USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 384 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 Single : A 684 HIS : no HD1:sc= -0.769 X(o=-0.77,f=-0.46) USER MOD Single : A 685 HIS : no HD1:sc= -0.0348 X(o=-0.035,f=0) USER MOD Single : A 686 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 687 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 697 SER OG : rot 180:sc= -0.433 USER MOD Single : A 698 ASN : amide:sc= 0.221 K(o=0.22,f=-3.6!) USER MOD Single : A 699 LYS NZ :NH3+ -147:sc= -0.041 (180deg=-0.562) USER MOD Single : A 706 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 714 THR OG1 : rot -21:sc= 1.05 USER MOD Single : A 719 THR OG1 : rot -67:sc= 0.18 USER MOD Single : A 722 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 724 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 725 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.353) USER MOD Single : A 726 LYS NZ :NH3+ 152:sc= -0.0888 (180deg=-0.762) USER MOD Single : A 727 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 728 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 683 61.968 7.909 -21.599 1.00 0.00 N ATOM 2 CA VAL A 683 61.121 8.586 -20.624 1.00 0.00 C ATOM 3 C VAL A 683 61.477 8.138 -19.207 1.00 0.00 C ATOM 4 O VAL A 683 60.824 7.260 -18.639 1.00 0.00 O ATOM 5 CB VAL A 683 59.644 8.285 -20.913 1.00 0.00 C ATOM 6 CG1 VAL A 683 58.753 9.194 -20.059 1.00 0.00 C ATOM 7 CG2 VAL A 683 59.351 8.532 -22.397 1.00 0.00 C ATOM 0 HA VAL A 683 61.288 9.660 -20.703 1.00 0.00 H new ATOM 0 HB VAL A 683 59.436 7.243 -20.669 1.00 0.00 H new ATOM 0 HG11 VAL A 683 57.705 8.977 -20.268 1.00 0.00 H new ATOM 0 HG12 VAL A 683 58.957 9.016 -19.003 1.00 0.00 H new ATOM 0 HG13 VAL A 683 58.962 10.237 -20.298 1.00 0.00 H new ATOM 0 HG21 VAL A 683 58.302 8.318 -22.601 1.00 0.00 H new ATOM 0 HG22 VAL A 683 59.563 9.573 -22.641 1.00 0.00 H new ATOM 0 HG23 VAL A 683 59.979 7.881 -23.005 1.00 0.00 H new ATOM 16 N HIS A 684 62.579 8.670 -18.687 1.00 0.00 N ATOM 17 CA HIS A 684 63.075 8.259 -17.374 1.00 0.00 C ATOM 18 C HIS A 684 62.344 9.015 -16.270 1.00 0.00 C ATOM 19 O HIS A 684 62.209 10.239 -16.327 1.00 0.00 O ATOM 20 CB HIS A 684 64.588 8.518 -17.258 1.00 0.00 C ATOM 21 CG HIS A 684 65.114 9.131 -18.529 1.00 0.00 C ATOM 22 ND1 HIS A 684 65.512 8.358 -19.610 1.00 0.00 N ATOM 23 CD2 HIS A 684 65.191 10.435 -18.955 1.00 0.00 C ATOM 24 CE1 HIS A 684 65.934 9.198 -20.571 1.00 0.00 C ATOM 25 NE2 HIS A 684 65.681 10.471 -20.257 1.00 0.00 N ATOM 0 H HIS A 684 63.144 9.382 -19.150 1.00 0.00 H new ATOM 0 HA HIS A 684 62.889 7.191 -17.263 1.00 0.00 H new ATOM 0 HB2 HIS A 684 64.786 9.182 -16.417 1.00 0.00 H new ATOM 0 HB3 HIS A 684 65.109 7.582 -17.055 1.00 0.00 H new ATOM 0 HD2 HIS A 684 64.914 11.299 -18.369 1.00 0.00 H new ATOM 0 HE1 HIS A 684 66.418 8.882 -21.484 1.00 0.00 H new ATOM 0 HE2 HIS A 684 65.818 11.293 -20.845 1.00 0.00 H new ATOM 33 N HIS A 685 61.824 8.273 -15.294 1.00 0.00 N ATOM 34 CA HIS A 685 61.080 8.877 -14.193 1.00 0.00 C ATOM 35 C HIS A 685 62.006 9.168 -13.014 1.00 0.00 C ATOM 36 O HIS A 685 63.153 8.719 -12.989 1.00 0.00 O ATOM 37 CB HIS A 685 59.955 7.938 -13.743 1.00 0.00 C ATOM 38 CG HIS A 685 58.621 8.588 -14.002 1.00 0.00 C ATOM 39 ND1 HIS A 685 57.716 8.073 -14.916 1.00 0.00 N ATOM 40 CD2 HIS A 685 58.080 9.773 -13.569 1.00 0.00 C ATOM 41 CE1 HIS A 685 56.641 8.882 -14.921 1.00 0.00 C ATOM 42 NE2 HIS A 685 56.836 9.964 -14.164 1.00 0.00 N ATOM 0 H HIS A 685 61.904 7.257 -15.244 1.00 0.00 H new ATOM 0 HA HIS A 685 60.651 9.816 -14.543 1.00 0.00 H new ATOM 0 HB2 HIS A 685 60.020 6.992 -14.280 1.00 0.00 H new ATOM 0 HB3 HIS A 685 60.060 7.710 -12.682 1.00 0.00 H new ATOM 0 HD2 HIS A 685 58.548 10.453 -12.873 1.00 0.00 H new ATOM 0 HE1 HIS A 685 55.733 8.681 -15.470 1.00 0.00 H new ATOM 0 HE2 HIS A 685 56.209 10.760 -14.047 1.00 0.00 H new ATOM 50 N GLN A 686 61.460 9.822 -11.991 1.00 0.00 N ATOM 51 CA GLN A 686 62.229 10.138 -10.790 1.00 0.00 C ATOM 52 C GLN A 686 62.055 9.047 -9.736 1.00 0.00 C ATOM 53 O GLN A 686 61.392 8.036 -9.979 1.00 0.00 O ATOM 54 CB GLN A 686 61.768 11.483 -10.217 1.00 0.00 C ATOM 55 CG GLN A 686 62.354 12.626 -11.051 1.00 0.00 C ATOM 56 CD GLN A 686 61.566 13.910 -10.801 1.00 0.00 C ATOM 57 OE1 GLN A 686 60.807 14.351 -11.664 1.00 0.00 O ATOM 58 NE2 GLN A 686 61.675 14.519 -9.653 1.00 0.00 N ATOM 0 H GLN A 686 60.492 10.142 -11.970 1.00 0.00 H new ATOM 0 HA GLN A 686 63.283 10.198 -11.061 1.00 0.00 H new ATOM 0 HB2 GLN A 686 60.679 11.537 -10.221 1.00 0.00 H new ATOM 0 HB3 GLN A 686 62.088 11.576 -9.179 1.00 0.00 H new ATOM 0 HG2 GLN A 686 63.402 12.776 -10.792 1.00 0.00 H new ATOM 0 HG3 GLN A 686 62.321 12.369 -12.110 1.00 0.00 H new ATOM 0 HE21 GLN A 686 62.304 14.152 -8.939 1.00 0.00 H new ATOM 0 HE22 GLN A 686 61.131 15.362 -9.469 1.00 0.00 H new ATOM 67 N LYS A 687 62.708 9.232 -8.591 1.00 0.00 N ATOM 68 CA LYS A 687 62.642 8.255 -7.507 1.00 0.00 C ATOM 69 C LYS A 687 61.501 8.594 -6.548 1.00 0.00 C ATOM 70 O LYS A 687 61.714 8.772 -5.348 1.00 0.00 O ATOM 71 CB LYS A 687 63.974 8.228 -6.746 1.00 0.00 C ATOM 72 CG LYS A 687 64.447 9.662 -6.469 1.00 0.00 C ATOM 73 CD LYS A 687 65.469 10.082 -7.532 1.00 0.00 C ATOM 74 CE LYS A 687 65.498 11.610 -7.643 1.00 0.00 C ATOM 75 NZ LYS A 687 66.668 12.025 -8.466 1.00 0.00 N1+ ATOM 0 H LYS A 687 63.287 10.047 -8.390 1.00 0.00 H new ATOM 0 HA LYS A 687 62.454 7.271 -7.937 1.00 0.00 H new ATOM 0 HB2 LYS A 687 63.855 7.687 -5.807 1.00 0.00 H new ATOM 0 HB3 LYS A 687 64.725 7.694 -7.329 1.00 0.00 H new ATOM 0 HG2 LYS A 687 63.597 10.344 -6.478 1.00 0.00 H new ATOM 0 HG3 LYS A 687 64.894 9.723 -5.477 1.00 0.00 H new ATOM 0 HD2 LYS A 687 66.458 9.708 -7.268 1.00 0.00 H new ATOM 0 HD3 LYS A 687 65.209 9.642 -8.495 1.00 0.00 H new ATOM 0 HE2 LYS A 687 64.575 11.970 -8.097 1.00 0.00 H new ATOM 0 HE3 LYS A 687 65.561 12.056 -6.