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 Set 1.1: A 73 TYR OH : rot -110:sc= 1.16 USER MOD Set 1.2: A 98 LYS NZ :NH3+ -151:sc= 1.2 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 46 GLN : amide:sc= -1.56! C(o=-1.6!,f=-6.2!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 85:sc= 1.09 USER MOD Single : A 57 SER OG : rot 69:sc= 1.22 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 63 LYS NZ :NH3+ -129:sc= 1.04 (180deg=0.352) USER MOD Single : A 66 LYS NZ :NH3+ -161:sc= 0.592 (180deg=0.0756) USER MOD Single : A 67 THR OG1 : rot -100:sc= -1.6! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.0234 K(o=-0.023,f=-1.1) USER MOD Single : A 76 GLN : amide:sc= 0.134 X(o=0.13,f=-0.06) USER MOD Single : A 77 MET CE :methyl -164:sc= -1.4 (180deg=-2.08!) 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 : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 88:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 21 N ALA A 2 39.607 12.425 30.542 1.00 0.00 N ATOM 22 CA ALA A 2 38.219 12.245 30.831 1.00 0.00 C ATOM 23 C ALA A 2 37.382 12.681 29.648 1.00 0.00 C ATOM 24 O ALA A 2 36.706 11.866 29.002 1.00 0.00 O ATOM 25 CB ALA A 2 37.828 13.016 32.073 1.00 0.00 C ATOM 0 HA ALA A 2 38.036 11.187 31.018 1.00 0.00 H new ATOM 0 HB1 ALA A 2 36.768 12.866 32.276 1.00 0.00 H new ATOM 0 HB2 ALA A 2 38.413 12.661 32.921 1.00 0.00 H new ATOM 0 HB3 ALA A 2 38.021 14.078 31.918 1.00 0.00 H new ATOM 31 N ASP A 3 37.492 13.950 29.333 1.00 0.00 N ATOM 32 CA ASP A 3 36.691 14.588 28.309 1.00 0.00 C ATOM 33 C ASP A 3 37.109 14.188 26.923 1.00 0.00 C ATOM 34 O ASP A 3 36.256 13.956 26.061 1.00 0.00 O ATOM 35 CB ASP A 3 36.770 16.106 28.443 1.00 0.00 C ATOM 36 CG ASP A 3 36.108 16.644 29.682 1.00 0.00 C ATOM 37 OD1 ASP A 3 36.652 16.473 30.791 1.00 0.00 O ATOM 38 OD2 ASP A 3 35.035 17.260 29.580 1.00 0.00 O ATOM 0 H ASP A 3 38.152 14.581 29.788 1.00 0.00 H new ATOM 0 HA ASP A 3 35.664 14.253 28.458 1.00 0.00 H new ATOM 0 HB2 ASP A 3 37.818 16.407 28.443 1.00 0.00 H new ATOM 0 HB3 ASP A 3 36.307 16.563 27.568 1.00 0.00 H new ATOM 43 N GLU A 4 38.413 14.104 26.709 1.00 0.00 N ATOM 44 CA GLU A 4 38.975 13.786 25.398 1.00 0.00 C ATOM 45 C GLU A 4 38.490 12.433 24.903 1.00 0.00 C ATOM 46 O GLU A 4 38.048 12.312 23.771 1.00 0.00 O ATOM 47 CB GLU A 4 40.495 13.813 25.451 1.00 0.00 C ATOM 48 CG GLU A 4 41.168 13.749 24.096 1.00 0.00 C ATOM 49 CD GLU A 4 42.657 13.854 24.211 1.00 0.00 C ATOM 50 OE1 GLU A 4 43.167 14.949 24.490 1.00 0.00 O ATOM 51 OE2 GLU A 4 43.362 12.849 24.010 1.00 0.00 O ATOM 0 H GLU A 4 39.113 14.253 27.435 1.00 0.00 H new ATOM 0 HA GLU A 4 38.632 14.545 24.695 1.00 0.00 H new ATOM 0 