USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 550 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 12 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 46 GLN : amide:sc= -0.203 K(o=-0.2,f=-0.84) USER MOD Single : A 50 GLN : amide:sc= -0.488 K(o=-0.49,f=-1.1) USER MOD Single : A 51 SER OG : rot -87:sc= 1.31 USER MOD Single : A 57 SER OG : rot 66:sc= 1.24 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -156:sc= 1.53 (180deg=0.74) USER MOD Single : A 67 THR OG1 : rot -96:sc= -1.62 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.688 K(o=-0.69,f=-4.9!) USER MOD Single : A 77 MET CE :methyl -158:sc= -0.103 (180deg=-0.58) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 166:sc= 1.32 (180deg=1.08) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 64:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 21 N ALA A 2 0.904 23.442 30.218 1.00 0.00 N ATOM 22 CA ALA A 2 1.333 22.587 29.088 1.00 0.00 C ATOM 23 C ALA A 2 1.850 23.393 27.921 1.00 0.00 C ATOM 24 O ALA A 2 2.853 23.037 27.297 1.00 0.00 O ATOM 25 CB ALA A 2 0.187 21.709 28.623 1.00 0.00 C ATOM 0 HA ALA A 2 2.151 21.967 29.456 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.519 21.087 27.792 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.140 21.072 29.445 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.643 22.336 28.298 1.00 0.00 H new ATOM 31 N ASP A 3 1.182 24.486 27.659 1.00 0.00 N ATOM 32 CA ASP A 3 1.513 25.374 26.571 1.00 0.00 C ATOM 33 C ASP A 3 2.898 25.968 26.756 1.00 0.00 C ATOM 34 O ASP A 3 3.715 26.001 25.827 1.00 0.00 O ATOM 35 CB ASP A 3 0.474 26.480 26.481 1.00 0.00 C ATOM 36 CG ASP A 3 -0.915 25.975 26.189 1.00 0.00 C ATOM 37 OD1 ASP A 3 -1.232 25.709 25.008 1.00 0.00 O ATOM 38 OD2 ASP A 3 -1.725 25.823 27.135 1.00 0.00 O ATOM 0 H ASP A 3 0.377 24.791 28.206 1.00 0.00 H new ATOM 0 HA ASP A 3 1.514 24.802 25.643 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.461 27.033 27.420 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.769 27.182 25.701 1.00 0.00 H new ATOM 43 N GLU A 4 3.175 26.394 27.964 1.00 0.00 N ATOM 44 CA GLU A 4 4.459 26.974 28.303 1.00 0.00 C ATOM 45 C GLU A 4 5.542 25.894 28.350 1.00 0.00 C ATOM 46 O GLU A 4 6.669 26.124 27.932 1.00 0.00 O ATOM 47 CB GLU A 4 4.390 27.758 29.629 1.00 0.00 C ATOM 48 CG GLU A 4 3.686 29.133 29.562 1.00 0.00 C ATOM 49 CD GLU A 4 2.258 29.108 29.037 1.00 0.00 C ATOM 50 OE1 GLU A 4 1.332 28.844 29.817 1.00 0.00 O ATOM 51 OE2 GLU A 4 2.041 29.397 27.833 1.00 0.00 O ATOM 0 H GLU A 4 2.518 26.350 28.743 1.00 0.00 H new ATOM 0 HA GLU A 4 4.725 27.685 27.521 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.875 27.143 30.367 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.406 27.909 29.993 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.681 29.569 30.561 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.277 29.795 28.929 1.00 0.00 H new ATOM 58 N GLU A 5 5.181 24.704 28.840 1.00 0.00 N ATOM 59 CA GLU A 5 6.101 23.562 28.882 1.00 0.00 C ATOM 60 C GLU A 5 6.534 23.156 27.473 1.00 0.00 C ATOM 61 O GLU A 5 7.683 22.777 27.250 1.00 0.00 O ATOM 62 CB GLU A 5 5.469 22.362 29.601 1.00 0.00 C ATOM 63 CG GLU A 5 5.185 22.590 31.076 1.00 0.00 C ATOM 64 CD GLU A 5 4.573 21.380 31.744 1.00 0.00 C ATOM 65 OE1 GLU A 5 5.282 20.372 31.939 1.00 0.00 O ATOM 66 OE2 GLU A 5 3.376 21.407 32.085 1.00 0.00 O ATOM 0 H GLU A 5 4.253 24.506 29.215 1.00 0.00 H new ATOM 0 HA GLU A 5 6.981 23.875 29.443 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.536 22.104 29.100 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.133 21.503 29.500 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.113 22.851 31.585 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.512 23.440 31.185 1.00 0.00 H new ATOM 73 N LEU A 6 5.604 23.245 26.533 1.00 0.00 N ATOM 74 CA LEU A 6 5.865 22.938 25.137 1.00 0.00 C ATOM 75 C LEU A 6 6.913 23.904 24.584 1.00 0.00 C ATOM 76 O LEU A 6 7.917 23.481 23.988 1.00 0.00 O ATOM 77 CB LEU A 6 4.557 23.025 24.330 1.00 0.00 C ATOM 78 CG LEU A 6 4.635 22.684 22.837 1.00 0.00 C ATOM 79 CD1 LEU A 6 5.096 21.248 22.626 1.00 0.00 C ATOM 80 CD2 LEU A 6 3.286 22.912 22.175 1.00 0.00 C ATOM 0 H LEU A 6 4.644 23.534 26.720 1.00 0.00 H new ATOM 0 HA LEU A 6 6.253 21.923 25.053 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.829 22.358 24.792 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.167 24.038 24.426 1.00 0.00 H new ATOM 0 HG LEU A 6 5.370 23.343 22.375 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.142 21.034 21.558 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.084 21.115 23.066 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.392 20.566 23.103 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.355 22.666 21.115 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.537 22.276 22.647 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.998 23.957 22.287 1.00 0.00 H new ATOM 92 N GLU A 7 6.685 25.190 24.821 1.00 0.00 N ATOM 93 CA GLU A 7 7.608 26.237 24.425 1.00 0.00 C ATOM 94 C GLU A 7 8.972 26.037 25.069 1.00 0.00 C ATOM 95 O GLU A 7 9.977 25.970 24.370 1.00 0.00 O ATOM 96 CB GLU A 7 7.045 27.612 24.780 1.00 0.00 C ATOM 97 CG GLU A 7 5.940 28.099 23.859 1.00 0.00 C ATOM 98 CD GLU A 7 6.463 28.480 22.488 1.00 0.00 C ATOM 99 OE1 GLU A 7 6.969 29.613 22.332 1.00 0.00 O ATOM 100 OE2 GLU A 7 6.368 27.674 21.545 1.00 0.00 O ATOM 0 H GLU A 7 5.850 25.534 25.296 1.00 0.00 H new ATOM 0 HA GLU A 7 7.734 26.182 23.344 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.663 27.581 25.800 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.858 28.338 24.766 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.186 27.319 23.754 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.447 28.960 24.310 1.00 0.00 H new ATOM 107 N ALA A 8 8.983 25.893 26.387 1.00 0.00 N ATOM 108 CA ALA A 8 10.212 25.714 27.179 1.00 0.00 C ATOM 109 C ALA A 8 11.076 24.574 26.650 1.00 0.00 C ATOM 110 O ALA A 8 12.275 24.749 26.430 1.00 0.00 O ATOM 111 CB ALA A 8 9.872 25.461 28.642 1.00 0.00 C ATOM 0 H ALA A 8 8.133 25.896 26.952 1.00 0.00 H new ATOM 0 HA ALA A 8 10.784 26.637 27.090 1.00 0.00 H new ATOM 0 HB1 ALA A 8 10.792 25.331 29.212 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.316 26.311 29.039 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.264 24.560 28.724 1.00 0.00 H new ATOM 117 N LEU A 9 10.446 23.429 26.413 1.00 0.00 N ATOM 118 CA LEU A 9 11.127 22.231 25.925 1.00 0.00 C ATOM 119 C LEU A 9 11.802 22.520 24.581 1.00 0.00 C ATOM 120 O LEU A 9 12.966 22.154 24.355 1.00 0.00 O ATOM 121 CB LEU A 9 10.090 21.066 25.824 1.00 0.00 C ATOM 122 CG LEU A 9 10.579 19.656 25.398 1.00 0.00 C ATOM 123 CD1 LEU A 9 9.535 18.622 25.775 1.00 0.00 C ATOM 124 CD2 LEU A 9 10.815 19.566 23.892 1.00 0.00 C ATOM 0 H LEU A 9 9.444 23.303 26.554 1.00 0.00 H new ATOM 0 HA LEU A 9 11.912 21.931 26.619 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.611 20.967 26.798 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.318 21.373 25.118 1.00 0.00 H new ATOM 0 HG LEU A 9 11.522 19.469 25.912 1.00 0.00 H new ATOM 0 HD11 LEU A 9 9.879 17.632 25.476 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.377 18.641 26.853 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.598 18.849 25.267 1.00 0.00 H new ATOM 0 HD21 LEU A 9 11.156 18.563 23.637 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.885 19.778 23.365 1.00 0.00 H new ATOM 0 HD23 LEU A 9 11.572 20.293 23.598 1.00 0.00 H new ATOM 136 N ARG A 10 11.091 23.201 23.713 1.00 0.00 N ATOM 137 CA ARG A 10 11.601 23.496 22.405 1.00 0.00 C ATOM 138 C ARG A 10 12.680 24.570 22.438 1.00 0.00 C ATOM 139 O ARG A 10 13.718 24.421 21.805 1.00 0.00 O ATOM 140 CB ARG A 10 10.486 23.842 21.456 1.00 0.00 C ATOM 141 CG ARG A 10 9.519 22.691 21.227 1.00 0.00 C ATOM 142 CD ARG A 10 8.503 23.024 20.162 1.00 0.00 C ATOM 143 NE ARG A 10 9.158 23.362 18.899 1.00 0.00 N ATOM 144 CZ ARG A 10 9.186 22.593 17.796 1.00 0.00 C ATOM 145 NH1 ARG A 10 8.537 21.420 17.753 1.00 0.00 N ATOM 146 NH2 ARG A 10 9.856 23.015 16.732 1.00 0.00 N ATOM 0 H ARG A 10 10.154 23.560 23.895 1.00 0.00 H new ATOM 0 HA ARG A 10 12.082 22.592 22.030 1.00 0.00 H new ATOM 0 HB2 ARG A 10 9.936 24.698 21.847 