOM 459 CD GLU A 754 -17.927 -9.071 9.887 1.00 0.00 C ATOM 460 OE1 GLU A 754 -17.370 -10.185 9.872 1.00 0.00 O ATOM 461 OE2 GLU A 754 -18.475 -8.624 10.913 1.00 0.00 O ATOM 0 H GLU A 754 -16.197 -9.008 6.377 1.00 0.00 H new ATOM 0 HA GLU A 754 -17.282 -6.437 6.718 1.00 0.00 H new ATOM 0 HB2 GLU A 754 -15.822 -8.463 8.437 1.00 0.00 H new ATOM 0 HB3 GLU A 754 -16.334 -6.924 9.100 1.00 0.00 H new ATOM 0 HG2 GLU A 754 -18.650 -7.443 8.730 1.00 0.00 H new ATOM 0 HG3 GLU A 754 -18.245 -8.870 7.796 1.00 0.00 H new ATOM 468 N ILE A 755 -14.049 -6.661 6.928 1.00 0.00 N ATOM 469 CA ILE A 755 -12.814 -5.901 6.992 1.00 0.00 C ATOM 470 C ILE A 755 -12.543 -5.216 5.651 1.00 0.00 C ATOM 471 O ILE A 755 -12.096 -4.074 5.599 1.00 0.00 O ATOM 472 CB ILE A 755 -11.664 -6.841 7.298 1.00 0.00 C ATOM 473 CG1 ILE A 755 -11.977 -7.657 8.535 1.00 0.00 C ATOM 474 CG2 ILE A 755 -10.396 -6.042 7.518 1.00 0.00 C ATOM 475 CD1 ILE A 755 -11.184 -8.917 8.600 1.00 0.00 C ATOM 0 H ILE A 755 -13.914 -7.667 6.833 1.00 0.00 H new ATOM 0 HA ILE A 755 -12.906 -5.146 7.772 1.00 0.00 H new ATOM 0 HB ILE A 755 -11.522 -7.516 6.454 1.00 0.00 H new ATOM 0 HG12 ILE A 755 -11.775 -7.058 9.423 1.00 0.00 H new ATOM 0 HG13 ILE A 755 -13.040 -7.899 8.548 1.00 0.00 H new ATOM 0 HG21 ILE A 755 -9.572 -6.721 7.738 1.00 0.00 H new ATOM 0 HG22 ILE A 755 -10.166 -5.470 6.619 1.00 0.00 H new ATOM 0 HG23 ILE A 755 -10.537 -5.359 8.356 1.00 0.00 H new ATOM 0 HD11 ILE A 755 -11.445 -9.465 9.505 1.00 0.00 H new ATOM 0 HD12 ILE A 755 -11.405 -9.531 7.727 1.00 0.00 H new ATOM 0 HD13 ILE A 755 -10.121 -8.677 8.615 1.00 0.00 H new ATOM 487 N GLU A 756 -12.849 -5.912 4.583 1.00 0.00 N ATOM 488 CA GLU A 756 -12.622 -5.422 3.235 1.00 0.00 C ATOM 489 C GLU A 756 -13.452 -4.150 2.970 1.00 0.00 C ATOM 490 O GLU A 756 -13.015 -3.236 2.307 1.00 0.00 O ATOM 491 CB GLU A 756 -12.951 -6.491 2.212 1.00 0.00 C ATOM 492 CG GLU A 756 -12.481 -6.200 0.800 1.00 0.00 C ATOM 493 CD GLU A 756 -13.033 -7.191 -0.176 1.00 0.00 C ATOM 494 OE1 GLU A 756 -12.463 -8.280 -0.322 1.00 0.00 O ATOM 495 OE2 GLU A 756 -14.073 -6.900 -0.815 1.00 0.00 O ATOM 0 H GLU A 756 -13.266 -6.842 4.620 1.00 0.00 H new ATOM 0 HA GLU A 756 -11.566 -5.170 3.141 1.00 0.00 H new ATOM 0 HB2 GLU A 756 -12.508 -7.432 2.538 1.00 0.00 H new ATOM 0 HB3 GLU A 756 -14.031 -6.636 2.196 1.00 0.00 H new ATOM 0 HG2 GLU A 756 -12.789 -5.195 0.513 1.00 0.00 H new ATOM 0 HG3 GLU A 756 -11.392 -6.222 0.766 1.00 0.00 H new ATOM 502 N ALA A 757 -14.683 -4.185 3.369 1.00 0.00 N ATOM 503 CA ALA A 757 -15.576 -3.042 3.251 1.00 0.00 C ATOM 504 C ALA A 757 -15.192 -1.910 4.222 1.00 