HB2 GLU A 4 40.813 14.724 25.959 1.00 0.00 H new ATOM 0 HB3 GLU A 4 40.841 12.974 26.055 1.00 0.00 H new ATOM 0 HG2 GLU A 4 40.906 12.812 23.604 1.00 0.00 H new ATOM 0 HG3 GLU A 4 40.794 14.556 23.466 1.00 0.00 H new ATOM 58 N GLU A 5 38.521 11.430 25.778 1.00 0.00 N ATOM 59 CA GLU A 5 38.099 10.083 25.400 1.00 0.00 C ATOM 60 C GLU A 5 36.625 10.077 25.058 1.00 0.00 C ATOM 61 O GLU A 5 36.205 9.449 24.098 1.00 0.00 O ATOM 62 CB GLU A 5 38.331 9.080 26.526 1.00 0.00 C ATOM 63 CG GLU A 5 39.738 9.035 27.076 1.00 0.00 C ATOM 64 CD GLU A 5 40.803 8.834 26.041 1.00 0.00 C ATOM 65 OE1 GLU A 5 40.669 7.941 25.182 1.00 0.00 O ATOM 66 OE2 GLU A 5 41.812 9.552 26.085 1.00 0.00 O ATOM 0 H GLU A 5 38.831 11.523 26.745 1.00 0.00 H new ATOM 0 HA GLU A 5 38.697 9.791 24.536 1.00 0.00 H new ATOM 0 HB2 GLU A 5 37.647 9.312 27.343 1.00 0.00 H new ATOM 0 HB3 GLU A 5 38.069 8.086 26.164 1.00 0.00 H new ATOM 0 HG2 GLU A 5 39.937 9.965 27.608 1.00 0.00 H new ATOM 0 HG3 GLU A 5 39.803 8.230 27.808 1.00 0.00 H new ATOM 73 N LEU A 6 35.857 10.815 25.841 1.00 0.00 N ATOM 74 CA LEU A 6 34.423 10.885 25.680 1.00 0.00 C ATOM 75 C LEU A 6 34.054 11.513 24.338 1.00 0.00 C ATOM 76 O LEU A 6 33.199 10.989 23.609 1.00 0.00 O ATOM 77 CB LEU A 6 33.800 11.674 26.843 1.00 0.00 C ATOM 78 CG LEU A 6 32.270 11.804 26.845 1.00 0.00 C ATOM 79 CD1 LEU A 6 31.601 10.436 26.937 1.00 0.00 C ATOM 80 CD2 LEU A 6 31.818 12.694 27.990 1.00 0.00 C ATOM 0 H LEU A 6 36.216 11.383 26.608 1.00 0.00 H new ATOM 0 HA LEU A 6 34.023 9.871 25.693 1.00 0.00 H new ATOM 0 HB2 LEU A 6 34.103 11.200 27.777 1.00 0.00 H new ATOM 0 HB3 LEU A 6 34.227 12.677 26.841 1.00 0.00 H new ATOM 0 HG LEU A 6 31.968 12.262 25.903 1.00 0.00 H new ATOM 0 HD11 LEU A 6 30.518 10.560 26.936 1.00 0.00 H new ATOM 0 HD12 LEU A 6 31.897 9.828 26.082 1.00 0.00 H new ATOM 0 HD13 LEU A 6 31.909 9.942 27.858 1.00 0.00 H new ATOM 0 HD21 LEU A 6 30.731 12.777 27.979 1.00 0.00 H new ATOM 0 HD22 LEU A 6 32.139 12.260 28.937 1.00 0.00 H new ATOM 0 HD23 LEU A 6 32.259 13.684 27.877 1.00 0.00 H new ATOM 92 N GLU A 7 34.710 12.609 23.987 1.00 0.00 N ATOM 93 CA GLU A 7 34.399 13.256 22.742 1.00 0.00 C ATOM 94 C GLU A 7 34.962 12.503 21.561 1.00 0.00 C ATOM 95 O GLU A 7 34.337 12.459 20.513 1.00 0.00 O ATOM 96 CB GLU A 7 34.721 14.756 22.736 1.00 0.00 C ATOM 97 CG GLU A 7 36.160 15.169 22.981 1.00 0.00 C ATOM 98 CD GLU A 7 36.927 15.319 21.704 1.00 0.00 C ATOM 99 OE1 GLU A 7 36.526 16.166 20.863 1.00 0.00 O ATOM 100 OE2 GLU A 7 37.950 14.659 21.519 1.00 0.00 O ATOM 0 H GLU A 7 35.443 13.054 24.539 1.00 0.00 H new ATOM 0 HA GLU A 7 33.315 13.217 22.633 1.00 0.00 H new ATOM 0 HB2 GLU A 7 34.415 