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.912 24.147 20.500 1.00 0.00 H new ATOM 0 HG2 ARG A 10 10.075 21.800 20.935 1.00 0.00 H new ATOM 0 HG3 ARG A 10 9.006 22.455 22.159 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.835 22.175 20.014 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.887 23.861 20.491 1.00 0.00 H new ATOM 0 HE ARG A 10 9.636 24.261 18.850 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.011 21.098 18.565 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.569 20.850 16.908 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.341 23.912 16.757 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.886 22.443 15.888 1.00 0.00 H new ATOM 160 N ARG A 11 12.454 25.612 23.223 1.00 0.00 N ATOM 161 CA ARG A 11 13.412 26.718 23.360 1.00 0.00 C ATOM 162 C ARG A 11 14.729 26.216 23.924 1.00 0.00 C ATOM 163 O ARG A 11 15.809 26.649 23.499 1.00 0.00 O ATOM 164 CB ARG A 11 12.845 27.822 24.250 1.00 0.00 C ATOM 165 CG ARG A 11 11.602 28.480 23.688 1.00 0.00 C ATOM 166 CD ARG A 11 11.048 29.523 24.633 1.00 0.00 C ATOM 167 NE ARG A 11 9.764 30.044 24.157 1.00 0.00 N ATOM 168 CZ ARG A 11 9.003 30.928 24.803 1.00 0.00 C ATOM 169 NH1 ARG A 11 9.428 31.488 25.930 1.00 0.00 N ATOM 170 NH2 ARG A 11 7.812 31.244 24.321 1.00 0.00 N ATOM 0 H ARG A 11 11.609 25.723 23.783 1.00 0.00 H new ATOM 0 HA ARG A 11 13.591 27.133 22.368 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.612 27.403 25.229 1.00 0.00 H new ATOM 0 HB3 ARG A 11 13.611 28.583 24.402 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.837 28.944 22.730 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.843 27.721 23.497 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.921 29.088 25.624 1.00 0.00 H new ATOM 0 HD3 ARG A 11 11.761 30.342 24.733 1.00 0.00 H new ATOM 0 HE ARG A 11 9.424 29.703 23.258 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.343 31.243 26.308 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.839 32.163 26.418 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.480 30.812 23.459 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.226 31.920 24.812 1.00 0.00 H new ATOM 184 N GLN A 12 14.631 25.282 24.861 1.00 0.00 N ATOM 185 CA GLN A 12 15.791 24.649 25.451 1.00 0.00 C ATOM 186 C GLN A 12 16.623 23.964 24.383 1.00 0.00 C ATOM 187 O GLN A 12 17.816 24.226 24.257 1.00 0.00 O ATOM 188 CB GLN A 12 15.369 23.621 26.493 1.00 0.00 C ATOM 189 CG GLN A 12 16.528 22.821 27.063 1.00 0.00 C ATOM 190 CD GLN A 12 16.082 21.752 28.012 1.00 0.00 C ATOM 191 OE1 GLN A 12 14.986 21.215 27.894 1.00 0.00 O ATOM 192 NE2 GLN A 12 16.915 21.414 28.936 1.00 0.00 N ATOM 0 H GLN A 12 13.742 24.945 25.230 1.00 0.00 H new ATOM 0 HA GLN A 12 16.388 25.424 25.932 1.00 0.00 H new ATOM 0 HB2 GLN A 12 14.856 24.132 27.308 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.651 22.935 26.044 1.00 0.00 H new ATOM 0 HG2 GLN A 12 17.086 22.365 26.245 1.00 0.00 H new ATOM 0 HG3 GLN A 12 17.211 23.496 27.578 1.00 0.00 H new ATOM 0 HE21 GLN A 12 17.818 21.882 29.004 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.671 20.678 29.599 1.00 0.00 H new ATOM 201 N ARG A 13 15.980 23.110 23.592 1.00 0.00 N ATOM 202 CA ARG A 13 16.688 22.357 22.573 1.00 0.00 C ATOM 203 C ARG A 13 17.313 23.260 21.549 1.00 0.00 C ATOM 204 O ARG A 13 18.424 23.036 21.152 1.00 0.00 O ATOM 205 CB ARG A 13 15.820 21.309 21.906 1.00 0.00 C ATOM 206 CG ARG A 13 15.313 20.264 22.859 1.00 0.00 C ATOM 207 CD ARG A 13 14.653 19.136 22.122 1.00 0.00 C ATOM 208 NE ARG A 13 14.042 18.158 23.029 1.00 0.00 N ATOM 209 CZ ARG A 13 13.376 17.065 22.631 1.00 0.00 C ATOM 210 NH1 ARG A 13 13.283 16.766 21.328 1.00 0.00 N ATOM 211 NH2 ARG A 13 12.794 16.279 23.533 1.00 0.00 N ATOM 0 H ARG A 13 14.978 22.926 23.639 1.00 0.00 H new ATOM 0 HA ARG A 13 17.486 21.826 23.093 1.00 0.00 H new ATOM 0 HB2 ARG A 13 14.971 21.800 21.430 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.392 20.823 21.115 1.00 0.00 H new ATOM 0 HG2 ARG A 13 16.140 19.879 23.455 1.00 0.00 H new ATOM 0 HG3 ARG A 13 14.603 20.714 23.553 1.00 0.00 H new ATOM 0 HD2 ARG A 13 13.889 19.538 21.457 1.00 0.00 H new ATOM 0 HD3 ARG A 13 15.390 18.635 21.495 1.00 0.00 H new ATOM 0 HE ARG A 13 14.130 18.321 24.032 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.720 17.371 20.633 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.775 15.933 21.031 1.00 0.00 H new ATOM 0 HH21 ARG A 13 12.855 16.509 24.525 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.287 15.447 23.233 1.00 0.00 H new ATOM 225 N LEU A 14 16.612 24.309 21.172 1.00 0.00 N ATOM 226 CA LEU A 14 17.124 25.283 20.233 1.00 0.00 C ATOM 227 C LEU A 14 18.396 25.968 20.767 1.00 0.00 C ATOM 228 O LEU A 14 19.344 26.244 20.013 1.00 0.00 O ATOM 229 CB LEU A 14 16.041 26.290 19.904 1.00 0.00 C ATOM 230 CG LEU A 14 15.136 26.001 18.677 1.00 0.00 C ATOM 231 CD1 LEU A 14 14.512 24.611 18.733 1.00 0.00 C ATOM 232 CD2 LEU A 14 14.039 27.048 18.580 1.00 0.00 C ATOM 0 H LEU A 14 15.670 24.510 21.509 1.00 0.00 H new ATOM 0 HA LEU A 14 17.410 24.769 19.315 1.00 0.00 H new ATOM 0 HB2 LEU A 14 15.398 26.389 20.779 1.00 0.00 H new ATOM 0 HB3 LEU A 14 16.519 27.257 19.748 1.00 0.00 H new ATOM 0 HG LEU A 14 15.771 26.043 17.792 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.888 24.457 17.853 1.00 0.00 H new ATOM 0 HD12 LEU A 14 15.301 23.859 18.755 1.00 0.00 H new ATOM 0 HD13 LEU A 14 13.901 24.522 19.631 1.00 0.00 H new ATOM 0 HD21 LEU A 14 13.409 26.836 17.716 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.432 27.024 19.485 1.00 0.00 H new ATOM 0 HD23 LEU A 14 14.487 28.035 18.469 1.00 0.00 H new ATOM 656 N ILE A 43 2.052 -1.939 -1.102 1.00 0.00 N ATOM 657 CA ILE A 43 1.315 -3.167 -0.961 1.00 0.00 C ATOM 658 C ILE A 43 0.203 -3.266 -2.009 1.00 0.00 C ATOM 659 O ILE A 43 0.143 -4.235 -2.736 1.00 0.00 O ATOM 660 CB ILE A 43 0.781 -3.443 0.480 1.00 0.00 C ATOM 661 CG1 ILE A 43 -0.147 -2.321 0.976 1.00 0.00 C ATOM 662 CG2 ILE A 43 1.947 -3.659 1.442 1.00 0.00 C ATOM 663 CD1 ILE A 43 -0.710 -2.541 2.361 1.00 0.00 C ATOM 0 HA ILE A 43 2.038 -3.962 -1.144 1.00 0.00 H new ATOM 0 HB ILE A 43 0.183 -4.354 0.445 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.404 -1.380 0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.974 -2.214 0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.562 -3.850 2.443 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.538 -4.513 1.111 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.575 -2.768 1.459 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.352 -1.703 2.630 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.292 -3.463 2.375 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.107 -2.617 3.078 1.00 0.00 H new ATOM 675 N LEU A 44 -0.609 -2.214 -2.153 1.00 0.00 N ATOM 676 CA LEU A 44 -1.749 -2.235 -3.081 1.00 0.00 C ATOM 677 C LEU A 44 -1.341 -2.472 -4.530 1.00 0.00 C ATOM 678 O LEU A 44 -2.022 -3.192 -5.250 1.00 0.00 O ATOM 679 CB LEU A 44 -2.605 -0.964 -2.971 1.00 0.00 C ATOM 680 CG LEU A 44 -3.381 -0.772 -1.658 1.00 0.00 C ATOM 681 CD1 LEU A 44 -4.128 0.551 -1.671 1.00 0.00 C ATOM 682 CD2 LEU A 44 -4.354 -1.922 -1.435 1.00 0.00 C ATOM 0 H LEU A 44 -0.500 -1.338 -1.641 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.353 -3.088 -2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.954 -0.101 -3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.320 -0.962 -3.794 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.664 -0.761 -0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.672 0.671 -0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.417 1.369 -1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.832 0.563 -2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.893 -1.767 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.064 -1.963 -2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.802 -2.861 -1.384 1.00 0.00 H new ATOM 694 N ALA A 45 -0.222 -1.909 -4.940 1.00 0.00 N ATOM 695 CA ALA A 45 0.240 -2.056 -6.317 1.00 0.00 C ATOM 696 C ALA A 45 0.824 -3.447 -6.584 1.00 0.00 C ATOM 697 O ALA A 45 0.971 -3.855 -7.738 1.00 0.00 O ATOM 698 CB ALA A 45 1.250 -0.976 -6.659 1.00 0.00 C ATOM 0 H ALA A 45 0.387 -1.346 -4.346 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.630 -1.942 -6.964 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.583 -1.102 -7.689 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.787 0.004 -6.545 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.106 -1.053 -5.989 1.00 0.00 H new ATOM 704 N GLN A 46 1.200 -4.148 -5.532 1.00 0.00 N ATOM 705 CA GLN A 46 1.732 -5.490 -5.683 1.00 0.00 C ATOM 706 C GLN A 46 0.656 -6.541 -5.447 1.00 0.00 C ATOM 707 O GLN A 46 0.743 -7.667 -5.947 1.00 0.00 O ATOM 708 CB GLN A 46 2.944 -5.708 -4.776 1.00 0.00 C ATOM 709 CG GLN A 46 4.074 -4.722 -5.048 1.00 0.00 C ATOM 710 CD GLN A 46 4.547 -4.743 -6.489 1.00 0.00 C ATOM 711 OE1 GLN A 46 4.511 -5.778 -7.161 1.00 0.00 O ATOM 712 NE2 GLN A 46 4.992 -3.618 -6.971 1.00 0.00 N ATOM 0 H GLN A 46 1.148 -3.814 -4.569 1.00 0.00 H new ATOM 0 HA GLN A 46 2.071 -5.601 -6.713 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.633 -5.618 -3.735 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.315 -6.724 -4.912 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.739 -3.716 -4.796 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.914 -4.951 -4.393 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.007 -2.783 -6.386 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.326 -3.572 -7.934 1.00 0.00 H new ATOM 721 N VAL A 47 -0.341 -6.173 -4.667 1.00 0.00 N ATOM 722 CA VAL A 47 -1.464 -7.043 -4.379 1.00 0.00 C ATOM 723 C VAL A 47 -2.433 -7.031 -5.532 1.00 0.00 C ATOM 724 O VAL A 47 -2.905 -8.071 -5.966 1.00 0.00 O ATOM 725 CB VAL A 47 -2.193 -6.619 -3.071 1.00 0.00 C ATOM 726 CG1 VAL A 47 -3.466 -7.414 -2.850 1.00 0.00 C ATOM 727 CG2 VAL A 47 -1.276 -6.780 -1.880 1.00 0.00 C ATOM 0 H VAL A 47 -0.395 -5.261 -4.214 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.078 -8.052 -4.237 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.467 -5.570 -3.179 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.944 -7.087 -1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.146 -7.253 -3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.225 -8.474 -2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.801 -6.479 -0.973 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.971 -7.823 -1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.394 -6.154 -2.013 1.00 0.00 H new ATOM 737 N LEU A 48 -2.717 -5.870 -6.032 1.00 0.00 N ATOM 738 CA LEU A 48 -3.610 -5.758 -7.133 1.00 0.00 C ATOM 739 C LEU A 48 -2.838 -5.812 -8.403 1.00 0.00 C ATOM 740 O LEU A 48 -1.891 -5.049 -8.589 1.00 0.00 O ATOM 741 CB LEU A 48 -4.434 -4.458 -7.068 1.00 0.00 C ATOM 742 CG LEU A 48 -5.389 -4.334 -5.872 1.00 0.00 C ATOM 743 CD1 LEU A 48 -6.071 -2.982 -5.867 1.00 0.00 C ATOM 744 CD2 LEU A 48 -6.430 -5.446 -5.891 1.00 0.00 C ATOM 0 H LEU A 48 -2.340 -4.985 -5.691 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.311 -6.592 -7.090 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.745 -3.614 -7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.017 -4.373 -7.985 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.798 -4.429 -4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.743 -2.917 -5.011 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.319 -2.196 -5.799 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.643 -2.859 -6.787 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.095 -5.337 -5.034 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.011 -5.385 -6.811 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.930 -6.413 -5.841 1.00 0.00 H new ATOM 756 N ASP A 49 -3.201 -6.736 -9.261 1.00 0.00 N ATOM 757 CA ASP A 49 -2.634 -6.782 -10.580 1.00 0.00 C ATOM 758 C ASP A 49 -3.084 -5.529 -11.280 1.00 0.00 C ATOM 759 O ASP A 49 -4.147 -4.987 -10.936 1.00 0.00 O ATOM 760 CB ASP A 49 -3.117 -8.030 -11.355 1.00 0.00 C ATOM 761 CG ASP A 49 -2.592 -8.096 -12.783 1.00 0.00 C ATOM 762 OD1 ASP A 49 -3.234 -7.528 -13.692 1.00 0.00 O ATOM 763 OD2 ASP A 49 -1.530 -8.717 -13.028 1.00 0.00 O ATOM 0 H ASP A 49 -3.887 -7.465 -9.065 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.547 -6.845 -10.528 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.803 -8.926 -10.819 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.207 -8.036 -11.376 1.00 0.00 H new ATOM 768 N GLN A 50 -2.306 -5.074 -12.231 1.00 0.00 N ATOM 769 CA GLN A 50 -2.579 -3.849 -12.980 1.00 0.00 C ATOM 770 C GLN A 50 -4.033 -3.823 -13.476 1.00 0.00 C ATOM 771 O GLN A 50 -4.684 -2.783 -13.416 1.00 0.00 O ATOM 772 CB GLN A 50 -1.562 -3.705 -14.146 1.00 0.00 C ATOM 773 CG GLN A 50 -1.512 -2.325 -14.835 1.00 0.00 C ATOM 774 CD GLN A 50 -2.695 -2.011 -15.739 1.00 0.00 C ATOM 775 OE1 GLN A 50 -3.291 -2.903 -16.363 1.00 0.00 O ATOM 776 NE2 GLN A 50 -3.055 -0.757 -15.806 1.00 0.00 N ATOM 0 H GLN A 50 -1.448 -5.545 -12.519 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.455 -2.991 -12.319 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.567 -3.934 -13.764 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.795 -4.457 -14.900 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.448 -1.555 -14.066 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.598 -2.264 -15.425 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.542 -0.050 -15.279 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.849 -0.485 -16.385 1.00 0.00 H new ATOM 785 N SER A 51 -4.554 -4.985 -13.863 1.00 0.00 N ATOM 786 CA SER A 51 -5.904 -5.093 -14.359 1.00 0.00 C ATOM 787 C SER A 51 -6.920 -4.710 -13.268 1.00 0.00 C ATOM 788 O SER A 51 -7.805 -3.873 -13.491 1.00 0.00 O ATOM 789 CB SER A 51 -6.147 -6.515 -14.882 1.00 0.00 C ATOM 790 OG SER A 51 -5.800 -7.497 -13.904 1.00 0.00 O ATOM 0 H SER A 51 -4.046 -5.869 -13.838 1.00 0.00 H new ATOM 0 HA SER A 51 -6.040 -4.394 -15.184 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.195 -6.629 -15.158 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.560 -6.677 -15.786 1.00 0.00 H new ATOM 0 HG SER A 51 -4.848 -7.714 -13.982 1.00 0.00 H new ATOM 796 N ALA A 52 -6.742 -5.272 -12.081 1.00 0.00 N ATOM 797 CA ALA A 52 -7.623 -5.024 -10.954 1.00 0.00 C ATOM 798 C ALA A 52 -7.403 -3.629 -10.405 1.00 0.00 C ATOM 799 O ALA A 52 -8.346 -2.953 -10.009 1.00 0.00 O ATOM 800 CB ALA A 52 -7.398 -6.057 -9.869 1.00 0.00 C ATOM 0 H ALA A 52 -5.978 -5.915 -11.874 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.654 -5.102 -11.300 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -8.066 -5.857 -9.032 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.602 -7.052 -10.266 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -6.364 -6.007 -9.528 1.00 0.00 H new ATOM 806 N ARG A 53 -6.160 -3.192 -10.419 1.00 0.00 N ATOM 807 CA ARG A 53 -5.786 -1.878 -9.944 1.00 0.00 C ATOM 808 C ARG A 53 -6.475 -0.822 -10.794 1.00 0.00 C ATOM 809 O ARG A 53 -7.081 0.112 -10.265 1.00 0.00 O ATOM 810 CB ARG A 53 -4.270 -1.724 -10.023 1.00 0.00 C ATOM 811 CG ARG A 53 -3.666 -0.512 -9.301 1.00 0.00 C ATOM 812 CD ARG A 53 -4.026 -0.473 -7.805 1.00 0.00 C ATOM 813 NE ARG A 53 -5.321 0.217 -7.534 1.00 0.00 N ATOM 814 CZ ARG A 53 -5.655 0.832 -6.362 1.00 0.00 C ATOM 815 NH1 ARG A 53 -4.760 0.987 -5.392 1.00 0.00 N ATOM 816 NH2 ARG A 53 -6.865 1.353 -6.205 1.00 0.00 N ATOM 0 H ARG A 53 -5.375 -3.745 -10.764 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.097 -1.753 -8.907 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.814 -2.626 -9.615 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.987 -1.671 -11.074 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.582 -0.533 -9.409 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.017 0.403 -9.779 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.077 -1.492 -7.423 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.230 0.033 -7.259 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.012 0.230 -8.284 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.808 0.644 -5.517 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.025 1.449 -4.522 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.547 1.294 -6.961 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.113 1.812 -5.329 1.00 0.00 H new ATOM 830 N ALA A 54 -6.409 -1.007 -12.099 1.00 0.00 N ATOM 831 CA ALA A 54 -7.053 -0.117 -13.067 1.00 0.00 C ATOM 832 C ALA A 54 -8.575 -0.207 -12.962 1.00 0.00 C ATOM 833 O