0.00 C ATOM 505 O ALA A 757 -15.033 -0.741 3.801 1.00 0.00 O ATOM 506 CB ALA A 757 -16.999 -3.472 3.504 1.00 0.00 C ATOM 0 H ALA A 757 -15.115 -5.007 3.791 1.00 0.00 H new ATOM 0 HA ALA A 757 -15.483 -2.655 2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 757 -17.661 -2.611 3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 757 -17.286 -4.228 2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 757 -17.080 -3.888 4.508 1.00 0.00 H new ATOM 512 N ILE A 758 -14.990 -2.266 5.502 1.00 0.00 N ATOM 513 CA ILE A 758 -14.737 -1.277 6.557 1.00 0.00 C ATOM 514 C ILE A 758 -13.545 -0.410 6.210 1.00 0.00 C ATOM 515 O ILE A 758 -13.616 0.814 6.320 1.00 0.00 O ATOM 516 CB ILE A 758 -14.571 -1.932 7.998 1.00 0.00 C ATOM 517 CG1 ILE A 758 -14.575 -0.871 9.134 1.00 0.00 C ATOM 518 CG2 ILE A 758 -13.321 -2.776 8.096 1.00 0.00 C ATOM 519 CD1 ILE A 758 -13.227 -0.215 9.435 1.00 0.00 C ATOM 0 H ILE A 758 -14.998 -3.232 5.828 1.00 0.00 H new ATOM 0 HA ILE A 758 -15.624 -0.645 6.609 1.00 0.00 H new ATOM 0 HB ILE A 758 -15.439 -2.578 8.130 1.00 0.00 H new ATOM 0 HG12 ILE A 758 -15.288 -0.089 8.873 1.00 0.00 H new ATOM 0 HG13 ILE A 758 -14.940 -1.344 10.046 1.00 0.00 H new ATOM 0 HG21 ILE A 758 -13.248 -3.203 9.096 1.00 0.00 H new ATOM 0 HG22 ILE A 758 -13.366 -3.579 7.361 1.00 0.00 H new ATOM 0 HG23 ILE A 758 -12.446 -2.155 7.902 1.00 0.00 H new ATOM 0 HD11 ILE A 758 -13.346 0.507 10.243 1.00 0.00 H new ATOM 0 HD12 ILE A 758 -12.509 -0.979 9.734 1.00 0.00 H new ATOM 0 HD13 ILE A 758 -12.863 0.295 8.543 1.00 0.00 H new ATOM 531 N PHE A 759 -12.467 -1.032 5.735 1.00 0.00 N ATOM 532 CA PHE A 759 -11.270 -0.302 5.442 1.00 0.00 C ATOM 533 C PHE A 759 -11.496 0.672 4.277 1.00 0.00 C ATOM 534 O PHE A 759 -10.981 1.733 4.261 1.00 0.00 O ATOM 535 CB PHE A 759 -10.077 -1.271 5.145 1.00 0.00 C ATOM 536 CG PHE A 759 -9.945 -1.819 3.709 1.00 0.00 C ATOM 537 CD1 PHE A 759 -9.581 -0.995 2.641 1.00 0.00 C ATOM 538 CD2 PHE A 759 -10.157 -3.147 3.443 1.00 0.00 C ATOM 539 CE1 PHE A 759 -9.460 -1.495 1.370 1.00 0.00 C ATOM 540 CE2 PHE A 759 -10.021 -3.649 2.160 1.00 0.00 C ATOM 541 CZ PHE A 759 -9.680 -2.825 1.133 1.00 0.00 C ATOM 0 H PHE A 759 -12.414 -2.034 5.551 1.00 0.00 H new ATOM 0 HA PHE A 759 -11.008 0.284 6.323 1.00 0.00 H new ATOM 0 HB2 PHE A 759 -9.152 -0.751 5.393 1.00 0.00 H new ATOM 0 HB3 PHE A 759 -10.157 -2.121 5.823 1.00 0.00 H new ATOM 0 HD1 PHE A 759 -9.392 0.053 2.820 1.00 0.00 H new ATOM 0 HD2 PHE A 759 -10.435 -3.812 4.247 1.00 0.00 H new ATOM 0 HE1 PHE A 759 -9.191 -0.839 0.555 1.00 0.00 H new ATOM 0 HE2 PHE A 759 -10.186 -4.700 1.974 1.00 0.00 H new