15.161 21.771 1.00 0.00 H new ATOM 0 HB3 GLU A 7 34.101 15.235 23.494 1.00 0.00 H new ATOM 0 HG2 GLU A 7 36.178 16.112 23.527 1.00 0.00 H new ATOM 0 HG3 GLU A 7 36.648 14.426 23.612 1.00 0.00 H new ATOM 107 N ALA A 8 36.119 11.877 21.748 1.00 0.00 N ATOM 108 CA ALA A 8 36.711 11.011 20.730 1.00 0.00 C ATOM 109 C ALA A 8 35.750 9.885 20.417 1.00 0.00 C ATOM 110 O ALA A 8 35.479 9.578 19.252 1.00 0.00 O ATOM 111 CB ALA A 8 38.034 10.430 21.213 1.00 0.00 C ATOM 0 H ALA A 8 36.671 11.953 22.602 1.00 0.00 H new ATOM 0 HA ALA A 8 36.902 11.603 19.835 1.00 0.00 H new ATOM 0 HB1 ALA A 8 38.455 9.789 20.438 1.00 0.00 H new ATOM 0 HB2 ALA A 8 38.729 11.241 21.431 1.00 0.00 H new ATOM 0 HB3 ALA A 8 37.866 9.844 22.116 1.00 0.00 H new ATOM 117 N LEU A 9 35.207 9.300 21.476 1.00 0.00 N ATOM 118 CA LEU A 9 34.230 8.243 21.376 1.00 0.00 C ATOM 119 C LEU A 9 33.006 8.726 20.618 1.00 0.00 C ATOM 120 O LEU A 9 32.500 8.027 19.743 1.00 0.00 O ATOM 121 CB LEU A 9 33.807 7.771 22.763 1.00 0.00 C ATOM 122 CG LEU A 9 32.767 6.658 22.793 1.00 0.00 C ATOM 123 CD1 LEU A 9 33.336 5.365 22.246 1.00 0.00 C ATOM 124 CD2 LEU A 9 32.223 6.472 24.188 1.00 0.00 C ATOM 0 H LEU A 9 35.440 9.554 22.436 1.00 0.00 H new ATOM 0 HA LEU A 9 34.686 7.412 20.838 1.00 0.00 H new ATOM 0 HB2 LEU A 9 34.694 7.429 23.297 1.00 0.00 H new ATOM 0 HB3 LEU A 9 33.414 8.626 23.313 1.00 0.00 H new ATOM 0 HG LEU A 9 31.939 6.950 22.147 1.00 0.00 H new ATOM 0 HD11 LEU A 9 32.572 4.588 22.280 1.00 0.00 H new ATOM 0 HD12 LEU A 9 33.655 5.516 21.215 1.00 0.00 H new ATOM 0 HD13 LEU A 9 34.191 5.059 22.850 1.00 0.00 H new ATOM 0 HD21 LEU A 9 31.482 5.672 24.186 1.00 0.00 H new ATOM 0 HD22 LEU A 9 33.037 6.211 24.864 1.00 0.00 H new ATOM 0 HD23 LEU A 9 31.756 7.398 24.523 1.00 0.00 H new ATOM 136 N ARG A 10 32.542 9.923 20.949 1.00 0.00 N ATOM 137 CA ARG A 10 31.390 10.488 20.285 1.00 0.00 C ATOM 138 C ARG A 10 31.676 10.744 18.809 1.00 0.00 C ATOM 139 O ARG A 10 30.859 10.411 17.965 1.00 0.00 O ATOM 140 CB ARG A 10 30.893 11.769 20.957 1.00 0.00 C ATOM 141 CG ARG A 10 29.649 12.315 20.283 1.00 0.00 C ATOM 142 CD ARG A 10 29.151 13.598 20.898 1.00 0.00 C ATOM 143 NE ARG A 10 27.974 14.083 20.171 1.00 0.00 N ATOM 144 CZ ARG A 10 27.399 15.281 20.324 1.00 0.00 C ATOM 145 NH1 ARG A 10 27.858 16.147 21.237 1.00 0.00 N ATOM 146 NH2 ARG A 10 26.352 15.598 19.574 1.00 0.00 N ATOM 0 H ARG A 10 32.949 10.516 21.673 1.00 0.00 H new ATOM 0 HA ARG A 10 30.594 9.748 20.368 1.00 0.00 H new ATOM 0 HB2 ARG A 10 30.679 11.569 22.007 1.00 0.00 H new ATOM 0 HB3 ARG A 10 31.681 12.522 20.930 1.00 0.00 H new ATOM 0 HG2 ARG A 10 29.861 12.485 19.227 1.00 0.00 H new ATOM 0 HG3 ARG