ALA A 54 -9.279 0.807 -13.060 1.00 0.00 O ATOM 834 CB ALA A 54 -6.605 -0.457 -14.474 1.00 0.00 C ATOM 0 H ALA A 54 -5.905 -1.783 -12.528 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.754 0.906 -12.839 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.092 0.213 -15.183 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.524 -0.341 -14.550 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.877 -1.487 -14.703 1.00 0.00 H new ATOM 840 N ARG A 55 -9.068 -1.415 -12.737 1.00 0.00 N ATOM 841 CA ARG A 55 -10.497 -1.679 -12.572 1.00 0.00 C ATOM 842 C ARG A 55 -11.001 -0.865 -11.382 1.00 0.00 C ATOM 843 O ARG A 55 -11.998 -0.146 -11.462 1.00 0.00 O ATOM 844 CB ARG A 55 -10.692 -3.174 -12.276 1.00 0.00 C ATOM 845 CG ARG A 55 -12.095 -3.701 -12.477 1.00 0.00 C ATOM 846 CD ARG A 55 -12.427 -3.761 -13.955 1.00 0.00 C ATOM 847 NE ARG A 55 -13.755 -4.316 -14.219 1.00 0.00 N ATOM 848 CZ ARG A 55 -14.057 -5.127 -15.244 1.00 0.00 C ATOM 849 NH1 ARG A 55 -13.100 -5.661 -15.996 1.00 0.00 N ATOM 850 NH2 ARG A 55 -15.319 -5.456 -15.470 1.00 0.00 N ATOM 0 H ARG A 55 -8.486 -2.250 -12.662 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.044 -1.406 -13.475 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.014 -3.744 -12.912 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.396 -3.364 -11.244 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.185 -4.694 -12.036 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.809 -3.058 -11.962 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.368 -2.757 -14.376 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.678 -4.366 -14.466 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.507 -4.068 -13.576 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.121 -5.456 -15.797 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.345 -6.276 -16.772 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.057 -5.093 -14.866 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.554 -6.072 -16.248 1.00 0.00 H new ATOM 864 N LEU A 56 -10.246 -0.943 -10.306 1.00 0.00 N ATOM 865 CA LEU A 56 -10.555 -0.268 -9.074 1.00 0.00 C ATOM 866 C LEU A 56 -10.407 1.250 -9.216 1.00 0.00 C ATOM 867 O LEU A 56 -11.074 2.004 -8.532 1.00 0.00 O ATOM 868 CB LEU A 56 -9.684 -0.809 -7.938 1.00 0.00 C ATOM 869 CG LEU A 56 -10.088 -0.396 -6.527 1.00 0.00 C ATOM 870 CD1 LEU A 56 -11.526 -0.791 -6.256 1.00 0.00 C ATOM 871 CD2 LEU A 56 -9.177 -1.054 -5.515 1.00 0.00 C ATOM 0 H LEU A 56 -9.385 -1.489 -10.268 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.598 -0.467 -8.829 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.688 -1.898 -7.991 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.657 -0.486 -8.109 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.997 0.687 -6.440 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.802 -0.490 -5.245 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -12.181 -0.296 -6.973 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.631 -1.871 -6.355 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.473 -0.754 -4.510 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.253 -2.137 -5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.148 -0.746 -5.698 1.00 0.00 H new ATOM 883 N SER A 57 -9.535 1.678 -10.106 1.00 0.00 N ATOM 884 CA SER A 57 -9.329 3.091 -10.368 1.00 0.00 C ATOM 885 C SER A 57 -10.598 3.723 -10.945 1.00 0.00 C ATOM 886 O SER A 57 -10.995 4.819 -10.554 1.00 0.00 O ATOM 887 CB SER A 57 -8.164 3.272 -11.326 1.00 0.00 C ATOM 888 OG SER A 57 -6.956 2.743 -10.780 1.00 0.00 O ATOM 0 H SER A 57 -8.950 1.059 -10.668 1.00 0.00 H new ATOM 0 HA SER A 57 -9.097 3.592 -9.428 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.387 2.775 -12.270 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.033 4.331 -11.546 1.00 0.00 H new ATOM 0 HG SER A 57 -7.037 1.771 -10.688 1.00 0.00 H new ATOM 894 N ASN A 58 -11.226 3.022 -11.862 1.00 0.00 N ATOM 895 CA ASN A 58 -12.490 3.475 -12.438 1.00 0.00 C ATOM 896 C ASN A 58 -13.600 3.324 -11.402 1.00 0.00 C ATOM 897 O ASN A 58 -14.460 4.200 -11.248 1.00 0.00 O ATOM 898 CB ASN A 58 -12.828 2.669 -13.697 1.00 0.00 C ATOM 899 CG ASN A 58 -14.141 3.095 -14.338 1.00 0.00 C ATOM 900 OD1 ASN A 58 -15.203 2.587 -13.998 1.00 0.00 O ATOM 901 ND2 ASN A 58 -14.072 3.992 -15.283 1.00 0.00 N ATOM 0 H ASN A 58 -10.888 2.133 -12.231 1.00 0.00 H new ATOM 0 HA ASN A 58 -12.397 4.524 -12.720 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.022 2.782 -14.422 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.881 1.611 -13.442 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -14.920 4.292 -15.765 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -13.170 4.394 -15.540 1.00 0.00 H new ATOM 908 N LEU A 59 -13.528 2.224 -10.655 1.00 0.00 N ATOM 909 CA LEU A 59 -14.484 1.890 -9.596 1.00 0.00 C ATOM 910 C LEU A 59 -14.532 3.032 -8.573 1.00 0.00 C ATOM 911 O LEU A 59 -15.603 3.419 -8.104 1.00 0.00 O ATOM 912 CB LEU A 59 -14.032 0.572 -8.922 1.00 0.00 C ATOM 913 CG LEU A 59 -15.083 -0.292 -8.178 1.00 0.00 C ATOM 914 CD1 LEU A 59 -15.603 0.375 -6.917 1.00 0.00 C ATOM 915 CD2 LEU A 59 -16.229 -0.663 -9.112 1.00 0.00 C ATOM 0 H LEU A 59 -12.792 1.527 -10.769 1.00 0.00 H new ATOM 0 HA LEU A 59 -15.483 1.758 -10.011 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.579 -0.052 -9.692 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.246 0.820 -8.209 1.00 0.00 H new ATOM 0 HG LEU A 59 -14.578 -1.204 -7.860 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -16.335 -0.274 -6.437 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -14.774 0.555 -6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -16.073 1.324 -7.175 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -16.957 -1.269 -8.572 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -16.711 0.245 -9.475 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.840 -1.230 -9.958 1.00 0.00 H new ATOM 927 N ALA A 60 -13.360 3.589 -8.283 1.00 0.00 N ATOM 928 CA ALA A 60 -13.193 4.701 -7.341 1.00 0.00 C ATOM 929 C ALA A 60 -13.965 5.942 -7.767 1.00 0.00 C ATOM 930 O ALA A 60 -14.271 6.811 -6.946 1.00 0.00 O ATOM 931 CB ALA A 60 -11.719 5.049 -7.209 1.00 0.00 C ATOM 0 H ALA A 60 -12.483 3.278 -8.701 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.593 4.373 -6.382 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.602 5.875 -6.508 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.172 4.181 -6.841 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -11.325 5.340 -8.183 1.00 0.00 H new ATOM 937 N LEU A 61 -14.264 6.033 -9.030 1.00 0.00 N ATOM 938 CA LEU A 61 -14.953 7.172 -9.556 1.00 0.00 C ATOM 939 C LEU A 61 -16.449 6.912 -9.618 1.00 0.00 C ATOM 940 O LEU A 61 -17.248 7.766 -9.227 1.00 0.00 O ATOM 941 CB LEU A 61 -14.395 7.524 -10.936 1.00 0.00 C ATOM 942 CG LEU A 61 -12.897 7.856 -10.978 1.00 0.00 C ATOM 943 CD1 LEU A 61 -12.451 8.141 -12.396 1.00 0.00 C ATOM 944 CD2 LEU A 61 -12.570 9.033 -10.069 1.00 0.00 C ATOM 0 H LEU A 61 -14.037 5.320 -9.723 1.00 0.00 H new ATOM 0 HA LEU A 61 -14.794 8.022 -8.892 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -14.583 6.687 -11.609 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -14.950 8.377 -11.326 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.352 6.986 -10.613 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -11.386 8.374 -12.403 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -12.635 7.265 -13.018 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -13.010 8.990 -12.790 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -11.502 9.246 -10.119 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.130 9.910 -10.394 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -12.843 8.787 -9.043 1.00 0.00 H new ATOM 956 N VAL A 62 -16.824 5.732 -10.082 1.00 0.00 N ATOM 957 CA VAL A 62 -18.239 5.380 -10.222 1.00 0.00 C ATOM 958 C VAL A 62 -18.932 5.085 -8.873 1.00 0.00 C ATOM 959 O VAL A 62 -20.058 5.540 -8.630 1.00 0.00 O ATOM 960 CB VAL A 62 -18.480 4.231 -11.251 1.00 0.00 C ATOM 961 CG1 VAL A 62 -18.102 4.691 -12.653 1.00 0.00 C ATOM 962 CG2 VAL A 62 -17.687 2.982 -10.892 1.00 0.00 C ATOM 0 H VAL A 62 -16.175 4.999 -10.369 1.00 0.00 H new ATOM 0 HA VAL A 62 -18.712 6.275 -10.626 