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 66.689 13.062 -8.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 67.545 11.693 -8.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 66.589 11.610 -9.416 1.00 0.00 H new ATOM 89 N LEU A 688 60.291 8.697 -7.094 1.00 0.00 N ATOM 90 CA LEU A 688 59.110 8.986 -6.281 1.00 0.00 C ATOM 91 C LEU A 688 58.033 7.928 -6.506 1.00 0.00 C ATOM 92 O LEU A 688 57.155 7.739 -5.663 1.00 0.00 O ATOM 93 CB LEU A 688 58.556 10.369 -6.644 1.00 0.00 C ATOM 94 CG LEU A 688 58.717 11.320 -5.452 1.00 0.00 C ATOM 95 CD1 LEU A 688 58.409 12.753 -5.899 1.00 0.00 C ATOM 96 CD2 LEU A 688 57.756 10.914 -4.328 1.00 0.00 C ATOM 0 H LEU A 688 60.102 8.586 -8.090 1.00 0.00 H new ATOM 0 HA LEU A 688 59.400 8.973 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 688 59.083 10.766 -7.512 1.00 0.00 H new ATOM 0 HB3 LEU A 688 57.504 10.289 -6.918 1.00 0.00 H new ATOM 0 HG LEU A 688 59.741 11.265 -5.083 1.00 0.00 H new ATOM 0 HD11 LEU A 688 58.523 13.431 -5.053 1.00 0.00 H new ATOM 0 HD12 LEU A 688 59.099 13.043 -6.692 1.00 0.00 H new ATOM 0 HD13 LEU A 688 57.386 12.806 -6.271 1.00 0.00 H new ATOM 0 HD21 LEU A 688 57.875 11.593 -3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 688 56.730 10.963 -4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 688 57.979 9.896 -4.009 1.00 0.00 H new ATOM 108 N VAL A 689 58.189 7.154 -7.577 1.00 0.00 N ATOM 109 CA VAL A 689 57.209 6.127 -7.921 1.00 0.00 C ATOM 110 C VAL A 689 57.215 5.008 -6.880 1.00 0.00 C ATOM 111 O VAL A 689 56.247 4.255 -6.764 1.00 0.00 O ATOM 112 CB VAL A 689 57.525 5.544 -9.307 1.00 0.00 C ATOM 113 CG1 VAL A 689 56.263 4.905 -9.897 1.00 0.00 C ATOM 114 CG2 VAL A 689 58.015 6.659 -10.240 1.00 0.00 C ATOM 0 H VAL A 689 58.980 7.217 -8.218 1.00 0.00 H new ATOM 0 HA VAL A 689 56.220 6.586 -7.937 1.00 0.00 H new ATOM 0 HB VAL A 689 58.304 4.788 -9.207 1.00 0.00 H new ATOM 0 HG11 VAL A 689 56.490 4.492 -10.880 1.00 0.00 H new ATOM 0 HG12 VAL A 689 55.918 4.107 -9.239 1.00 0.00 H new ATOM 0 HG13 VAL A 689 55.483 5.660 -9.992 1.00 0.00 H new ATOM 0 HG21 VAL A 689 58.238 6.240 -11.221 1.00 0.00 H new ATOM 0 HG22 VAL A 689 57.240 7.419 -10.337 1.00 0.00 H new ATOM 0 HG23 VAL A 689 58.916 7.111 -9.825 1.00 0.00 H new ATOM 124 N PHE A 690 58.218 5.035 -6.003 1.00 0.00 N ATOM 125 CA PHE A 690 58.315 4.057 -4.923 1.00 0.00 C ATOM 126 C PHE A 690 57.344 4.412 -3.795 1.00 0.00 C ATOM 127 O PHE A 690 56.496 3.601 -3.416 1.00 0.00 O ATOM 128 CB PHE A 690 59.764 4.011 -4.402 1.00 0.00 C ATOM 129 CG PHE A 690 59.795 4.050 -2.889 1.00 0.00 C ATOM 130 CD1 PHE A 690 59.505 2.896 -2.150 1.00 0.00 C ATOM 131 CD2 PHE A 690 60.164 5.227 -2.226 1.00 0.00 C ATOM 132 CE1 PHE A 690 59.401 2.971 -0.756 1.00 0.00 C ATOM 133 CE2 PHE A 690 60.086 5.297 -0.831 1.00 0.00 C ATOM 134 CZ PHE A 690 59.714 4.165 -0.094 1.00 0.00 C ATOM 0 H PHE A 690 58.972 5.722 -6.020 1.00 0.00 H new ATOM 0 HA PHE A 690 58.044 3.072 -5.302 1.00 0.00 H new ATOM 0 HB2 PHE A 690 60.254 3.104 -4.757 1.00 0.00 H new ATOM 0 HB3 PHE A 690 60.326 4.854 -4.803 1.00 0.00 H new ATOM 0 HD1 PHE A 690 59.362 1.952 -2.654 1.00 0.00 H new ATOM 0 HD2 PHE A 690 60.509 6.080 -2.791 1.00 0.00 H new ATOM 0 HE1 PHE A 690 59.080 2.108 -0.191 1.00 0.00 H new ATOM 0 HE2 PHE A 690 60.312 6.223 -0.323 1.00 0.00 H new ATOM 0 HZ PHE A 690 59.669 4.213 0.984 1.00 0.00 H new ATOM 144 N PHE A 691 57.435 5.647 -3.309 1.00 0.00 N ATOM 145 CA PHE A 691 56.596 6.090 -2.201 1.00 0.00 C ATOM 146 C PHE A 691 55.165 6.322 -2.675 1.00 0.00 C ATOM 147 O PHE A 691 54.208 6.038 -1.953 1.00 0.00 O ATOM 148 CB PHE A 691 57.163 7.385 -1.606 1.00 0.00 C ATOM 149 CG PHE A 691 56.181 7.969 -0.614 1.00 0.00 C ATOM 150 CD1 PHE A 691 56.163 7.507 0.709 1.00 0.00 C ATOM 151 CD2 PHE A 691 55.230 8.906 -1.038 1.00 0.00 C ATOM 152 CE1 PHE A 691 55.205 7.997 1.605 1.00 0.00 C ATOM 153 CE2 PHE A 691 54.177 9.262 -0.188 1.00 0.00 C ATOM 154 CZ PHE A 691 54.188 8.845 1.148 1.00 0.00 C ATOM 0 H PHE A 691 58.078 6.355 -3.663 1.00 0.00 H new ATOM 0 HA PHE A 691 56.589 5.314 -1.436 1.00 0.00 H new ATOM 0 HB2 PHE A 691 58.114 7.183 -1.114 1.00 0.00 H new ATOM 0 HB3 PHE A 691 57.362 8.104 -2.401 1.00 0.00 H new ATOM 0 HD1 PHE A 691 56.886 6.775 1.037 1.00 0.00 H new ATOM 0 HD2 PHE A 691 55.309 9.352 -2.018 1.00 0.00 H new ATOM 0 HE1 PHE A 691 55.250 7.721 2.648 1.00 0.00 H new ATOM 0 HE2 PHE A 691 53.357 9.857 -0.562 1.00 0.00 H new ATOM 0 HZ PHE A 691 53.414 9.176 1.825 1.00 0.00 H new ATOM 164 N ALA A 692 55.031 6.892 -3.870 1.00 0.00 N ATOM 165 CA ALA A 692 53.715 7.184 -4.429 1.00 0.00 C ATOM 166 C ALA A 692 52.934 5.897 -4.684 1.00 0.00 C ATOM 167 O ALA A 692 51.712 5.924 -4.840 1.00 0.00 O ATOM 168 CB ALA A 692 53.871 7.957 -5.741 1.00 0.00 C ATOM 0 H ALA A 692 55.814 7.159 -4.467 1.00 0.00 H new ATOM 0 HA ALA A 692 53.162 7.788 -3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 692 