A 10 28.859 11.566 20.333 1.00 0.00 H new ATOM 0 HD2 ARG A 10 28.899 13.434 21.946 1.00 0.00 H new ATOM 0 HD3 ARG A 10 29.938 14.351 20.874 1.00 0.00 H new ATOM 0 HE ARG A 10 27.557 13.451 19.488 1.00 0.00 H new ATOM 0 HH11 ARG A 10 28.653 15.896 21.824 1.00 0.00 H new ATOM 0 HH12 ARG A 10 27.412 17.058 21.345 1.00 0.00 H new ATOM 0 HH21 ARG A 10 25.994 14.931 18.890 1.00 0.00 H new ATOM 0 HH22 ARG A 10 25.905 16.508 19.681 1.00 0.00 H new ATOM 160 N ARG A 11 32.845 11.315 18.510 1.00 0.00 N ATOM 161 CA ARG A 11 33.259 11.583 17.120 1.00 0.00 C ATOM 162 C ARG A 11 33.252 10.287 16.338 1.00 0.00 C ATOM 163 O ARG A 11 32.698 10.210 15.250 1.00 0.00 O ATOM 164 CB ARG A 11 34.681 12.155 17.050 1.00 0.00 C ATOM 165 CG ARG A 11 34.923 13.493 17.729 1.00 0.00 C ATOM 166 CD ARG A 11 36.407 13.794 17.686 1.00 0.00 C ATOM 167 NE ARG A 11 36.807 15.029 18.352 1.00 0.00 N ATOM 168 CZ ARG A 11 37.817 15.815 17.956 1.00 0.00 C ATOM 169 NH1 ARG A 11 38.432 15.602 16.792 1.00 0.00 N ATOM 170 NH2 ARG A 11 38.204 16.812 18.729 1.00 0.00 N ATOM 0 H ARG A 11 33.528 11.604 19.211 1.00 0.00 H new ATOM 0 HA ARG A 11 32.559 12.309 16.705 1.00 0.00 H new ATOM 0 HB2 ARG A 11 35.361 11.425 17.489 1.00 0.00 H new ATOM 0 HB3 ARG A 11 34.954 12.254 16.000 1.00 0.00 H new ATOM 0 HG2 ARG A 11 34.362 14.280 17.225 1.00 0.00 H new ATOM 0 HG3 ARG A 11 34.573 13.463 18.761 1.00 0.00 H new ATOM 0 HD2 ARG A 11 36.944 12.963 18.143 1.00 0.00 H new ATOM 0 HD3 ARG A 11 36.722 13.843 16.644 1.00 0.00 H new ATOM 0 HE ARG A 11 36.280 15.314 19.178 1.00 0.00 H new ATOM 0 HH11 ARG A 11 38.135 14.833 16.191 1.00 0.00 H new ATOM 0 HH12 ARG A 11 39.200 16.208 16.502 1.00 0.00 H new ATOM 0 HH21 ARG A 11 37.735 16.979 19.619 1.00 0.00 H new ATOM 0 HH22 ARG A 11 38.972 17.416 18.436 1.00 0.00 H new ATOM 184 N GLN A 12 33.850 9.275 16.931 1.00 0.00 N ATOM 185 CA GLN A 12 33.962 7.967 16.337 1.00 0.00 C ATOM 186 C GLN A 12 32.579 7.316 16.175 1.00 0.00 C ATOM 187 O GLN A 12 32.283 6.727 15.144 1.00 0.00 O ATOM 188 CB GLN A 12 34.919 7.123 17.171 1.00 0.00 C ATOM 189 CG GLN A 12 35.207 5.744 16.637 1.00 0.00 C ATOM 190 CD GLN A 12 36.342 5.098 17.390 1.00 0.00 C ATOM 191 OE1 GLN A 12 36.142 4.434 18.410 1.00 0.00 O ATOM 192 NE2 GLN A 12 37.534 5.278 16.900 1.00 0.00 N ATOM 0 H GLN A 12 34.278 9.343 17.854 1.00 0.00 H new ATOM 0 HA GLN A 12 34.374 8.049 15.331 1.00 0.00 H new ATOM 0 HB2 GLN A 12 35.862 7.661 17.264 1.00 0.00 H new ATOM 0 HB3 GLN A 12 34.507 7.025 18.176 1.00 0.00 H new ATOM 0 HG2 GLN A 12 34.313 5.125 16.718 1.00 0.00 H new ATOM 0 HG3 GLN A 12 35.457 5.805 15.578 1.00 0.00 H new ATOM 0 HE21 GLN A 12 37.659 5.834 16.054 1.00 0.00 H