1.00 0.00 H new ATOM 0 HB VAL A 62 -19.541 3.981 -11.222 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -18.275 3.880 -13.361 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -18.711 5.551 -12.930 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -17.049 4.971 -12.672 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -17.880 2.204 -11.630 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -16.623 3.217 -10.882 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -17.990 2.630 -9.906 1.00 0.00 H new ATOM 972 N LYS A 63 -18.270 4.360 -7.998 1.00 0.00 N ATOM 973 CA LYS A 63 -18.817 4.060 -6.683 1.00 0.00 C ATOM 974 C LYS A 63 -17.736 4.037 -5.616 1.00 0.00 C ATOM 975 O LYS A 63 -17.241 2.977 -5.225 1.00 0.00 O ATOM 976 CB LYS A 63 -19.699 2.795 -6.652 1.00 0.00 C ATOM 977 CG LYS A 63 -19.110 1.559 -7.331 1.00 0.00 C ATOM 978 CD LYS A 63 -19.961 0.319 -7.077 1.00 0.00 C ATOM 979 CE LYS A 63 -21.420 0.560 -7.411 1.00 0.00 C ATOM 980 NZ LYS A 63 -22.248 -0.649 -7.225 1.00 0.00 N ATOM 0 H LYS A 63 -17.346 3.963 -8.170 1.00 0.00 H new ATOM 0 HA LYS A 63 -19.491 4.883 -6.446 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -19.912 2.549 -5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -20.652 3.028 -7.126 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -19.033 1.735 -8.404 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -18.098 1.388 -6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -19.583 -0.510 -7.675 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -19.871 0.024 -6.031 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -21.806 1.362 -6.782 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -21.502 0.898 -8.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -23.236 -0.433 -7.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -21.898 -1.408 -7.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -22.193 -0.958 -6.234 1.00 0.00 H new ATOM 994 N PRO A 64 -17.376 5.230 -5.113 1.00 0.00 N ATOM 995 CA PRO A 64 -16.269 5.417 -4.156 1.00 0.00 C ATOM 996 C PRO A 64 -16.499 4.734 -2.808 1.00 0.00 C ATOM 997 O PRO A 64 -15.543 4.445 -2.071 1.00 0.00 O ATOM 998 CB PRO A 64 -16.231 6.941 -3.952 1.00 0.00 C ATOM 999 CG PRO A 64 -16.974 7.510 -5.103 1.00 0.00 C ATOM 1000 CD PRO A 64 -18.026 6.516 -5.438 1.00 0.00 C ATOM 0 HA PRO A 64 -15.348 4.978 -4.540 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.695 7.223 -3.007 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -15.205 7.309 -3.926 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -17.414 8.474 -4.846 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.311 7.678 -5.952 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -18.931 6.672 -4.851 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -18.314 6.570 -6.488 1.00 0.00 H new ATOM 1008 N GLU A 65 -17.753 4.441 -2.514 1.00 0.00 N ATOM 1009 CA GLU A 65 -18.141 3.889 -1.239 1.00 0.00 C ATOM 1010 C GLU A 65 -17.609 2.470 -1.146 1.00 0.00 C ATOM 1011 O GLU A 65 -17.072 2.061 -0.132 1.00 0.00 O ATOM 1012 CB GLU A 65 -19.684 3.955 -1.122 1.00 0.00 C ATOM 1013 CG GLU A 65 -20.301 3.707 0.269 1.00 0.00 C ATOM 1014 CD GLU A 65 -20.267 2.269 0.744 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -21.093 1.458 0.277 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -19.437 1.929 1.596 1.00 0.00 O ATOM 0 H GLU A 65 -18.530 4.582 -3.159 1.00 0.00 H new ATOM 0 HA GLU A 65 -17.722 4.456 -0.408 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -20.006 4.939 -1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -20.106 3.225 -1.813 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -19.776 4.326 0.997 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -21.338 4.043 0.254 1.00 0.00 H new ATOM 1023 N LYS A 66 -17.682 1.753 -2.234 1.00 0.00 N ATOM 1024 CA LYS A 66 -17.242 0.388 -2.219 1.00 0.00 C ATOM 1025 C LYS A 66 -15.712 0.329 -2.308 1.00 0.00 C ATOM 1026 O LYS A 66 -15.079 -0.585 -1.767 1.00 0.00 O ATOM 1027 CB LYS A 66 -17.894 -0.439 -3.340 1.00 0.00 C ATOM 1028 CG LYS A 66 -19.408 -0.203 -3.570 1.00 0.00 C ATOM 1029 CD LYS A 66 -20.252 -0.169 -2.290 1.00 0.00 C ATOM 1030 CE LYS A 66 -20.174 -1.433 -1.461 1.00 0.00 C ATOM 1031 NZ LYS A 66 -20.953 -1.294 -0.205 1.00 0.00 N ATOM 0 H LYS A 66 -18.037 2.087 -3.130 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.558 -0.057 -1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.369 -0.228 -4.272 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.741 -1.496 -3.120 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -19.539 0.740 -4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -19.790 -0.990 -4.220 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.930 0.674 -1.678 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -21.293 0.012 -2.559 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.555 -2.275 -2.038 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -19.133 -1.654 -1.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.582 -1.953 0.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.871 -0.319 0.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -21.953 -1.512 -0.391 1.00 0.00 H new ATOM 1045 N THR A 67 -15.130 1.329 -2.975 1.00 0.00 N ATOM 1046 CA THR A 67 -13.695 1.419 -3.177 1.00 0.00 C ATOM 1047 C THR A 67 -12.951 1.504 -1.841 1.00 0.00 C ATOM 1048 O THR A 67 -11.976 0.781 -1.618 1.00 0.00 O ATOM 1049 CB THR A 67 -13.356 2.675 -3.968 1.00 0.00 C ATOM 1050 OG1 THR A 67 -14.360 2.880 -4.962 1.00 0.00 O ATOM 1051 CG2 THR A 67 -12.008 2.520 -4.655 1.00 0.00 C ATOM 0 H THR A 67 -15.652 2.101 -3.390 1.00 0.00 H new ATOM 0 HA THR A 67 -13.388 0.522 -3.716 1.00 0.00 H new ATOM 0 HB THR A 67 -13.313 3.525 -3.286 1.00 0.00 H new ATOM 0 HG1 THR A 67 -14.058 2.503 -5.815 1.00 0.00 H new ATOM 0 HG21 THR A 67 -11.779 3.426 -5.217 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.235 2.353 -3.905 1.00 0.00 H new ATOM 0 HG23 THR A 67 -12.042 1.670 -5.336 1.00 0.00 H new ATOM 1059 N LYS A 68 -13.436 2.372 -0.947 1.00 0.00 N ATOM 1060 CA LYS A 68 -12.781 2.595 0.340 1.00 0.00 C ATOM 1061 C LYS A 68 -12.712 1.292 1.140 1.00 0.00 C ATOM 1062 O LYS A 68 -11.704 1.004 1.801 1.00 0.00 O ATOM 1063 CB LYS A 68 -13.497 3.700 1.154 1.00 0.00 C ATOM 1064 CG LYS A 68 -14.921 3.356 1.561 1.00 0.00 C ATOM 1065 CD LYS A 68 -15.566 4.445 2.382 1.00 0.00 C ATOM 1066 CE LYS A 68 -16.936 4.011 2.874 1.00 0.00 C ATOM 1067 NZ LYS A 68 -17.571 5.030 3.738 1.00 0.00 N ATOM 0 H LYS A 68 -14.278 2.929 -1.093 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.765 2.936 0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.915 3.908 2.052 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.512 4.617 0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.518 3.178 0.667 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.918 2.428 2.133 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.930 4.690 3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.660 5.351 1.783 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -17.580 3.811 2.018 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -16.842 3.077 3.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.503 4.689 4.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.971 5.203 4.