52.886 8.173 -6.155 1.00 0.00 H new ATOM 0 HB2 ALA A 692 54.398 8.892 -5.552 1.00 0.00 H new ATOM 0 HB3 ALA A 692 54.440 7.357 -6.451 1.00 0.00 H new ATOM 174 N GLU A 693 53.635 4.765 -4.630 1.00 0.00 N ATOM 175 CA GLU A 693 52.988 3.463 -4.769 1.00 0.00 C ATOM 176 C GLU A 693 52.132 3.151 -3.544 1.00 0.00 C ATOM 177 O GLU A 693 51.219 2.326 -3.609 1.00 0.00 O ATOM 178 CB GLU A 693 54.048 2.371 -4.942 1.00 0.00 C ATOM 179 CG GLU A 693 53.493 1.248 -5.823 1.00 0.00 C ATOM 180 CD GLU A 693 53.506 1.677 -7.289 1.00 0.00 C ATOM 181 OE1 GLU A 693 54.587 1.750 -7.853 1.00 0.00 O1- ATOM 182 OE2 GLU A 693 52.453 2.033 -7.789 1.00 0.00 O ATOM 0 H GLU A 693 54.645 4.724 -4.492 1.00 0.00 H new ATOM 0 HA GLU A 693 52.344 3.492 -5.648 1.00 0.00 H new ATOM 0 HB2 GLU A 693 54.946 2.791 -5.394 1.00 0.00 H new ATOM 0 HB3 GLU A 693 54.337 1.974 -3.969 1.00 0.00 H new ATOM 0 HG2 GLU A 693 54.090 0.345 -5.695 1.00 0.00 H new ATOM 0 HG3 GLU A 693 52.476 1.003 -5.516 1.00 0.00 H new ATOM 189 N ASP A 694 52.416 3.837 -2.439 1.00 0.00 N ATOM 190 CA ASP A 694 51.721 3.574 -1.182 1.00 0.00 C ATOM 191 C ASP A 694 50.240 3.929 -1.297 1.00 0.00 C ATOM 192 O ASP A 694 49.426 3.503 -0.476 1.00 0.00 O ATOM 193 CB ASP A 694 52.357 4.398 -0.060 1.00 0.00 C ATOM 194 CG ASP A 694 52.082 3.745 1.292 1.00 0.00 C ATOM 195 OD1 ASP A 694 52.758 2.780 1.609 1.00 0.00 O ATOM 196 OD2 ASP A 694 51.172 4.192 1.969 1.00 0.00 O1- ATOM 0 H ASP A 694 53.118 4.575 -2.389 1.00 0.00 H new ATOM 0 HA ASP A 694 51.808 2.511 -0.955 1.00 0.00 H new ATOM 0 HB2 ASP A 694 53.432 4.478 -0.222 1.00 0.00 H new ATOM 0 HB3 ASP A 694 51.957 5.412 -0.071 1.00 0.00 H new ATOM 201 N VAL A 695 49.888 4.626 -2.373 1.00 0.00 N ATOM 202 CA VAL A 695 48.486 4.871 -2.694 1.00 0.00 C ATOM 203 C VAL A 695 47.747 3.551 -2.920 1.00 0.00 C ATOM 204 O VAL A 695 46.665 3.335 -2.373 1.00 0.00 O ATOM 205 CB VAL A 695 48.388 5.742 -3.953 1.00 0.00 C ATOM 206 CG1 VAL A 695 46.916 5.908 -4.356 1.00 0.00 C ATOM 207 CG2 VAL A 695 48.996 7.121 -3.668 1.00 0.00 C ATOM 0 H VAL A 695 50.551 5.030 -3.035 1.00 0.00 H new ATOM 0 HA VAL A 695 48.022 5.390 -1.855 1.00 0.00 H new ATOM 0 HB VAL A 695 48.933 5.262 -4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 695 46.851 6.527 -5.251 1.00 0.00 H new ATOM 0 HG12 VAL A 695 46.482 4.929 -4.560 1.00 0.00 H new ATOM 0 HG13 VAL A 695 46.368 6.386 -3.544 1.00 0.00 H new ATOM 0 HG21 VAL A 695 48.927 7.741 -4.562 1.00 0.00 H new ATOM 0 HG22 VAL A 695 48.451 7.597 -2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 695 50.043 7.006 -3.386 1.00 0.00 H new ATOM 217 N GLY A 696 48.331 2.683 -3.742 1.00 0.00 N ATOM 218 CA GLY A 696 47.678 1.428 -4.105 1.00 0.00 C ATOM 219 C GLY A 696 46.526 1.675 -5.075 1.00 0.00 C ATOM 220 O GLY A 696 46.599 2.566 -5.922 1.00 0.00 O ATOM 0 H GLY A 696 49.248 2.823 -4.167 1.00 0.00 H new ATOM 0 HA2 GLY A 696 48.404 0.754 -4.560 1.00 0.00 H new ATOM 0 HA3 GLY A 696 47.304 0.935 -3.208 1.00 0.00 H new ATOM 224 N SER A 697 45.508 0.816 -5.009 1.00 0.00 N ATOM 225 CA SER A 697 44.324 0.973 -5.853 1.00 0.00 C ATOM 226 C SER A 697 43.153 0.163 -5.292 1.00 0.00 C ATOM 227 O SER A 697 42.775 0.333 -4.133 1.00 0.00 O ATOM 228 CB SER A 697 44.640 0.520 -7.283 1.00 0.00 C ATOM 229 OG SER A 697 44.928 -0.870 -7.289 1.00 0.00 O ATOM 0 H SER A 697 45.479 0.010 -4.384 1.00 0.00 H new ATOM 0 HA SER A 697 44.041 2.026 -5.865 1.00 0.00 H new ATOM 0 HB2 SER A 697 43.793 0.729 -7.937 1.00 0.00 H new ATOM 0 HB3 SER A 697 45.490 1.080 -7.673 1.00 0.00 H new ATOM 0 HG SER A 697 45.128 -1.159 -8.204 1.00 0.00 H new ATOM 235 N ASN A 698 42.549 -0.671 -6.138 1.00 0.00 N ATOM 236 CA ASN A 698 41.381 -1.453 -5.736 1.00 0.00 C ATOM 237 C ASN A 698 41.760 -2.501 -4.690 1.00 0.00 C ATOM 238 O ASN A 698 42.941 -2.696 -4.394 1.00 0.00 O ATOM 239 CB ASN A 698 40.777 -2.150 -6.962 1.00 0.00 C ATOM 240 CG ASN A 698 39.263 -1.956 -6.990 1.00 0.00 C ATOM 241 OD1 ASN A 698 38.598 -2.110 -5.965 1.00 0.00 O ATOM 242 ND2 ASN A 698 38.670 -1.678 -8.119 1.00 0.00 N ATOM 0 H ASN A 698 42.848 -0.822 -7.102 1.00 0.00 H new ATOM 0 HA ASN A 698 40.648 -0.774 -5.299 1.00 0.00 H new ATOM 0 HB2 ASN A 698 41.219 -1.746 -7.873 1.00 0.00 H new ATOM 0 HB3 ASN A 698 41.014 -3.214 -6.937 1.00 0.00 H new ATOM 0 HD21 ASN A 698 37.655 -1.588 -8.153 1.00 0.00 H new ATOM 0 HD22 ASN A 698 39.222 -1.551 -8.967 1.00 0.00 H new ATOM 249 N LYS A 699 40.767 -3.275 -4.253 1.00 0.00 N ATOM 250 CA LYS A 699 40.985 -4.284 -3.220 1.00 0.00 C ATOM 251 C LYS A 699 41.674 -5.512 -3.806 1.00 0.00 C ATOM 252 O LYS A 699 42.581 -6.074 -3.192 1.00 0.00 O ATOM 253 CB LYS A 699 39.646 -4.696 -2.603 1.00 0.00 C ATOM 254 CG LYS A 699 39.306 -3.758 -1.441 1.00 0.00 C ATOM 255 CD LYS A 699 37.956 -4.159 -0.830 1.00 0.00 C ATOM 256 CE LYS A 699 36.917 -3.073 -1.123 1.00 0.00 C ATOM 257 NZ LYS A 699 37.310 -1.810 -0.438 1.00 0.00 N1+ ATOM 0 H LYS A 699 39.808 -3.222 -4.597 1.00 0.00 H new ATOM 0 HA LYS A 699 41.625 -3.855 -2.449 1.00 0.00 H new ATOM 0 HB2 LYS A 699 38.860 -4.658 -3.357 1.00 0.00 H new ATOM 0 HB3 LYS A 699 39.698 -5.726 -2.249 1.00 0.00 H new ATOM 0 HG2 LYS A 699 40.088 -3.805 -0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 699 39.265 -2.727 -1.793 1.00 0.00 H new ATOM 0 HD2 LYS A 699 37.627 -5.112 -1.244 1.00 0.00 H new ATOM 0 HD3 LYS A 699 38.059 -4.297 0.246 1.00 0.00 H new ATOM 0 HE2 LYS A 699 36.842 -2.908 -2.198 1.00 0.00 H new ATOM 0 HE3 LYS A 699 35.933 -3.394 -0.