ATOM 0 HZ PHE A 759 -9.583 -3.219 0.132 1.00 0.00 H new ATOM 551 N THR A 760 -12.334 0.324 3.372 1.00 0.00 N ATOM 552 CA THR A 760 -12.547 1.135 2.191 1.00 0.00 C ATOM 553 C THR A 760 -13.031 2.538 2.600 1.00 0.00 C ATOM 554 O THR A 760 -12.640 3.562 2.018 1.00 0.00 O ATOM 555 CB THR A 760 -13.522 0.425 1.229 1.00 0.00 C ATOM 556 OG1 THR A 760 -12.951 -0.841 0.808 1.00 0.00 O ATOM 557 CG2 THR A 760 -13.826 1.266 0.005 1.00 0.00 C ATOM 0 H THR A 760 -12.899 -0.524 3.411 1.00 0.00 H new ATOM 0 HA THR A 760 -11.608 1.263 1.653 1.00 0.00 H new ATOM 0 HB THR A 760 -14.457 0.263 1.766 1.00 0.00 H new ATOM 0 HG1 THR A 760 -13.103 -1.516 1.503 1.00 0.00 H new ATOM 0 HG21 THR A 760 -14.516 0.727 -0.644 1.00 0.00 H new ATOM 0 HG22 THR A 760 -14.279 2.208 0.314 1.00 0.00 H new ATOM 0 HG23 THR A 760 -12.902 1.468 -0.536 1.00 0.00 H new ATOM 565 N LYS A 761 -13.834 2.564 3.642 1.00 0.00 N ATOM 566 CA LYS A 761 -14.361 3.807 4.146 1.00 0.00 C ATOM 567 C LYS A 761 -13.499 4.375 5.311 1.00 0.00 C ATOM 568 O LYS A 761 -13.218 5.567 5.341 1.00 0.00 O ATOM 569 CB LYS A 761 -15.827 3.619 4.531 1.00 0.00 C ATOM 570 CG LYS A 761 -16.668 4.906 4.585 1.00 0.00 C ATOM 571 CD LYS A 761 -18.147 4.575 4.677 1.00 0.00 C ATOM 572 CE LYS A 761 -18.998 5.818 4.737 1.00 0.00 C ATOM 573 NZ LYS A 761 -20.420 5.469 4.869 1.00 0.00 N ATOM 0 H LYS A 761 -14.135 1.735 4.155 1.00 0.00 H new ATOM 0 HA LYS A 761 -14.312 4.559 3.358 1.00 0.00 H new ATOM 0 HB2 LYS A 761 -16.287 2.935 3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 761 -15.869 3.137 5.508 1.00 0.00 H new ATOM 0 HG2 LYS A 761 -16.370 5.506 5.445 1.00 0.00 H new ATOM 0 HG3 LYS A 761 -16.479 5.508 3.696 1.00 0.00 H new ATOM 0 HD2 LYS A 761 -18.439 3.976 3.815 1.00 0.00 H new ATOM 0 HD3 LYS A 761 -18.329 3.967 5.563 1.00 0.00 H new ATOM 0 HE2 LYS A 761 -18.690 6.435 5.581 1.00 0.00 H new ATOM 0 HE3 LYS A 761 -18.846 6.412 3.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 -20.989 6.339 4.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 -20.715 4.899 4.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 -20.564 4.922 5.742 1.00 0.00 H new ATOM 587 N TYR A 762 -13.064 3.520 6.242 1.00 0.00 N ATOM 588 CA TYR A 762 -12.311 3.966 7.425 1.00 0.00 C ATOM 589 C TYR A 762 -10.777 3.885 7.321 1.00 0.00 C ATOM 590 O TYR A 762 -10.079 4.596 8.059 1.00 0.00 O ATOM 591 CB TYR A 762 -12.800 3.272 8.693 1.00 0.00 C ATOM 592 CG TYR A 762 -14.007 3.938 9.318 1.00 0.00 C ATOM 593 CD1 TYR A 762 -13.832 4.996 10.187 1.00 0.00 C ATOM 594 CD2 TYR A 762 -15.310 3.532 9.038 1.00 0.00 C ATOM 595 CE1 TYR A 762 -14.906 5.639 10.761 1.00 