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.686 5.915 3.204 1.00 0.00 H new ATOM 1081 N ALA A 69 -13.772 0.503 1.035 1.00 0.00 N ATOM 1082 CA ALA A 69 -13.862 -0.753 1.734 1.00 0.00 C ATOM 1083 C ALA A 69 -12.898 -1.781 1.155 1.00 0.00 C ATOM 1084 O ALA A 69 -12.133 -2.414 1.900 1.00 0.00 O ATOM 1085 CB ALA A 69 -15.288 -1.274 1.721 1.00 0.00 C ATOM 0 H ALA A 69 -14.587 0.722 0.462 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.573 -0.580 2.771 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -15.333 -2.224 2.254 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -15.943 -0.552 2.208 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.612 -1.421 0.691 1.00 0.00 H new ATOM 1091 N VAL A 70 -12.906 -1.942 -0.169 1.00 0.00 N ATOM 1092 CA VAL A 70 -12.035 -2.928 -0.796 1.00 0.00 C ATOM 1093 C VAL A 70 -10.556 -2.582 -0.640 1.00 0.00 C ATOM 1094 O VAL A 70 -9.764 -3.456 -0.319 1.00 0.00 O ATOM 1095 CB VAL A 70 -12.382 -3.250 -2.281 1.00 0.00 C ATOM 1096 CG1 VAL A 70 -13.761 -3.851 -2.396 1.00 0.00 C ATOM 1097 CG2 VAL A 70 -12.286 -2.029 -3.151 1.00 0.00 C ATOM 0 H VAL A 70 -13.494 -1.413 -0.814 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.231 -3.846 -0.242 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.648 -3.977 -2.629 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.978 -4.066 -3.442 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.805 -4.775 -1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -14.498 -3.147 -2.010 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.535 -2.294 -4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.983 -1.271 -2.793 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -11.270 -1.635 -3.114 1.00 0.00 H new ATOM 1107 N GLU A 71 -10.189 -1.304 -0.799 1.00 0.00 N ATOM 1108 CA GLU A 71 -8.787 -0.910 -0.656 1.00 0.00 C ATOM 1109 C GLU A 71 -8.293 -1.183 0.753 1.00 0.00 C ATOM 1110 O GLU A 71 -7.172 -1.654 0.941 1.00 0.00 O ATOM 1111 CB GLU A 71 -8.545 0.548 -1.045 1.00 0.00 C ATOM 1112 CG GLU A 71 -8.829 0.846 -2.504 1.00 0.00 C ATOM 1113 CD GLU A 71 -8.408 2.231 -2.913 1.00 0.00 C ATOM 1114 OE1 GLU A 71 -8.946 3.217 -2.362 1.00 0.00 O ATOM 1115 OE2 GLU A 71 -7.537 2.357 -3.818 1.00 0.00 O ATOM 0 H GLU A 71 -10.829 -0.542 -1.022 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.213 -1.521 -1.353 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.171 1.189 -0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.509 0.806 -0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.311 0.116 -3.126 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.896 0.726 -2.693 1.00 0.00 H new ATOM 1122 N ASN A 72 -9.154 -0.929 1.736 1.00 0.00 N ATOM 1123 CA ASN A 72 -8.844 -1.202 3.122 1.00 0.00 C ATOM 1124 C ASN A 72 -8.617 -2.693 3.309 1.00 0.00 C ATOM 1125 O ASN A 72 -7.662 -3.113 3.964 1.00 0.00 O ATOM 1126 CB ASN A 72 -9.998 -0.749 4.017 1.00 0.00 C ATOM 1127 CG ASN A 72 -9.649 -0.816 5.482 1.00 0.00 C ATOM 1128 OD1 ASN A 72 -9.859 -1.826 6.166 1.00 0.00 O ATOM 1129 ND2 ASN A 72 -9.124 0.254 5.977 1.00 0.00 N ATOM 0 H ASN A 72 -10.081 -0.530 1.587 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.942 -0.656 3.397 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.275 0.273 3.759 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.870 -1.374 3.825 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.867 0.287 6.964 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.966 1.067 5.382 1.00 0.00 H new ATOM 1136 N TYR A 73 -9.477 -3.481 2.677 1.00 0.00 N ATOM 1137 CA TYR A 73 -9.419 -4.923 2.758 1.00 0.00 C ATOM 1138 C TYR A 73 -8.107 -5.461 2.222 1.00 0.00 C ATOM 1139 O TYR A 73 -7.475 -6.300 2.865 1.00 0.00 O ATOM 1140 CB TYR A 73 -10.585 -5.563 2.012 1.00 0.00 C ATOM 1141 CG TYR A 73 -10.559 -7.073 2.052 1.00 0.00 C ATOM 1142 CD1 TYR A 73 -10.846 -7.750 3.220 1.00 0.00 C ATOM 1143 CD2 TYR A 73 -10.230 -7.820 0.927 1.00 0.00 C ATOM 1144 CE1 TYR A 73 -10.815 -9.117 3.269 1.00 0.00 C ATOM 1145 CE2 TYR A 73 -10.200 -9.198 0.972 1.00 0.00 C ATOM 1146 CZ TYR A 73 -10.494 -9.837 2.151 1.00 0.00 C ATOM 1147 OH TYR A 73 -10.489 -11.206 2.211 1.00 0.00 O ATOM 0 H TYR A 73 -10.236 -3.130 2.093 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.490 -5.185 3.814 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -11.522 -5.210 2.444 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -10.569 -5.233 0.973 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -11.099 -7.192 4.109 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.994 -7.313 0.003 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.044 -9.629 4.192 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.948 -9.768 0.090 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.242 -11.571 1.336 1.00 0.00 H new ATOM 1157 N LEU A 74 -7.700 -4.998 1.047 1.00 0.00 N ATOM 1158 CA LEU A 74 -6.438 -5.448 0.486 1.00 0.00 C ATOM 1159 C LEU A 74 -5.265 -5.050 1.363 1.00 0.00 C ATOM 1160 O LEU A 74 -4.326 -5.824 1.508 1.00 0.00 O ATOM 1161 CB LEU A 74 -6.206 -5.075 -0.996 1.00 0.00 C ATOM 1162 CG LEU A 74 -7.018 -5.850 -2.078 1.00 0.00 C ATOM 1163 CD1 LEU A 74 -6.958 -7.353 -1.868 1.00 0.00 C ATOM 1164 CD2 LEU A 74 -8.449 -5.381 -2.197 1.00 0.00 C ATOM 0 H LEU A 74 -8.214 -4.326 0.477 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.510 -6.536 0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.423 -4.013 -1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.146 -5.209 -1.213 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.531 -5.621 -3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.537 -7.852 -2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.921 -7.686 -1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.372 -7.601 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.959 -5.960 -2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.958 -5.519 -1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.465 -4.325 -2.468 1.00 0.00 H new ATOM 1176 N ILE A 75 -5.332 -3.859 1.961 1.00 0.00 N ATOM 1177 CA ILE A 75 -4.313 -3.424 2.919 1.00 0.00 C ATOM 1178 C ILE A 75 -4.241 -4.412 4.091 1.00 0.00 C ATOM 1179 O ILE A 75 -3.163 -4.874 4.455 1.00 0.00 O ATOM 1180 CB ILE A 75 -4.579 -1.975 3.449 1.00 0.00 C ATOM 1181 CG1 ILE A 75 -4.425 -0.954 2.309 1.00 0.00 C ATOM 1182 CG2 ILE A 75 -3.658 -1.620 4.629 1.00 0.00 C ATOM 1183 CD1 ILE A 75 -4.732 0.476 2.703 1.00 0.00 C ATOM 0 H ILE A 75 -6.077 -3.181 1.800 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.357 -3.406 2.396 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.604 -1.939 3.818 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.404 -1.002 1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.083 -1.241 1.489 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.874 -0.607 4.967 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.829 -2.320 5.447 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.618 -1.682 4.310 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.598 1.128 1.840 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.762 0.544 3.053 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.057 0.787 3.500 1.00 0.00 H new ATOM 1195 N GLN A 76 -5.401 -4.770 4.634 1.00 0.00 N ATOM 1196 CA GLN A 76 -5.490 -5.713 5.752 1.00 0.00 C ATOM 1197 C GLN A 76 -4.961 -7.090 5.354 1.00 0.00 C ATOM 1198 O GLN A 76 -4.175 -7.697 6.074 1.00 0.00 O ATOM 1199 CB GLN A 76 -6.941 -5.850 6.234 1.00 0.00 C ATOM 1200 CG GLN A 76 -7.574 -4.567 6.762 1.00 0.00 C ATOM 1201 CD GLN A 76 -6.977 -4.067 8.073 1.00 0.00 C ATOM 1202 OE1 GLN A 76 -5.800 -4.270 8.377 1.00 0.00 O ATOM 1203 NE2 GLN A 76 -7.793 -3.407 8.855 1.00 0.00 N ATOM 0 H GLN A 76 -6.304 -4.418 4.315 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.876 -5.317 6.561 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.548 -6.222 5.408 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.976 -6.604 7.021 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.470 -3.787 6.008 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.642 -4.734 6.903 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.761 -3.257 8.572 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.461 -3.042 9.748 1.00 0.00 H new ATOM 1212 N MET A 77 -5.368 -7.555 4.199 1.00 0.00 N ATOM 1213 CA MET A 77 -4.976 -8.867 3.707 1.00 0.00 C ATOM 1214 C MET A 77 -3.462 -8.899 3.415 1.00 0.00 C ATOM 1215 O MET A 77 -2.774 -9.892 3.720 1.00 0.00 O ATOM 1216 CB MET A 77 -5.838 -9.230 2.477 1.00 0.00 C ATOM 1217 CG MET A 77 -5.699 -10.665 1.957 1.00 0.00 C ATOM 1218 SD MET A 77 -4.209 -10.968 0.987 1.00 0.00 S ATOM 1219 CE MET A 77 -4.543 -9.961 -0.455 1.00 0.00 C ATOM 0 H MET A 77 -5.981 -7.040 3.567 1.00 0.00 H new ATOM 0 HA MET A 77 -5.158 -9.626 4.468 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.884 -9.056 2.728 1.00 0.00 H new ATOM 0 HB3 MET A 77 -5.586 -8.545 1.667 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.710 -11.348 2.806 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.570 -10.902 1.346 1.00 0.00 H new ATOM 0 HE1 MET A 77 -3.948 -10.320 -1.295 1.00 0.00 H new ATOM 0 HE2 MET A 77 -5.602 -10.025 -0.706 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.283 -8.924 -0.243 1.00 0.00 H new ATOM 1229 N ALA A 78 -2.939 -7.800 2.876 1.00 0.00 N ATOM 1230 CA ALA A 78 -1.504 -7.667 2.621 1.00 0.00 C ATOM 1231 C ALA A 78 -0.739 -7.615 3.929 1.00 0.00 C ATOM 1232 O ALA A 78 0.346 -8.174 4.051 1.00 0.00 O ATOM 1233 CB ALA A 78 -1.221 -6.422 1.814 1.00 0.00 C ATOM 0 H ALA A 78 -3.489 -6.985 2.606 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.177 -8.537 2.051 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.149 -6.341 1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.745 -6.480 0.860 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.564 -5.546 2.364 1.00 0.00 H new ATOM 1353 N LYS A 86 -1.102 -11.975 -7.421 1.00 0.00 N ATOM 1354 CA LYS A 86 -1.777 -10.721 -7.587 1.00 0.00 C ATOM 1355 C LYS A 86 -3.259 -10.980 -7.788 1.00 0.00 C ATOM 1356 O LYS A 86 -3.650 -11.944 -8.476 1.00 0.00 O ATOM 1357 CB LYS A 86 -1.236 -9.981 -8.799 1.00 0.00 C ATOM 1358 CG LYS A 86 0.198 -9.518 -8.688 1.00 0.00 C ATOM 1359 CD LYS A 86 0.654 -8.908 -9.999 1.00 0.00 C ATOM 1360 CE LYS A 86 2.064 -8.369 -9.906 1.00 0.00 C ATOM 1361 NZ LYS A 86 2.546 -7.888 -11.219 1.00 0.00 N ATOM 0 HA LYS A 86 -1.614 -10.112 -6.698 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.324 -10.631 -9.670 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.867 -9.112 -8.985 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.290 -8.786 -7.886 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.840 -10.359 -8.427 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.603 -9.659 -10.787 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.025 -8.103 -10.281 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.096 -7.553 -9.184 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.730 -9.149 -9.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.516 -7.525 -11.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.538 -8.673 -11.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.924 -7.127 -11.560 1.00 0.00 H new ATOM 1375 N VAL A 87 -4.063 -10.155 -7.188 1.00 0.00 N ATOM 1376 CA VAL A 87 -5.489 -10.255 -7.303 1.00 0.00 C ATOM 1377 C VAL A 87 -5.905 -9.727 -8.667 1.00 0.00 C ATOM 1378 O VAL A 87 -5.524 -8.615 -9.063 1.00 0.00 O ATOM 1379 CB VAL A 87 -6.206 -9.462 -6.172 1.00 0.00 C ATOM 1380 CG1 VAL A 87 -7.721 -9.595 -6.273 1.00 0.00 C ATOM 1381 CG2 VAL A 87 -5.727 -9.929 -4.803 1.00 0.00 C ATOM 0 H VAL A 87 -3.746 -9.385 -6.599 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.782 -11.300 -7.201 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.951 -8.409 -6.295 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.190 -9.029 -5.468 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -8.057 -9.206 -7.234 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.000 -10.645 -6.189 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -6.240 -9.363 -4.025 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.946 -10.990 -4.683 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.652 -9.769 -4.719 1.00 0.00 H new ATOM 1391 N SER A 88 -6.626 -10.538 -9.381 1.00 0.00 N ATOM 1392 CA SER A 88 -7.091 -10.228 -10.697 1.00 0.00 C ATOM 1393 C SER A 88 -8.434 -9.475 -10.607 1.00 0.00 C ATOM 1394 O SER A 88 -8.959 -9.277 -9.499 1.00 0.00 O ATOM 1395 CB SER A 88 -7.242 -11.544 -11.444 1.00 0.00 C ATOM 1396 OG SER A 88 -6.046 -12.315 -11.326 1.00 0.00 O ATOM 0 H SER A 88 -6.915 -11.460 -9.053 1.00 0.00 H new ATOM 0 HA SER A 88 -6.390 -9.583 -11.227 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.086 -12.104 -11.042 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.458 -11.352 -12.495 1.00 0.00 H new ATOM 0 HG SER A 88 -6.153 -13.161 -11.809 1.00 0.00 H new ATOM 1402 N GLU A 89 -9.004 -9.081 -11.752 1.00 0.00 N ATOM 1403 CA GLU A 89 -10.229 -8.304 -11.765 1.00 0.00 C ATOM 1404 C GLU A 89 -11.354 -9.102 -11.165 1.00 0.00 C ATOM 1405 O GLU A 89 -11.977 -8.648 -10.237 1.00 0.00 O ATOM 1406 CB GLU A 89 -10.607 -7.902 -13.191 1.00 0.00 C ATOM 1407 CG GLU A 89 -9.544 -7.113 -13.914 1.00 0.00 C ATOM 1408 CD GLU A 89 -9.922 -6.796 -15.338 1.00 0.00 C ATOM 1409 OE1 GLU A 89 -9.708 -7.643 -16.229 1.00 0.00 O ATOM 1410 OE2 GLU A 89 -10.434 -5.688 -15.606 1.00 0.00 O ATOM 0 H GLU A 89 -8.629 -9.292 -12.677 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.060 -7.403 -11.176 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.828 -8.803 -13.764 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.523 -7.312 -13.159 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.359 -6.183 -13.376 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.611 -7.677 -13.907 1.00 0.00 H new ATOM 1417 N GLN A 90 -11.515 -10.343 -11.627 1.00 0.00 N ATOM 1418 CA GLN A 90 -12.595 -11.227 -11.172 1.00 0.00 C ATOM 1419 C GLN A 90 -12.485 -11.483 -9.675 1.00 0.00 C ATOM 1420 O GLN A 90 -13.499 -11.528 -8.969 1.00 0.00 O ATOM 1421 CB GLN A 90 -12.576 -12.550 -11.947 1.00 0.00 C ATOM 1422 CG GLN A 90 -12.763 -12.396 -13.458 1.00 0.00 C ATOM 1423 CD GLN A 90 -12.665 -13.716 -14.221 1.00 0.00 C ATOM 1424 OE1 GLN A 90 -11.865 -14.633 -13.729 1.00 0.00 O flip ATOM 1425 NE2 GLN A 90 -13.293 -13.890 -15.275 1.00 0.00 N flip ATOM 0 H GLN A 90 -10.903 -10.765 -12.326 1.00 0.00 H new ATOM 0 HA GLN A 90 -13.546 -10.730 -11.366 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.628 -13.054 -11.759 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -13.363 -13.196 -11.559 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -13.736 -11.945 -13.652 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.010 -11.707 -13.841 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -13.907 -13.157 -15.630 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -13.196 -14.767 -15.788 1.00 0.00 H new ATOM 1434 N GLY A 91 -11.256 -11.597 -9.195 1.00 0.00 N ATOM 1435 CA GLY A 91 -11.019 -11.796 -7.788 1.00 0.00 C ATOM 1436 C GLY A 91 -11.408 -10.579 -6.988 1.00 0.00 C ATOM 1437 O GLY A 91 -11.969 -10.699 -5.900 1.00 0.00 O ATOM 0 H GLY A 91 -10.412 -11.554 -9.766 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.587 -12.659 -7.440 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.965 -12.020 -7.623 1.00 0.00 H new ATOM 1441 N LEU A 92 -11.120 -9.407 -7.534 1.00 0.00 N ATOM 1442 CA LEU A 92 -11.487 -8.148 -6.907 1.00 0.00 C ATOM 1443 C LEU A 92 -13.006 -7.985 -6.909 1.00 0.00 C ATOM 1444 O LEU A 92 -13.580 -7.490 -5.948 1.00 0.00 O ATOM 1445 CB LEU A 92 -10.833 -6.966 -7.635 1.00 0.00 C ATOM 1446 CG LEU A 92 -11.151 -5.571 -7.078 1.00 0.00 C ATOM 1447 CD1 LEU A 92 -10.591 -5.394 -5.670 1.00 0.00 C ATOM 1448 CD2 LEU A 92 -10.632 -4.493 -8.007 1.00 0.00 C ATOM 0 H LEU A 92 -10.627 -9.303 -8.421 1.00 0.00 H new ATOM 0 HA LEU A 92 -11.129 -8.160 -5.878 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.752 -7.106 -7.614 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -11.138 -6.996 -8.681 1.00 0.00 H new ATOM 0 HG LEU A 92 -12.235 -5.475 -7.015 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.833 -4.396 -5.305 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.030 -6.140 -5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.508 -5.520 -5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.868 -3.512 -7.594 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.552 -4.592 -8.112 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -11.103 -4.598 -8.985 1.00 0.00 H new ATOM 1460 N ILE A 93 -13.649 -8.432 -7.988 1.00 0.00 N ATOM 1461 CA ILE A 93 -15.114 -8.354 -8.127 1.00 0.00 C ATOM 1462 C ILE A 93 -15.765 -9.132 -6.995 1.00 0.00 C ATOM 1463 O ILE A 93 -16.743 -8.688 -6.394 1.00 0.00 O ATOM 1464 CB ILE A 93 -15.618 -8.975 -9.456 1.00 0.00 C ATOM 1465 CG1 ILE A 93 -14.835 -8.472 -10.660 1.00 0.00 C ATOM 1466 CG2 ILE A 93 -17.103 -8.726 -9.656 1.00 0.00 C ATOM 1467 CD1 ILE A 93 -14.780 -6.970 -10.863 1.00 0.00 C ATOM 0 H ILE A 93 -13.179 -8.856 -8.788 1.00 0.00 H new ATOM 0 HA ILE A 93 -15.378 -7.297 -8.108 1.00 0.00 H new ATOM 0 HB ILE A 93 -15.452 -10.049 -9.377 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -13.813 -8.841 -10.578 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -15.265 -8.920 -11.556 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -17.424 -9.174 -10.596 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -17.661 -9.172 -8.833 