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 36.456 -1.292 -0.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 37.882 -2.034 0.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 37.867 -1.221 -1.089 1.00 0.00 H new ATOM 271 N GLY A 700 41.125 -6.018 -4.909 1.00 0.00 N ATOM 272 CA GLY A 700 41.680 -7.202 -5.558 1.00 0.00 C ATOM 273 C GLY A 700 43.103 -6.943 -6.046 1.00 0.00 C ATOM 274 O GLY A 700 43.928 -7.855 -6.083 1.00 0.00 O ATOM 0 H GLY A 700 40.302 -5.629 -5.369 1.00 0.00 H new ATOM 0 HA2 GLY A 700 41.678 -8.038 -4.859 1.00 0.00 H new ATOM 0 HA3 GLY A 700 41.050 -7.489 -6.400 1.00 0.00 H new ATOM 278 N ALA A 701 43.429 -5.665 -6.231 1.00 0.00 N ATOM 279 CA ALA A 701 44.775 -5.276 -6.640 1.00 0.00 C ATOM 280 C ALA A 701 45.771 -5.495 -5.504 1.00 0.00 C ATOM 281 O ALA A 701 46.956 -5.719 -5.745 1.00 0.00 O ATOM 282 CB ALA A 701 44.788 -3.804 -7.056 1.00 0.00 C ATOM 0 H ALA A 701 42.783 -4.886 -6.105 1.00 0.00 H new ATOM 0 HA ALA A 701 45.069 -5.897 -7.486 1.00 0.00 H new ATOM 0 HB1 ALA A 701 45.796 -3.521 -7.360 1.00 0.00 H new ATOM 0 HB2 ALA A 701 44.102 -3.656 -7.890 1.00 0.00 H new ATOM 0 HB3 ALA A 701 44.475 -3.185 -6.215 1.00 0.00 H new ATOM 288 N ILE A 702 45.280 -5.432 -4.267 1.00 0.00 N ATOM 289 CA ILE A 702 46.134 -5.619 -3.095 1.00 0.00 C ATOM 290 C ILE A 702 46.955 -6.901 -3.227 1.00 0.00 C ATOM 291 O ILE A 702 48.147 -6.914 -2.920 1.00 0.00 O ATOM 292 CB ILE A 702 45.270 -5.690 -1.829 1.00 0.00 C ATOM 293 CG1 ILE A 702 44.513 -4.366 -1.643 1.00 0.00 C ATOM 294 CG2 ILE A 702 46.159 -5.958 -0.608 1.00 0.00 C ATOM 295 CD1 ILE A 702 45.439 -3.308 -1.031 1.00 0.00 C ATOM 0 H ILE A 702 44.299 -5.254 -4.051 1.00 0.00 H new ATOM 0 HA ILE A 702 46.816 -4.772 -3.025 1.00 0.00 H new ATOM 0 HB ILE A 702 44.550 -6.502 -1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 702 44.135 -4.017 -2.604 1.00 0.00 H new ATOM 0 HG13 ILE A 702 43.649 -4.521 -0.997 1.00 0.00 H new ATOM 0 HG21 ILE A 702 45.541 -6.007 0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 702 46.683 -6.905 -0.740 1.00 0.00 H new ATOM 0 HG23 ILE A 702 46.886 -5.153 -0.503 1.00 0.00 H new ATOM 0 HD11 ILE A 702 44.891 -2.374 -0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 702 45.796 -3.654 -0.061 1.00 0.00 H new ATOM 0 HD13 ILE A 702 46.289 -3.142 -1.692 1.00 0.00 H new ATOM 307 N ILE A 703 46.358 -7.906 -3.862 1.00 0.00 N ATOM 308 CA ILE A 703 47.022 -9.193 -4.044 1.00 0.00 C ATOM 309 C ILE A 703 48.244 -9.039 -4.945 1.00 0.00 C ATOM 310 O ILE A 703 49.362 -9.370 -4.547 1.00 0.00 O ATOM 311 CB ILE A 703 46.047 -10.200 -4.665 1.00 0.00 C ATOM 312 CG1 ILE A 703 44.731 -10.196 -3.875 1.00 0.00 C ATOM 313 CG2 ILE A 703 46.665 -11.603 -4.625 1.00 0.00 C ATOM 314 CD1 ILE A 703 43.720 -11.129 -4.548 1.00 0.00 C ATOM 0 H ILE A 703 45.419 -7.854 -4.258 1.00 0.00 H new ATOM 0 HA ILE A 703 47.347 -9.558 -3.069 1.00 0.00 H new ATOM 0 HB ILE A 703 45.848 -9.921 -5.700 1.00 0.00 H new ATOM 0 HG12 ILE A 703 44.911 -10.518 -2.849 1.00 0.00 H new ATOM 0 HG13 ILE A 703 44.329 -9.184 -3.825 1.00 0.00 H new ATOM 0 HG21 ILE A 703 45.972 -12.319 -5.067 1.00 0.00 H new ATOM 0 HG22 ILE A 703 47.598 -11.606 -5.189 1.00 0.00 H new ATOM 0 HG23 ILE A 703 46.866 -11.883 -3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 703 42.787 -11.123 -3.984 1.00 0.00 H new ATOM 0 HD12 ILE A 703 43.531 -10.787 -5.566 1.00 0.00 H new ATOM 0 HD13 ILE A 703 44.121 -12.142 -4.574 1.00 0.00 H new ATOM 326 N GLY A 704 48.056 -8.339 -6.061 1.00 0.00 N ATOM 327 CA GLY A 704 49.119 -8.179 -7.045 1.00 0.00 C ATOM 328 C GLY A 704 50.101 -7.089 -6.618 1.00 0.00 C ATOM 329 O GLY A 704 51.314 -7.248 -6.760 1.00 0.00 O ATOM 0 H GLY A 704 47.180 -7.876 -6.304 1.00 0.00 H new ATOM 0 HA2 GLY A 704 49.650 -9.123 -7.169 1.00 0.00 H new ATOM 0 HA3 GLY A 704 48.688 -7.926 -8.014 1.00 0.00 H new ATOM 333 N LEU A 705 49.576 -6.032 -5.997 1.00 0.00 N ATOM 334 CA LEU A 705 50.423 -4.964 -5.467 1.00 0.00 C ATOM 335 C LEU A 705 51.376 -5.503 -4.406 1.00 0.00 C ATOM 336 O LEU A 705 52.495 -5.009 -4.261 1.00 0.00 O ATOM 337 CB LEU A 705 49.558 -3.856 -4.854 1.00 0.00 C ATOM 338 CG LEU A 705 48.732 -3.166 -5.947 1.00 0.00 C ATOM 339 CD1 LEU A 705 47.704 -2.238 -5.291 1.00 0.00 C ATOM 340 CD2 LEU A 705 49.654 -2.344 -6.851 1.00 0.00 C ATOM 0 H LEU A 705 48.576 -5.893 -5.850 1.00 0.00 H new ATOM 0 HA LEU A 705 51.007 -4.557 -6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 705 48.895 -4.278 -4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 705 50.192 -3.126 -4.351 1.00 0.00 H new ATOM 0 HG LEU A 705 48.221 -3.920 -6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 705 47.114 -1.745 -6.063 1.00 0.00 H new ATOM 0 HD12 LEU A 705 47.045 -2.822 -4.648 1.00 0.00 H new ATOM 0 HD13 LEU A 705 48.221 -1.487 -4.694 1.00 0.00 H new ATOM 0 HD21 LEU A 705 49.063 -1.856 -7.626 1.00 0.00 H new ATOM 0 HD22 LEU A 705 50.168 -1.589 -6.256 1.00 0.00 H new ATOM 0 HD23 LEU A 705 50.389 -3.002 -7.315 1.00 0.00 H new ATOM 352 N MET A 706 50.958 -6.564 -3.717 1.00 0.00 N ATOM 353 CA MET A 706 51.774 -7.146 -2.656 1.00 0.00 C ATOM 354 C MET A 706 53.111 -7.633 -3.211 1.00 0.00 C ATOM 355 O MET A 706 54.143 -7.523 -2.548 1.00 0.00 O ATOM 356 CB MET A 706 51.034 -8.321 -2.009 1.00 0.00 C ATOM 357 CG MET A 706 51.745 -8.729 -0.714 1.00 0.00 C ATOM 358 