0.00 C ATOM 596 CE2 TYR A 762 -16.395 4.169 9.612 1.00 0.00 C ATOM 597 CZ TYR A 762 -16.186 5.222 10.471 1.00 0.00 C ATOM 598 OH TYR A 762 -17.268 5.872 11.042 1.00 0.00 O ATOM 0 H TYR A 762 -13.219 2.513 6.202 1.00 0.00 H new ATOM 0 HA TYR A 762 -12.527 5.033 7.478 1.00 0.00 H new ATOM 0 HB2 TYR A 762 -13.047 2.236 8.459 1.00 0.00 H new ATOM 0 HB3 TYR A 762 -11.989 3.250 9.421 1.00 0.00 H new ATOM 0 HD1 TYR A 762 -12.831 5.327 10.422 1.00 0.00 H new ATOM 0 HD2 TYR A 762 -15.475 2.706 8.362 1.00 0.00 H new ATOM 0 HE1 TYR A 762 -14.745 6.467 11.436 1.00 0.00 H new ATOM 0 HE2 TYR A 762 -17.399 3.842 9.387 1.00 0.00 H new ATOM 0 HH TYR A 762 -18.100 5.456 10.734 1.00 0.00 H new ATOM 608 N ASP A 763 -10.247 3.047 6.432 1.00 0.00 N ATOM 609 CA ASP A 763 -8.771 2.880 6.284 1.00 0.00 C ATOM 610 C ASP A 763 -8.108 4.158 5.842 1.00 0.00 C ATOM 611 O ASP A 763 -8.750 5.016 5.210 1.00 0.00 O ATOM 612 CB ASP A 763 -8.403 1.783 5.275 1.00 0.00 C ATOM 613 CG ASP A 763 -6.895 1.569 5.166 1.00 0.00 C ATOM 614 OD1 ASP A 763 -6.258 1.208 6.160 1.00 0.00 O ATOM 615 OD2 ASP A 763 -6.334 1.909 4.102 1.00 0.00 O ATOM 0 H ASP A 763 -10.799 2.469 5.799 1.00 0.00 H new ATOM 0 HA ASP A 763 -8.412 2.594 7.273 1.00 0.00 H new ATOM 0 HB2 ASP A 763 -8.879 0.848 5.571 1.00 0.00 H new ATOM 0 HB3 ASP A 763 -8.801 2.047 4.295 1.00 0.00 H new ATOM 620 N GLN A 764 -6.834 4.282 6.175 1.00 0.00 N ATOM 621 CA GLN A 764 -6.043 5.416 5.809 1.00 0.00 C ATOM 622 C GLN A 764 -6.057 5.657 4.317 1.00 0.00 C ATOM 623 O GLN A 764 -6.208 6.809 3.878 1.00 0.00 O ATOM 624 CB GLN A 764 -4.598 5.305 6.307 1.00 0.00 C ATOM 625 CG GLN A 764 -4.431 5.336 7.815 1.00 0.00 C ATOM 626 CD GLN A 764 -2.977 5.296 8.232 1.00 0.00 C ATOM 627 OE1 GLN A 764 -2.339 6.331 8.386 1.00 0.00 O ATOM 628 NE2 GLN A 764 -2.443 4.119 8.401 1.00 0.00 N ATOM 0 H GLN A 764 -6.325 3.582 6.714 1.00 0.00 H new ATOM 0 HA GLN A 764 -6.505 6.272 6.302 1.00 0.00 H new ATOM 0 HB2 GLN A 764 -4.170 4.376 5.929 1.00 0.00 H new ATOM 0 HB3 GLN A 764 -4.018 6.121 5.876 1.00 0.00 H new ATOM 0 HG2 GLN A 764 -4.896 6.239 8.211 1.00 0.00 H new ATOM 0 HG3 GLN A 764 -4.956 4.488 8.254 1.00 0.00 H new ATOM 0 HE21 GLN A 764 -3.006 3.279 8.264 1.00 0.00 H new ATOM 0 HE22 GLN A 764 -1.463 4.038 8.670 1.00 0.00 H new ATOM 637 N ASP A 765 -5.883 4.617 3.526 1.00 0.00 N ATOM 638 CA ASP A 765 -5.874 4.839 2.116 1.00 0.00 C ATOM 639 C ASP A 765 -7.098 4.288 1.414 1.00 0.00 C ATOM 640 O ASP A 765 -7.374 4.662 0.278 1.00 0.00 O ATOM 641 CB ASP A 765 -4.613 4.227 1.569 1.00 0.00 C ATOM 642 CG ASP A 765 -4.277 4.716 0.210 1.00 0.00 C ATOM 643 OD1 ASP A 