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -17.292 -7.653 -9.683 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -14.193 -6.744 -11.753 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -15.791 -6.582 -10.987 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -14.316 -6.502 -9.995 1.00 0.00 H new ATOM 1479 N GLU A 94 -15.201 -10.288 -6.706 1.00 0.00 N ATOM 1480 CA GLU A 94 -15.684 -11.138 -5.614 1.00 0.00 C ATOM 1481 C GLU A 94 -15.555 -10.435 -4.260 1.00 0.00 C ATOM 1482 O GLU A 94 -16.411 -10.594 -3.387 1.00 0.00 O ATOM 1483 CB GLU A 94 -14.951 -12.476 -5.580 1.00 0.00 C ATOM 1484 CG GLU A 94 -15.170 -13.332 -6.813 1.00 0.00 C ATOM 1485 CD GLU A 94 -16.631 -13.628 -7.073 1.00 0.00 C ATOM 1486 OE1 GLU A 94 -17.185 -14.572 -6.472 1.00 0.00 O ATOM 1487 OE2 GLU A 94 -17.246 -12.938 -7.901 1.00 0.00 O ATOM 0 H GLU A 94 -14.401 -10.670 -7.211 1.00 0.00 H new ATOM 0 HA GLU A 94 -16.740 -11.330 -5.805 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -13.883 -12.291 -5.464 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -15.275 -13.034 -4.701 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -14.747 -12.825 -7.681 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -14.629 -14.271 -6.698 1.00 0.00 H new ATOM 1494 N ILE A 95 -14.503 -9.656 -4.099 1.00 0.00 N ATOM 1495 CA ILE A 95 -14.300 -8.883 -2.879 1.00 0.00 C ATOM 1496 C ILE A 95 -15.299 -7.717 -2.853 1.00 0.00 C ATOM 1497 O ILE A 95 -15.891 -7.395 -1.815 1.00 0.00 O ATOM 1498 CB ILE A 95 -12.846 -8.327 -2.800 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -11.831 -9.479 -2.858 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -12.654 -7.508 -1.527 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -10.379 -9.032 -2.903 1.00 0.00 C ATOM 0 H ILE A 95 -13.770 -9.538 -4.798 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.460 -9.537 -2.021 1.00 0.00 H new ATOM 0 HB ILE A 95 -12.678 -7.673 -3.656 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.975 -10.119 -1.987 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -12.039 -10.087 -3.738 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.633 -7.128 -1.489 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -13.353 -6.671 -1.524 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -12.839 -8.139 -0.657 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -9.730 -9.907 -2.943 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -10.215 -8.418 -3.788 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -10.150 -8.450 -2.010 1.00 0.00 H new ATOM 1513 N LEU A 96 -15.499 -7.127 -4.016 1.00 0.00 N ATOM 1514 CA LEU A 96 -16.415 -6.020 -4.207 1.00 0.00 C ATOM 1515 C LEU A 96 -17.839 -6.437 -3.809 1.00 0.00 C ATOM 1516 O LEU A 96 -18.548 -5.694 -3.140 1.00 0.00 O ATOM 1517 CB LEU A 96 -16.375 -5.567 -5.670 1.00 0.00 C ATOM 1518 CG LEU A 96 -17.153 -4.307 -6.021 1.00 0.00 C ATOM 1519 CD1 LEU A 96 -16.559 -3.104 -5.308 1.00 0.00 C ATOM 1520 CD2 LEU A 96 -17.150 -4.088 -7.525 1.00 0.00 C ATOM 0 H LEU A 96 -15.020 -7.410 -4.871 1.00 0.00 H new ATOM 0 HA LEU A 96 -16.112 -5.187 -3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -15.333 -5.411 -5.949 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -16.752 -6.382 -6.288 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.184 -4.430 -5.691 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.126 -2.210 -5.569 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -16.604 -3.261 -4.230 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.520 -2.977 -5.613 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -17.710 -3.183 -7.762 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -16.123 -3.981 -7.875 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.615 -4.942 -8.018 1.00 0.00 H new ATOM 1532 N LYS A 97 -18.232 -7.638 -4.205 1.00 0.00 N ATOM 1533 CA LYS A 97 -19.544 -8.196 -3.847 1.00 0.00 C ATOM 1534 C LYS A 97 -19.661 -8.366 -2.338 1.00 0.00 C ATOM 1535 O LYS A 97 -20.697 -8.083 -1.742 1.00 0.00 O ATOM 1536 CB LYS A 97 -19.738 -9.564 -4.494 1.00 0.00 C ATOM 1537 CG LYS A 97 -19.804 -9.558 -6.003 1.00 0.00 C ATOM 1538 CD LYS A 97 -19.826 -10.977 -6.527 1.00 0.00 C ATOM 1539 CE LYS A 97 -19.914 -11.016 -8.033 1.00 0.00 C ATOM 1540 NZ LYS A 97 -19.771 -12.384 -8.542 1.00 0.00 N ATOM 0 H LYS A 97 -17.661 -8.257 -4.780 1.00 0.00 H new ATOM 0 HA LYS A 97 -20.305 -7.502 -4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -18.919 -10.214 -4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -20.658 -10.004 -4.108 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -20.696 -9.026 -6.334 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -18.945 -9.025 -6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -18.926 -11.499 -6.202 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -20.675 -11.510 -6.099 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -20.871 -10.605 -8.354 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -19.136 -10.384 -8.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -20.068 -12.417 -9.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -18.777 -12.680 -8.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -20.367 -13.027 -7.982 1.00 0.00 H new ATOM 1554 N LYS A 98 -18.574 -8.769 -1.734 1.00 0.00 N ATOM 1555 CA LYS A 98 -18.526 -9.081 -0.328 1.00 0.00 C ATOM 1556 C LYS A 98 -18.681 -7.806 0.521 1.00 0.00 C ATOM 1557 O LYS A 98 -19.386 -7.805 1.549 1.00 0.00 O ATOM 1558 CB LYS A 98 -17.222 -9.812 -0.043 1.00 0.00 C ATOM 1559 CG LYS A 98 -17.206 -10.623 1.223 1.00 0.00 C ATOM 1560 CD LYS A 98 -15.961 -11.475 1.268 1.00 0.00 C ATOM 1561 CE LYS A 98 -16.034 -12.500 2.366 1.00 0.00 C ATOM 1562 NZ LYS A 98 -14.856 -13.389 2.349 1.00 0.00 N ATOM 0 H LYS A 98 -17.682 -8.892 -2.213 1.00 0.00 H new ATOM 0 HA LYS A 98 -19.358 -9.730 -0.055 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -17.004 -10.473 -0.882 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -16.416 -9.080 0.003 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.237 -9.962 2.089 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -18.093 -11.255 1.272 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -15.827 -11.976 0.309 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.089 -10.839 1.420 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -16.099 -11.998 3.331 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.942 -13.093 2.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -14.935 -14.085 3.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -14.809 -13.885 1.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.993 -12.824 2.481 1.00 0.00 H new ATOM 1576 N VAL A 99 -18.082 -6.710 0.066 1.00 0.00 N ATOM 1577 CA VAL A 99 -18.224 -5.432 0.765 1.00 0.00 C ATOM 1578 C VAL A 99 -19.563 -4.783 0.418 1.00 0.00 C ATOM 1579 O VAL A 99 -20.006 -3.843 1.071 1.00 0.00 O ATOM 1580 CB VAL A 99 -17.058 -4.442 0.497 1.00 0.00 C ATOM 1581 CG1 VAL A 99 -15.725 -5.075 0.853 1.00 0.00 C ATOM 1582 CG2 VAL A 99 -17.056 -3.940 -0.938 1.00 0.00 C ATOM 0 H VAL A 99 -17.501 -6.677 -0.772 1.00 0.00 H new ATOM 0 HA VAL A 99 -18.189 -5.662 1.830 1.00 0.00 H new ATOM 0 HB VAL A 99 -17.212 -3.575 1.140 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.921 -4.365 0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -15.721 -5.346 1.909 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -15.574 -5.969 0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -16.224 -3.250 -1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -16.949 -4.784 -1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -17.994 -3.425 -1.144 1.00 0.00 H new ATOM 1592 N SER A 100 -20.204 -5.291 -0.619 1.00 0.00 N ATOM 1593 CA SER A 100 -21.519 -4.851 -0.982 1.00 0.00 C ATOM 1594 C SER A 100 -22.544 -5.500 -0.047 1.00 0.00 C ATOM 1595 O SER A 100 -23.682 -5.050 0.077 1.00 0.00 O ATOM 1596 CB SER A 100 -21.794 -5.161 -2.449 1.00 0.00 C ATOM 1597 OG SER A 100 -20.875 -4.459 -3.288 1.00 0.00 O ATOM 0 H SER A 100 -19.821 -6.017 -1.225 1.00 0.00 H new ATOM 0 HA SER A 100 -21.597 -3.770 -0.868 1.00 0.00 H new ATOM 0 HB2 SER A 100 -21.708 -6.234 -2.623 1.00 0.00 H new ATOM 0 HB3 SER A 100 -22.816 -4.878 -2.702 1.00 0.00 H new ATOM 0 HG SER A 100 -19.965 -4.783 -3.119 1.00 0.00 H new