SD MET A 706 52.153 -10.492 -0.778 1.00 0.00 S ATOM 359 CE MET A 706 51.878 -10.863 0.973 1.00 0.00 C ATOM 0 H MET A 706 50.066 -7.034 -3.874 1.00 0.00 H new ATOM 0 HA MET A 706 51.961 -6.376 -1.907 1.00 0.00 H new ATOM 0 HB2 MET A 706 50.002 -8.041 -1.796 1.00 0.00 H new ATOM 0 HB3 MET A 706 50.999 -9.165 -2.698 1.00 0.00 H new ATOM 0 HG2 MET A 706 52.652 -8.139 -0.584 1.00 0.00 H new ATOM 0 HG3 MET A 706 51.106 -8.524 0.145 1.00 0.00 H new ATOM 0 HE1 MET A 706 52.077 -11.919 1.157 1.00 0.00 H new ATOM 0 HE2 MET A 706 52.547 -10.256 1.583 1.00 0.00 H new ATOM 0 HE3 MET A 706 50.844 -10.638 1.235 1.00 0.00 H new ATOM 369 N VAL A 707 53.098 -8.060 -4.471 1.00 0.00 N ATOM 370 CA VAL A 707 54.313 -8.538 -5.122 1.00 0.00 C ATOM 371 C VAL A 707 55.361 -7.431 -5.178 1.00 0.00 C ATOM 372 O VAL A 707 56.488 -7.611 -4.714 1.00 0.00 O ATOM 373 CB VAL A 707 53.990 -9.014 -6.543 1.00 0.00 C ATOM 374 CG1 VAL A 707 55.273 -9.497 -7.226 1.00 0.00 C ATOM 375 CG2 VAL A 707 52.979 -10.166 -6.486 1.00 0.00 C ATOM 0 H VAL A 707 52.264 -8.085 -5.058 1.00 0.00 H new ATOM 0 HA VAL A 707 54.712 -9.370 -4.542 1.00 0.00 H new ATOM 0 HB VAL A 707 53.564 -8.186 -7.110 1.00 0.00 H new ATOM 0 HG11 VAL A 707 55.042 -9.835 -8.236 1.00 0.00 H new ATOM 0 HG12 VAL A 707 55.991 -8.678 -7.273 1.00 0.00 H new ATOM 0 HG13 VAL A 707 55.700 -10.322 -6.656 1.00 0.00 H new ATOM 0 HG21 VAL A 707 52.752 -10.501 -7.498 1.00 0.00 H new ATOM 0 HG22 VAL A 707 53.402 -10.993 -5.916 1.00 0.00 H new ATOM 0 HG23 VAL A 707 52.064 -9.823 -6.004 1.00 0.00 H new ATOM 385 N GLY A 708 54.927 -6.239 -5.581 1.00 0.00 N ATOM 386 CA GLY A 708 55.821 -5.085 -5.637 1.00 0.00 C ATOM 387 C GLY A 708 55.958 -4.433 -4.264 1.00 0.00 C ATOM 388 O GLY A 708 56.808 -3.563 -4.066 1.00 0.00 O ATOM 0 H GLY A 708 53.968 -6.047 -5.872 1.00 0.00 H new ATOM 0 HA2 GLY A 708 56.802 -5.397 -5.995 1.00 0.00 H new ATOM 0 HA3 GLY A 708 55.437 -4.358 -6.352 1.00 0.00 H new ATOM 392 N GLY A 709 55.182 -4.922 -3.299 1.00 0.00 N ATOM 393 CA GLY A 709 55.160 -4.326 -1.967 1.00 0.00 C ATOM 394 C GLY A 709 56.300 -4.863 -1.106 1.00 0.00 C ATOM 395 O GLY A 709 56.347 -4.613 0.099 1.00 0.00 O ATOM 0 H GLY A 709 54.564 -5.725 -3.414 1.00 0.00 H new ATOM 0 HA2 GLY A 709 55.241 -3.242 -2.049 1.00 0.00 H new ATOM 0 HA3 GLY A 709 54.205 -4.539 -1.486 1.00 0.00 H new ATOM 399 N VAL A 710 57.244 -5.553 -1.743 1.00 0.00 N ATOM 400 CA VAL A 710 58.381 -6.125 -1.029 1.00 0.00 C ATOM 401 C VAL A 710 59.338 -5.026 -0.579 1.00 0.00 C ATOM 402 O VAL A 710 59.847 -5.054 0.543 1.00 0.00 O ATOM 403 CB VAL A 710 59.121 -7.116 -1.937 1.00 0.00 C ATOM 404 CG1 VAL A 710 60.408 -7.589 -1.250 1.00 0.00 C ATOM 405 CG2 VAL A 710 58.220 -8.324 -2.219 1.00 0.00 C ATOM 0 H VAL A 710 57.244 -5.728 -2.748 1.00 0.00 H new ATOM 0 HA VAL A 710 58.010 -6.648 -0.148 1.00 0.00 H new ATOM 0 HB VAL A 710 59.374 -6.622 -2.875 1.00 0.00 H new ATOM 0 HG11 VAL A 710 60.929 -8.292 -1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 710 61.051 -6.732 -1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 710 60.159 -8.080 -0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 710 58.746 -9.028 -2.864 1.00 0.00 H new ATOM 0 HG22 VAL A 710 57.964 -8.814 -1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 710 57.308 -7.990 -2.714 1.00 0.00 H new ATOM 415 N VAL A 711 59.648 -4.109 -1.491 1.00 0.00 N ATOM 416 CA VAL A 711 60.616 -3.056 -1.206 1.00 0.00 C ATOM 417 C VAL A 711 60.067 -2.100 -0.152 1.00 0.00 C ATOM 418 O VAL A 711 60.720 -1.845 0.860 1.00 0.00 O ATOM 419 CB VAL A 711 60.940 -2.275 -2.486 1.00 0.00 C ATOM 420 CG1 VAL A 711 62.262 -1.521 -2.304 1.00 0.00 C ATOM 421 CG2 VAL A 711 61.066 -3.246 -3.665 1.00 0.00 C ATOM 0 H VAL A 711 59.246 -4.074 -2.428 1.00 0.00 H new ATOM 0 HA VAL A 711 61.526 -3.520 -0.826 1.00 0.00 H new ATOM 0 HB VAL A 711 60.139 -1.564 -2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 711 62.492 -0.966 -3.213 1.00 0.00 H new ATOM 0 HG12 VAL A 711 62.173 -0.827 -1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 711 63.062 -2.233 -2.101 1.00 0.00 H new ATOM 0 HG21 VAL A 711 61.296 -2.688 -4.573 1.00 0.00 H new ATOM 0 HG22 VAL A 711 61.865 -3.959 -3.465 1.00 0.00 H new ATOM 0 HG23 VAL A 711 60.126 -3.782 -3.797 1.00 0.00 H new ATOM 431 N ILE A 712 58.790 -1.758 -0.291 1.00 0.00 N ATOM 432 CA ILE A 712 58.121 -0.910 0.689 1.00 0.00 C ATOM 433 C ILE A 712 58.022 -1.620 2.037 1.00 0.00 C ATOM 434 O ILE A 712 58.242 -1.009 3.083 1.00 0.00 O ATOM 435 CB ILE A 712 56.717 -0.544 0.191 1.00 0.00 C ATOM 436 CG1 ILE A 712 56.832 0.309 -1.081 1.00 0.00 C ATOM 437 CG2 ILE A 712 55.975 0.249 1.272 1.00 0.00 C ATOM 438 CD1 ILE A 712 55.906 -0.252 -2.164 1.00 0.00 C ATOM 0 H ILE A 712 58.200 -2.053 -1.069 1.00 0.00 H new ATOM 0 HA ILE A 712 58.708 -0.000 0.817 1.00 0.00 H new ATOM 0 HB ILE A 712 56.164 -1.457 -0.030 1.00 0.00 H new ATOM 0 HG12 ILE A 712 56.567 1.343 -0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 712 57.863 0.313 -1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 712 54.978 0.507 0.914 1.00 0.00 H new ATOM 0 HG22 ILE A 712 55.891 -0.357 2.174 1.00 0.00 H new ATOM 0 HG23 ILE A 712 56.527 1.161 1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 712 55.990 0.356 -3.065 1.00 0.00 H new ATOM 0 HD12 ILE A 712 56.192 -1.279 -2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 712 54.876 -0.232 -1.808 1.00 