765 -4.308 5.947 -0.003 1.00 0.00 O ATOM 644 OD2 ASP A 765 -3.920 3.920 -0.644 1.00 0.00 O ATOM 0 H ASP A 765 -5.752 3.652 3.829 1.00 0.00 H new ATOM 0 HA ASP A 765 -5.902 5.913 1.930 1.00 0.00 H new ATOM 0 HB2 ASP A 765 -3.786 4.447 2.244 1.00 0.00 H new ATOM 0 HB3 ASP A 765 -4.723 3.143 1.543 1.00 0.00 H new ATOM 649 N GLY A 766 -7.901 3.480 2.112 1.00 0.00 N ATOM 650 CA GLY A 766 -9.116 2.901 1.505 1.00 0.00 C ATOM 651 C GLY A 766 -8.829 1.990 0.297 1.00 0.00 C ATOM 652 O GLY A 766 -9.752 1.430 -0.299 1.00 0.00 O ATOM 0 H GLY A 766 -7.741 3.211 3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 766 -9.652 2.328 2.262 1.00 0.00 H new ATOM 0 HA3 GLY A 766 -9.776 3.710 1.191 1.00 0.00 H new ATOM 656 N ASP A 767 -7.562 1.844 -0.044 1.00 0.00 N ATOM 657 CA ASP A 767 -7.132 1.049 -1.171 1.00 0.00 C ATOM 658 C ASP A 767 -6.866 -0.358 -0.747 1.00 0.00 C ATOM 659 O ASP A 767 -7.562 -1.266 -1.188 1.00 0.00 O ATOM 660 CB ASP A 767 -5.906 1.654 -1.871 1.00 0.00 C ATOM 661 CG ASP A 767 -6.271 2.446 -3.118 1.00 0.00 C ATOM 662 OD1 ASP A 767 -6.933 1.893 -4.006 1.00 0.00 O ATOM 663 OD2 ASP A 767 -5.929 3.643 -3.236 1.00 0.00 O ATOM 0 H ASP A 767 -6.794 2.282 0.464 1.00 0.00 H new ATOM 0 HA ASP A 767 -7.944 1.047 -1.898 1.00 0.00 H new ATOM 0 HB2 ASP A 767 -5.380 2.305 -1.173 1.00 0.00 H new ATOM 0 HB3 ASP A 767 -5.217 0.854 -2.143 1.00 0.00 H new ATOM 668 N GLN A 768 -5.857 -0.522 0.146 1.00 0.00 N ATOM 669 CA GLN A 768 -5.475 -1.808 0.770 1.00 0.00 C ATOM 670 C GLN A 768 -5.604 -3.008 -0.194 1.00 0.00 C ATOM 671 O GLN A 768 -6.604 -3.721 -0.157 1.00 0.00 O ATOM 672 CB GLN A 768 -6.364 -2.018 1.967 1.00 0.00 C ATOM 673 CG GLN A 768 -5.724 -2.614 3.156 1.00 0.00 C ATOM 674 CD GLN A 768 -6.704 -2.670 4.307 1.00 0.00 C ATOM 675 OE1 GLN A 768 -6.824 -1.738 5.068 1.00 0.00 O ATOM 676 NE2 GLN A 768 -7.361 -3.781 4.487 1.00 0.00 N ATOM 0 H GLN A 768 -5.275 0.256 0.457 1.00 0.00 H new ATOM 0 HA GLN A 768 -4.424 -1.755 1.053 1.00 0.00 H new ATOM 0 HB2 GLN A 768 -6.788 -1.055 2.252 1.00 0.00 H new ATOM 0 HB3 GLN A 768 -7.195 -2.657 1.669 1.00 0.00 H new ATOM 0 HG2 GLN A 768 -5.370 -3.618 2.922 1.00 0.00 H new ATOM 0 HG3 GLN A 768 -4.851 -2.026 3.441 1.00 0.00 H new ATOM 0 HE21 GLN A 768 -7.244 -4.554 3.832 1.00 0.00 H new ATOM 0 HE22 GLN A 768 -7.992 -3.877 5.283 1.00 0.00 H new ATOM 685 N GLU A 769 -4.553 -3.240 -0.986 1.00 0.00 N ATOM 686 CA GLU A 769 -4.457 -4.325 -2.046 1.00 0.00 C ATOM 687 C GLU A 769 -3.448 -3.916 -3.130 1.00 0.00 C ATOM 688 O GLU A 769 -3.306 -4.594 -4.125 1.00 0.00 O ATOM 689 CB GLU A 769 -5.842 -4.766 -2.691 1.00 0.00 C ATOM 690 CG GLU