0.00 H new ATOM 450 N ALA A 713 57.867 -2.942 1.994 1.00 0.00 N ATOM 451 CA ALA A 713 57.796 -3.733 3.218 1.00 0.00 C ATOM 452 C ALA A 713 59.061 -3.545 4.052 1.00 0.00 C ATOM 453 O ALA A 713 59.000 -2.984 5.146 1.00 0.00 O ATOM 454 CB ALA A 713 57.617 -5.216 2.878 1.00 0.00 C ATOM 0 H ALA A 713 57.789 -3.483 1.133 1.00 0.00 H new ATOM 0 HA ALA A 713 56.939 -3.392 3.798 1.00 0.00 H new ATOM 0 HB1 ALA A 713 57.565 -5.797 3.799 1.00 0.00 H new ATOM 0 HB2 ALA A 713 56.695 -5.351 2.312 1.00 0.00 H new ATOM 0 HB3 ALA A 713 58.463 -5.557 2.281 1.00 0.00 H new ATOM 460 N THR A 714 60.213 -3.750 3.416 1.00 0.00 N ATOM 461 CA THR A 714 61.492 -3.663 4.116 1.00 0.00 C ATOM 462 C THR A 714 61.719 -2.251 4.649 1.00 0.00 C ATOM 463 O THR A 714 62.166 -2.077 5.783 1.00 0.00 O ATOM 464 CB THR A 714 62.638 -4.044 3.171 1.00 0.00 C ATOM 465 OG1 THR A 714 62.644 -3.169 2.052 1.00 0.00 O ATOM 466 CG2 THR A 714 62.455 -5.486 2.690 1.00 0.00 C ATOM 0 H THR A 714 60.287 -3.976 2.424 1.00 0.00 H new ATOM 0 HA THR A 714 61.469 -4.357 4.956 1.00 0.00 H new ATOM 0 HB THR A 714 63.585 -3.959 3.704 1.00 0.00 H new ATOM 0 HG1 THR A 714 61.762 -2.752 1.958 1.00 0.00 H new ATOM 0 HG21 THR A 714 63.272 -5.752 2.019 1.00 0.00 H new ATOM 0 HG22 THR A 714 62.456 -6.159 3.548 1.00 0.00 H new ATOM 0 HG23 THR A 714 61.506 -5.575 2.160 1.00 0.00 H new ATOM 474 N VAL A 715 61.229 -1.261 3.907 1.00 0.00 N ATOM 475 CA VAL A 715 61.372 0.136 4.310 1.00 0.00 C ATOM 476 C VAL A 715 60.593 0.405 5.595 1.00 0.00 C ATOM 477 O VAL A 715 61.171 0.818 6.601 1.00 0.00 O ATOM 478 CB VAL A 715 60.859 1.054 3.192 1.00 0.00 C ATOM 479 CG1 VAL A 715 60.959 2.517 3.636 1.00 0.00 C ATOM 480 CG2 VAL A 715 61.703 0.846 1.930 1.00 0.00 C ATOM 0 H VAL A 715 60.732 -1.399 3.027 1.00 0.00 H new ATOM 0 HA VAL A 715 62.427 0.340 4.492 1.00 0.00 H new ATOM 0 HB VAL A 715 59.818 0.812 2.979 1.00 0.00 H new ATOM 0 HG11 VAL A 715 60.594 3.165 2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 715 60.356 2.668 4.531 1.00 0.00 H new ATOM 0 HG13 VAL A 715 61.999 2.761 3.854 1.00 0.00 H new ATOM 0 HG21 VAL A 715 61.338 1.498 1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 715 62.745 1.084 2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 715 61.628 -0.193 1.609 1.00 0.00 H new ATOM 490 N ILE A 716 59.334 -0.028 5.610 1.00 0.00 N ATOM 491 CA ILE A 716 58.463 0.197 6.759 1.00 0.00 C ATOM 492 C ILE A 716 58.861 -0.717 7.920 1.00 0.00 C ATOM 493 O ILE A 716 58.749 -0.339 9.087 1.00 0.00 O ATOM 494 CB ILE A 716 57.000 -0.060 6.353 1.00 0.00 C ATOM 495 CG1 ILE A 716 56.367 1.244 5.848 1.00 0.00 C ATOM 496 CG2 ILE A 716 56.196 -0.574 7.554 1.00 0.00 C ATOM 497 CD1 ILE A 716 57.152 1.779 4.647 1.00 0.00 C ATOM 0 H ILE A 716 58.896 -0.535 4.841 1.00 0.00 H new ATOM 0 HA ILE A 716 58.568 1.231 7.088 1.00 0.00 H new ATOM 0 HB ILE A 716 56.985 -0.810 5.563 1.00 0.00 H new ATOM 0 HG12 ILE A 716 55.329 1.068 5.565 1.00 0.00 H new ATOM 0 HG13 ILE A 716 56.358 1.986 6.646 1.00 0.00 H new ATOM 0 HG21 ILE A 716 55.164 -0.751 7.252 1.00 0.00 H new ATOM 0 HG22 ILE A 716 56.634 -1.505 7.913 1.00 0.00 H new ATOM 0 HG23 ILE A 716 56.218 0.169 8.351 1.00 0.00 H new ATOM 0 HD11 ILE A 716 56.695 2.704 4.296 1.00 0.00 H new ATOM 0 HD12 ILE A 716 58.183 1.973 4.943 1.00 0.00 H new ATOM 0 HD13 ILE A 716 57.138 1.041 3.845 1.00 0.00 H new ATOM 509 N VAL A 717 59.364 -1.903 7.587 1.00 0.00 N ATOM 510 CA VAL A 717 59.761 -2.873 8.603 1.00 0.00 C ATOM 511 C VAL A 717 61.054 -2.432 9.285 1.00 0.00 C ATOM 512 O VAL A 717 61.174 -2.496 10.509 1.00 0.00 O ATOM 513 CB VAL A 717 59.959 -4.252 7.960 1.00 0.00 C ATOM 514 CG1 VAL A 717 60.518 -5.232 8.998 1.00 0.00 C ATOM 515 CG2 VAL A 717 58.616 -4.775 7.436 1.00 0.00 C ATOM 0 H VAL A 717 59.506 -2.214 6.626 1.00 0.00 H new ATOM 0 HA VAL A 717 58.972 -2.934 9.352 1.00 0.00 H new ATOM 0 HB VAL A 717 60.662 -4.162 7.132 1.00 0.00 H new ATOM 0 HG11 VAL A 717 60.657 -6.210 8.537 1.00 0.00 H new ATOM 0 HG12 VAL A 717 61.476 -4.865 9.366 1.00 0.00 H new ATOM 0 HG13 VAL A 717 59.819 -5.319 9.830 1.00 0.00 H new ATOM 0 HG21 VAL A 717 58.760 -5.754 6.980 1.00 0.00 H new ATOM 0 HG22 VAL A 717 57.911 -4.860 8.263 1.00 0.00 H new ATOM 0 HG23 VAL A 717 58.221 -4.083 6.692 1.00 0.00 H new ATOM 525 N ILE A 718 61.978 -1.891 8.494 1.00 0.00 N ATOM 526 CA ILE A 718 63.259 -1.434 9.024 1.00 0.00 C ATOM 527 C ILE A 718 63.052 -0.263 9.983 1.00 0.00 C ATOM 528 O ILE A 718 63.749 -0.147 10.991 1.00 0.00 O ATOM 529 CB ILE A 718 64.180 -1.009 7.871 1.00 0.00 C ATOM 530 CG1 ILE A 718 64.787 -2.258 7.220 1.00 0.00 C ATOM 531 CG2 ILE A 718 65.306 -0.113 8.405 1.00 0.00 C ATOM 532 CD1 ILE A 718 65.350 -1.904 5.840 1.00 0.00 C ATOM 0 H ILE A 718 61.864 -1.759 7.489 1.00 0.00 H new ATOM 0 HA ILE A 718 63.724 -2.255 9.570 1.00 0.00 H new ATOM 0 HB ILE A 718 63.601 -0.454 7.133 1.00 0.00 H new ATOM 0 HG12 ILE A 718 65.578 -2.661 7.853 1.00 0.00 H new ATOM 0 HG13 ILE A 718 64.028 -3.035 7.125 1.00 0.00 H new ATOM 0 HG21 ILE A 718 65.955 0.185 7.582 1.00 0.00 H new ATOM 0 HG22 ILE A 718 64.876 0.775 8.867 1.00 0.00 H new ATOM 0 HG23 ILE A 718 65.888 -0.662 9.146 1.00 0.00 H new ATOM 0 HD11 ILE A 718 65.780 -2.795 5.383 1.00 0.00 H new ATOM 0 HD12 ILE A 718 64.549 -1.522 5.207 1.00 0.00 H new ATOM 0 HD13 ILE A 718 66.123 -1.143 5.947 1.00 0.00 H new ATOM 544 N THR A 719 62.031 0.545 9.710 1.00 0.00 N ATOM 545 CA THR A 719 61.662 1.624 10.621 1.00 0.00 C ATOM 546 C THR A 719 61.205 1.058 11.962 1.00 0.00 C ATOM 547 O THR A 719 61.782 1.384 12.997 1.00 0.00 O ATOM 548 CB THR A 719 60.544 2.478 10.007 1.00 0.00 C ATOM 549 OG1 THR A 719 60.127 1.911 8.773 1.00 0.00 O ATOM 550 CG2 THR A 719 61.060 3.899 9.765 1.00 0.00 C ATOM 0 H THR A 719 61.450 0.475 8.875 1.00 0.00 H new ATOM 0 HA THR A 719 62.539 2.251 10.785 1.00 0.00 H new ATOM 0 HB THR A 719 59.698 2.508 10.694 1.00 0.00 H new ATOM 0 HG1 THR A 719 60.854 1.978 8.120 1.00 0.00 H new ATOM 0 HG21 THR A 719 60.266 4.505 9.329 1.00 0.00 H new ATOM 0 HG22 THR A 719 61.374 4.338 10.712 1.00 0.00 H new ATOM 0 HG23 THR A 719 61.908 3.867 9.082 1.00 0.00 H new ATOM 558 N LEU A 720 60.361 0.029 11.903 1.00 0.00 N ATOM 559 CA LEU A 720 59.782 -0.549 13.114 1.00 0.00 C ATOM 560 C LEU A 720 60.875 -1.108 14.024 1.00 0.00 C ATOM 561 O LEU A 720 60.799 -0.972 15.246 1.00 0.00 O ATOM 562 CB LEU A 720 58.803 -1.667 12.744 1.00 0.00 C ATOM 563 CG LEU A 720 57.420 -1.067 12.458 1.00 0.00 C ATOM 564 CD1 LEU A 720 56.655 -1.981 11.497 1.00 0.00 C ATOM 565 CD2 LEU A 720 56.639 -0.933 13.769 1.00 0.00 C ATOM 0 H LEU A 720 60.065 -0.419 11.036 1.00 0.00 H new ATOM 0 HA LEU A 720 59.251 0.239 13.648 1.00 0.00 H new ATOM 0 HB2 LEU A 720 59.165 -2.206 11.868 1.00 0.00 H new ATOM 0 HB3 LEU A 720 58.736 -2.389 13.558 1.00 0.00 H new ATOM 0 HG LEU A 720 57.538 -0.083 12.005 1.00 0.00 H new ATOM 0 HD11 LEU A 720 55.673 -1.555 11.294 1.00 0.00 H new ATOM 0 HD12 LEU A 720 57.210 -2.074 10.564 1.00 0.00 H new ATOM 0 HD13 LEU A 720 56.537 -2.966 11.948 1.00 0.00 H new ATOM 0 HD21 LEU A 720 55.657 -0.507 13.565 1.00 0.00 H new ATOM 0 HD22 LEU A 720 56.521 -1.916 14.224 1.00 0.00 H new ATOM 0 HD23 LEU A 720 57.183 -0.280 14.452 1.00 0.00 H new ATOM 577 N VAL A 721 61.967 -1.562 13.412 1.00 0.00 N ATOM 578 CA VAL A 721 63.110 -2.061 14.172 1.00 0.00 C ATOM 579 C VAL A 721 63.727 -0.944 15.010 1.00 0.00 C ATOM 580 O VAL A 721 64.004 -1.128 16.195 1.00 0.00 O ATOM 581 CB VAL A 721 64.166 -2.630 13.216 1.00 0.00 C ATOM 582 CG1 VAL A 721 65.407 -3.052 14.009 1.00 0.00 C ATOM 583 CG2 VAL A 721 63.589 -3.847 12.483 1.00 0.00 C ATOM 0 H VAL A 721 62.084 -1.595 12.399 1.00 0.00 H new ATOM 0 HA VAL A 721 62.762 -2.849 14.839 1.00 0.00 H new ATOM 0 HB VAL A 721 64.445 -1.866 12.490 1.00 0.00 H new ATOM 0 HG11 VAL A 721 66.155 -3.456 13.327 1.00 0.00 H new ATOM 0 HG12 VAL A 721 65.819 -2.186 14.528 1.00 0.00 H new ATOM 0 HG13 VAL A 721 65.131 -3.815 14.737 1.00 0.00 H new ATOM 0 HG21 VAL A 721 64.339 -4.252 11.803 1.00 0.00 H new ATOM 0 HG22 VAL A 721 63.308 -4.610 13.209 1.00 0.00 H new ATOM 0 HG23 VAL A 721 62.709 -3.546 11.914 1.00 0.00 H new ATOM 593 N MET A 722 63.823 0.246 14.421 1.00 0.00 N ATOM 594 CA MET A 722 64.412 1.387 15.112 1.00 0.00 C ATOM 595 C MET A 722 63.385 2.060 16.021 1.00 0.00 C ATOM 596 O MET A 722 63.743 2.635 17.049 1.00 0.00 O ATOM 597 CB MET A 722 64.940 2.402 14.093 1.00 0.00 C ATOM 598 CG MET A 722 66.037 3.253 14.740 1.00 0.00 C ATOM 599 SD MET A 722 67.637 2.426 14.549 1.00 0.00 S ATOM 600 CE MET A 722 68.308 2.837 16.180 1.00 0.00 C ATOM 0 H MET A 722 63.502 0.443 13.473 1.00 0.00 H new ATOM 0 HA MET A 722 65.237 1.025 15.726 1.00 0.00 H new ATOM 0 HB2 MET A 722 65.335 1.884 13.219 1.00 0.00 H new ATOM 0 HB3 MET A 722 64.128 3.040 13.745 1.00 0.00 H new ATOM 0 HG2 MET A 722 66.068 4.239 14.276 1.00 0.00 H new ATOM 0 HG3 MET A 722 65.818 3.405 15.797 1.00 0.00 H new ATOM 0 HE1 MET A 722 69.309 2.416 16.278 1.00 0.00 H new ATOM 0 HE2 MET A 722 68.357 3.920 16.291 1.00 0.00 H new ATOM 0 HE3 MET A 722 67.662 2.422 16.954 1.00 0.00 H new ATOM 610 N LEU A 723 62.104 1.851 15.716 1.00 0.00 N ATOM 611 CA LEU A 723 61.029 2.361 16.564 1.00 0.00 C ATOM 612 C LEU A 723 60.916 1.540 17.848 1.00 0.00 C ATOM 613 O LEU A 723 60.064 1.817 18.695 1.00 0.00 O ATOM 614 CB LEU A 723 59.693 2.314 15.811 1.00 0.00 C ATOM 615 CG LEU A 723 59.718 3.295 14.632 1.00 0.00 C ATOM 616 CD1 LEU A 723 58.435 3.128 13.812 1.00 0.00 C ATOM 617 CD2 LEU A 723 59.807 4.732 15.151 1.00 0.00 C ATOM 0 H LEU A 723 61.788 1.336 14.894 1.00 0.00 H new ATOM 0 HA LEU A 723 61.264 3.393 16.824 1.00 0.00 H new ATOM 0 HB2 LEU A 723 59.506 1.303 15.449 1.00 0.00 H new ATOM 0 HB3 LEU A 723 58.876 2.567 16.487 1.00 0.00 H new ATOM 0 HG LEU A 723 60.587 3.087 14.007 1.00 0.00 H new ATOM 0 HD11 LEU A 723 58.447 3.823 12.972 1.00 0.00 H new ATOM 0 HD12 LEU A 723 58.373 2.106 13.437 1.00 0.00 H new ATOM 0 HD13 LEU A 723 57.571 3.336 14.443 1.00 0.00 H new ATOM 0 HD21 LEU A 723 59.824 5.423 14.308 1.00 0.00 H new ATOM 0 HD22 LEU A 723 58.942 4.947 15.778 1.00 0.00 H new ATOM 0 HD23 LEU A 723 60.718 4.851 15.737 1.00 0.00 H new ATOM 629 N LYS A 724 61.835 0.588 18.024 1.00 0.00 N ATOM 630 CA LYS A 724 61.855 -0.242 19.227 1.00 0.00 C ATOM 631 C LYS A 724 61.899 0.623 20.485 1.00 0.00 C ATOM 632 O LYS A 724 62.389 1.752 20.455 1.00 0.00 O ATOM 633 CB LYS A 724 63.072 -1.174 19.202 1.00 0.00 C ATOM 634 CG LYS A 724 64.365 -0.351 19.132 1.00 0.00 C ATOM 635 CD LYS A 724 65.571 -1.296 19.076 1.00 0.00 C ATOM 636 CE LYS A 724 66.861 -0.482 18.923 1.00 0.00 C ATOM 637 NZ LYS A 724 67.714 -0.667 20.131 1.00 0.00 N1+ ATOM 0 H LYS A 724 62.571 0.374 17.351 1.00 0.00 H new ATOM 0 HA LYS A 724 60.941 -0.836 19.245 1.00 0.00 H new ATOM 0 HB2 LYS A 724 63.078 -1.801 20.094 1.00 0.00 H new ATOM 0 HB3 LYS A 724 63.010 -1.843 18.343 1.00 0.00 H new ATOM 0 HG2 LYS A 724 64.352 0.292 18.252 1.00 0.00 H new ATOM 0 HG3 LYS A 724 64.441 0.301 20.002 1.00 0.00 H new ATOM 0 HD2 LYS A 724 65.615 -1.898 19.984 1.00 0.00 H new ATOM 0 HD3 LYS A 724 65.465 -1.987 18.240 1.00 0.00 H new ATOM 0 HE2 LYS A 724 67.401 -0.801 18.032 1.00 0.00 H new ATOM 0 HE3 LYS A 724 66.624 0.574 18.