A 769 -6.567 -3.798 -3.647 1.00 0.00 C ATOM 691 CD GLU A 769 -6.229 -4.006 -5.106 1.00 0.00 C ATOM 692 OE1 GLU A 769 -6.627 -5.040 -5.683 1.00 0.00 O ATOM 693 OE2 GLU A 769 -5.606 -3.141 -5.716 1.00 0.00 O ATOM 0 H GLU A 769 -3.704 -2.677 -0.929 1.00 0.00 H new ATOM 0 HA GLU A 769 -4.106 -5.214 -1.522 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -5.670 -5.696 -3.233 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -6.526 -4.995 -1.874 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -7.643 -3.911 -3.514 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -6.317 -2.774 -3.369 1.00 0.00 H new ATOM 700 N LEU A 770 -2.640 -2.889 -2.850 1.00 0.00 N ATOM 701 CA LEU A 770 -1.772 -2.321 -3.892 1.00 0.00 C ATOM 702 C LEU A 770 -0.326 -2.683 -3.678 1.00 0.00 C ATOM 703 O LEU A 770 0.223 -2.462 -2.586 1.00 0.00 O ATOM 704 CB LEU A 770 -1.915 -0.779 -4.042 1.00 0.00 C ATOM 705 CG LEU A 770 -3.039 -0.221 -4.927 1.00 0.00 C ATOM 706 CD1 LEU A 770 -4.377 -0.591 -4.409 1.00 0.00 C ATOM 707 CD2 LEU A 770 -2.910 1.276 -5.048 1.00 0.00 C ATOM 0 H LEU A 770 -2.567 -2.442 -1.936 1.00 0.00 H new ATOM 0 HA LEU A 770 -2.115 -2.771 -4.824 1.00 0.00 H new ATOM 0 HB2 LEU A 770 -2.043 -0.361 -3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 770 -0.970 -0.396 -4.429 1.00 0.00 H new ATOM 0 HG LEU A 770 -2.939 -0.666 -5.917 1.00 0.00 H new ATOM 0 HD11 LEU A 770 -5.147 -0.178 -5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 770 -4.469 -1.677 -4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 770 -4.501 -0.190 -3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 770 -3.712 1.661 -5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 770 -2.977 1.728 -4.058 1.00 0.00 H new ATOM 0 HD23 LEU A 770 -1.947 1.523 -5.495 1.00 0.00 H new ATOM 719 N THR A 771 0.288 -3.249 -4.686 1.00 0.00 N ATOM 720 CA THR A 771 1.667 -3.634 -4.588 1.00 0.00 C ATOM 721 C THR A 771 2.590 -2.450 -4.898 1.00 0.00 C ATOM 722 O THR A 771 2.138 -1.404 -5.407 1.00 0.00 O ATOM 723 CB THR A 771 2.037 -4.876 -5.481 1.00 0.00 C ATOM 724 OG1 THR A 771 2.740 -4.480 -6.646 1.00 0.00 O ATOM 725 CG2 THR A 771 0.816 -5.635 -5.934 1.00 0.00 C ATOM 0 H THR A 771 -0.149 -3.452 -5.585 1.00 0.00 H new ATOM 0 HA THR A 771 1.820 -3.944 -3.554 1.00 0.00 H new ATOM 0 HB THR A 771 2.658 -5.515 -4.853 1.00 0.00 H new ATOM 0 HG1 THR A 771 3.532 -5.046 -6.758 1.00 0.00 H new ATOM 0 HG21 THR A 771 1.121 -6.483 -6.547 1.00 0.00 H new ATOM 0 HG22 THR A 771 0.268 -5.995 -5.063 1.00 0.00 H new ATOM 0 HG23 THR A 771 0.175 -4.976 -6.519 1.00 0.00 H new ATOM 733 N GLU A 772 3.876 -2.614 -4.568 1.00 0.00 