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 724 68.589 -0.114 20.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 724 67.198 -0.342 20.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 724 67.951 -1.674 20.238 1.00 0.00 H new ATOM 651 N LYS A 725 61.482 0.042 21.607 1.00 0.00 N ATOM 652 CA LYS A 725 61.467 0.761 22.875 1.00 0.00 C ATOM 653 C LYS A 725 62.705 0.416 23.702 1.00 0.00 C ATOM 654 O LYS A 725 62.639 0.332 24.930 1.00 0.00 O ATOM 655 CB LYS A 725 60.199 0.404 23.658 1.00 0.00 C ATOM 656 CG LYS A 725 59.784 1.588 24.534 1.00 0.00 C ATOM 657 CD LYS A 725 58.908 1.089 25.687 1.00 0.00 C ATOM 658 CE LYS A 725 58.014 2.228 26.184 1.00 0.00 C ATOM 659 NZ LYS A 725 58.847 3.432 26.461 1.00 0.00 N1+ ATOM 0 H LYS A 725 61.151 -0.921 21.663 1.00 0.00 H new ATOM 0 HA LYS A 725 61.475 1.832 22.670 1.00 0.00 H new ATOM 0 HB2 LYS A 725 59.394 0.149 22.969 1.00 0.00 H new ATOM 0 HB3 LYS A 725 60.378 -0.475 24.278 1.00 0.00 H new ATOM 0 HG2 LYS A 725 60.668 2.091 24.926 1.00 0.00 H new ATOM 0 HG3 LYS A 725 59.238 2.320 23.939 1.00 0.00 H new ATOM 0 HD2 LYS A 725 58.295 0.251 25.355 1.00 0.00 H new ATOM 0 HD3 LYS A 725 59.534 0.723 26.501 1.00 0.00 H new ATOM 0 HE2 LYS A 725 57.256 2.462 25.436 1.00 0.00 H new ATOM 0 HE3 LYS A 725 57.487 1.922 27.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 58.331 4.072 27.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 59.739 3.141 26.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 59.053 3.924 25.568 1.00 0.00 H new ATOM 673 N LYS A 726 63.851 0.329 23.026 1.00 0.00 N ATOM 674 CA LYS A 726 65.118 0.035 23.696 1.00 0.00 C ATOM 675 C LYS A 726 65.123 -1.388 24.250 1.00 0.00 C ATOM 676 O LYS A 726 64.071 -2.013 24.399 1.00 0.00 O ATOM 677 CB LYS A 726 65.360 1.029 24.838 1.00 0.00 C ATOM 678 CG LYS A 726 66.852 1.368 24.918 1.00 0.00 C ATOM 679 CD LYS A 726 67.153 2.034 26.264 1.00 0.00 C ATOM 680 CE LYS A 726 68.441 2.854 26.154 1.00 0.00 C ATOM 681 NZ LYS A 726 68.210 4.025 25.263 1.00 0.00 N1+ ATOM 0 H LYS A 726 63.928 0.458 22.017 1.00 0.00 H new ATOM 0 HA LYS A 726 65.917 0.129 22.960 1.00 0.00 H new ATOM 0 HB2 LYS A 726 64.779 1.936 24.673 1.00 0.00 H new ATOM 0 HB3 LYS A 726 65.023 0.602 25.783 1.00 0.00 H new ATOM 0 HG2 LYS A 726 67.448 0.462 24.807 1.00 0.00 H new ATOM 0 HG3 LYS A 726 67.129 2.034 24.101 1.00 0.00 H new ATOM 0 HD2 LYS A 726 66.324 2.678 26.556 1.00 0.00 H new ATOM 0 HD3 LYS A 726 67.257 1.277 27.041 1.00 0.00 H new ATOM 0 HE2 LYS A 726 68.755 3.191 27.142 1.00 0.00 H new ATOM 0 HE3 LYS A 726 69.246 2.235 25.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 68.847 4.800 25.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 68.398 3.753 24.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 67.223 4.340 25.353 1.00 0.00 H new ATOM 695 N GLN A 727 66.321 -1.898 24.532 1.00 0.00 N ATOM 696 CA GLN A 727 66.471 -3.236 25.100 1.00 0.00 C ATOM 697 C GLN A 727 65.766 -4.274 24.225 1.00 0.00 C ATOM 698 O GLN A 727 65.846 -4.210 22.997 1.00 0.00 O ATOM 699 CB GLN A 727 65.896 -3.275 26.523 1.00 0.00 C ATOM 700 CG GLN A 727 66.521 -2.157 27.365 1.00 0.00 C ATOM 701 CD GLN A 727 66.648 -2.604 28.819 1.00 0.00 C ATOM 702 OE1 GLN A 727 65.646 -2.719 29.525 1.00 0.00 O ATOM 703 NE2 GLN A 727 67.827 -2.885 29.306 1.00 0.00 N ATOM 0 H GLN A 727 67.200 -1.405 24.377 1.00 0.00 H new ATOM 0 HA GLN A 727 67.534 -3.476 25.138 1.00 0.00 H new ATOM 0 HB2 GLN A 727 64.813 -3.157 26.491 1.00 0.00 H new ATOM 0 HB3 GLN A 727 66.098 -4.244 26.980 1.00 0.00 H new ATOM 0 HG2 GLN A 727 67.503 -1.898 26.969 1.00 0.00 H new ATOM 0 HG3 GLN A 727 65.906 -1.259 27.305 1.00 0.00 H new ATOM 0 HE21 GLN A 727 68.657 -2.789 28.720 1.00 0.00 H new ATOM 0 HE22 GLN A 727 67.918 -3.200 30.272 1.00 0.00 H new ATOM 712 N TYR A 728 65.260 -5.328 24.862 1.00 0.00 N ATOM 713 CA TYR A 728 64.535 -6.376 24.145 1.00 0.00 C ATOM 714 C TYR A 728 63.330 -6.839 24.961 1.00 0.00 C ATOM 715 O TYR A 728 63.425 -7.021 26.174 1.00 0.00 O ATOM 716 CB TYR A 728 65.455 -7.575 23.866 1.00 0.00 C ATOM 717 CG TYR A 728 66.791 -7.381 24.550 1.00 0.00 C ATOM 718 CD1 TYR A 728 66.901 -7.557 25.935 1.00 0.00 C ATOM 719 CD2 TYR A 728 67.895 -6.932 23.813 1.00 0.00 C ATOM 720 CE1 TYR A 728 68.088 -7.206 26.591 1.00 0.00 C ATOM 721 CE2 TYR A 728 69.112 -6.684 24.457 1.00 0.00 C ATOM 722 CZ TYR A 728 69.207 -6.811 25.848 1.00 0.00 C ATOM 723 OH TYR A 728 70.431 -6.667 26.470 1.00 0.00 O ATOM 0 H TYR A 728 65.338 -5.479 25.868 1.00 0.00 H new ATOM 0 HA TYR A 728 64.191 -5.964 23.196 1.00 0.00 H new ATOM 0 HB2 TYR A 728 64.986 -8.492 24.222 1.00 0.00 H new ATOM 0 HB3 TYR A 728 65.601 -7.688 22.792 1.00 0.00 H new ATOM 0 HD1 TYR A 728 66.072 -7.963 26.496 1.00 0.00 H new ATOM 0 HD2 TYR A 728 67.806 -6.777 22.748 1.00 0.00 H new ATOM 0 HE1 TYR A 728 68.140 -7.240 27.669 1.00 0.00 H new ATOM 0 HE2 TYR A 728 69.978 -6.394 23.881 1.00 0.00 H new ATOM 0 HH TYR A 728 71.102 -6.389 25.812 1.00 0.00 H new TER 733 TYR A 728