N ATOM 734 CA GLU A 772 4.902 -1.619 -4.806 1.00 0.00 C ATOM 735 C GLU A 772 4.967 -1.301 -6.281 1.00 0.00 C ATOM 736 O GLU A 772 5.115 -0.167 -6.650 1.00 0.00 O ATOM 737 CB GLU A 772 6.246 -2.104 -4.243 1.00 0.00 C ATOM 738 CG GLU A 772 7.374 -1.067 -4.238 1.00 0.00 C ATOM 739 CD GLU A 772 8.463 -1.374 -5.242 1.00 0.00 C ATOM 740 OE1 GLU A 772 9.327 -2.229 -4.945 1.00 0.00 O ATOM 741 OE2 GLU A 772 8.480 -0.782 -6.334 1.00 0.00 O ATOM 0 H GLU A 772 4.229 -3.460 -4.121 1.00 0.00 H new ATOM 0 HA GLU A 772 4.657 -0.694 -4.285 1.00 0.00 H new ATOM 0 HB2 GLU A 772 6.088 -2.448 -3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 772 6.573 -2.967 -4.823 1.00 0.00 H new ATOM 0 HG2 GLU A 772 6.957 -0.083 -4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 772 7.810 -1.018 -3.240 1.00 0.00 H new ATOM 748 N HIS A 773 4.741 -2.327 -7.105 1.00 0.00 N ATOM 749 CA HIS A 773 4.772 -2.196 -8.558 1.00 0.00 C ATOM 750 C HIS A 773 3.688 -1.235 -9.006 1.00 0.00 C ATOM 751 O HIS A 773 3.934 -0.329 -9.790 1.00 0.00 O ATOM 752 CB HIS A 773 4.542 -3.567 -9.239 1.00 0.00 C ATOM 753 CG HIS A 773 5.498 -4.632 -8.848 1.00 0.00 C ATOM 754 ND1 HIS A 773 5.233 -5.553 -7.848 1.00 0.00 N ATOM 755 CD2 HIS A 773 6.691 -4.952 -9.341 1.00 0.00 C ATOM 756 CE1 HIS A 773 6.248 -6.396 -7.763 1.00 0.00 C ATOM 757 NE2 HIS A 773 7.141 -6.052 -8.655 1.00 0.00 N ATOM 0 H HIS A 773 4.532 -3.271 -6.780 1.00 0.00 H new ATOM 0 HA HIS A 773 5.753 -1.817 -8.847 1.00 0.00 H new ATOM 0 HB2 HIS A 773 3.532 -3.905 -9.009 1.00 0.00 H new ATOM 0 HB3 HIS A 773 4.594 -3.432 -10.319 1.00 0.00 H new ATOM 0 HD2 HIS A 773 7.211 -4.439 -10.137 1.00 0.00 H new ATOM 0 HE1 HIS A 773 6.326 -7.225 -7.076 1.00 0.00 H new ATOM 0 HE2 HIS A 773 8.030 -6.526 -8.815 1.00 0.00 H new ATOM 765 N GLU A 774 2.506 -1.390 -8.433 1.00 0.00 N ATOM 766 CA GLU A 774 1.351 -0.584 -8.839 1.00 0.00 C ATOM 767 C GLU A 774 1.486 0.835 -8.299 1.00 0.00 C ATOM 768 O GLU A 774 1.269 1.830 -9.014 1.00 0.00 O ATOM 769 CB GLU A 774 0.043 -1.205 -8.351 1.00 0.00 C ATOM 770 CG GLU A 774 -0.103 -2.685 -8.698 1.00 0.00 C ATOM 771 CD GLU A 774 -1.343 -3.266 -8.095 1.00 0.00 C ATOM 772 OE1 GLU A 774 -1.340 -3.579 -6.903 1.00 0.00 O ATOM 773 OE2 GLU A 774 -2.348 -3.428 -8.812 1.00 0.00 O ATOM 0 H GLU A 774 2.315 -2.061 -7.689 1.00 0.00 H new ATOM 0 HA GLU A 774 1.328 -0.555 -9.928 1.00 0.00 H new ATOM 0 HB2 GLU A 774 -0.023 -1.087 -7.269 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -0.793 -0.656 -8.784 1.00 0.00 H new ATOM 0 HG2 GLU A 774 -0.132 -2.805 -9.781 1.00 0.00 H new ATOM 0 HG3 GLU A 774 0.769 -3.232 -8.340 1.00 0.00 H new