new ATOM 0 HE22 GLN A 12 38.343 4.863 17.362 1.00 0.00 H new ATOM 201 N ARG A 13 31.729 7.443 17.184 1.00 0.00 N ATOM 202 CA ARG A 13 30.356 6.951 17.082 1.00 0.00 C ATOM 203 C ARG A 13 29.565 7.706 16.017 1.00 0.00 C ATOM 204 O ARG A 13 28.792 7.106 15.280 1.00 0.00 O ATOM 205 CB ARG A 13 29.629 6.981 18.435 1.00 0.00 C ATOM 206 CG ARG A 13 29.562 5.640 19.208 1.00 0.00 C ATOM 207 CD ARG A 13 30.923 4.984 19.476 1.00 0.00 C ATOM 208 NE ARG A 13 31.503 4.325 18.286 1.00 0.00 N ATOM 209 CZ ARG A 13 32.658 3.624 18.273 1.00 0.00 C ATOM 210 NH1 ARG A 13 33.329 3.381 19.404 1.00 0.00 N ATOM 211 NH2 ARG A 13 33.104 3.108 17.135 1.00 0.00 N ATOM 0 H ARG A 13 31.960 7.878 18.077 1.00 0.00 H new ATOM 0 HA ARG A 13 30.420 5.908 16.772 1.00 0.00 H new ATOM 0 HB2 ARG A 13 30.119 7.718 19.071 1.00 0.00 H new ATOM 0 HB3 ARG A 13 28.610 7.331 18.268 1.00 0.00 H new ATOM 0 HG2 ARG A 13 29.063 5.811 20.162 1.00 0.00 H new ATOM 0 HG3 ARG A 13 28.943 4.942 18.644 1.00 0.00 H new ATOM 0 HD2 ARG A 13 31.618 5.742 19.837 1.00 0.00 H new ATOM 0 HD3 ARG A 13 30.812 4.248 20.272 1.00 0.00 H new ATOM 0 HE ARG A 13 30.992 4.406 17.407 1.00 0.00 H new ATOM 0 HH11 ARG A 13 32.970 3.727 20.294 1.00 0.00 H new ATOM 0 HH12 ARG A 13 34.200 2.850 19.377 1.00 0.00 H new ATOM 0 HH21 ARG A 13 32.575 3.241 16.273 1.00 0.00 H new ATOM 0 HH22 ARG A 13 33.976 2.578 17.122 1.00 0.00 H new ATOM 225 N LEU A 14 29.794 9.001 15.904 1.00 0.00 N ATOM 226 CA LEU A 14 29.123 9.810 14.898 1.00 0.00 C ATOM 227 C LEU A 14 29.650 9.459 13.511 1.00 0.00 C ATOM 228 O LEU A 14 28.910 9.468 12.536 1.00 0.00 O ATOM 229 CB LEU A 14 29.300 11.307 15.192 1.00 0.00 C ATOM 230 CG LEU A 14 28.597 12.277 14.232 1.00 0.00 C ATOM 231 CD1 LEU A 14 27.093 12.034 14.223 1.00 0.00 C ATOM 232 CD2 LEU A 14 28.902 13.713 14.613 1.00 0.00 C ATOM 0 H LEU A 14 30.442 9.519 16.498 1.00 0.00 H new ATOM 0 HA LEU A 14 28.056 9.592 14.929 1.00 0.00 H new ATOM 0 HB2 LEU A 14 28.938 11.502 16.201 1.00 0.00 H new ATOM 0 HB3 LEU A 14 30.366 11.533 15.186 1.00 0.00 H new ATOM 0 HG LEU A 14 28.976 12.097 13.226 1.00 0.00 H new ATOM 0 HD11 LEU A 14 26.616 12.733 13.536 1.00 0.00 H new ATOM 0 HD12 LEU A 14 26.891 11.013 13.900 1.00 0.00 H new ATOM 0 HD13 LEU A 14 26.694 12.183 15.227 1.00 0.00 H new ATOM 0 HD21 LEU A 14 28.396 14.388 13.923 1.00 0.00 H new ATOM 0 HD22 LEU A 14 28.552 13.902 15.628 1.00 0.00 H new ATOM 0 HD23 LEU A 14 29.978 13.882 14.563 1.00 0.00 H new ATOM 656 N ILE A 43 2.243 -3.122 -1.202 1.00 0.00 N ATOM 657 CA ILE A 43 1.267 -4.172 -1.123 1.00 0.00 C ATOM 658 C ILE A 43 0.228 -4.067 -2.235 1.00 0.00 C ATOM 659 O ILE A 43 -0.008 -5.023 -2.935 1.00 0.00 O ATOM 660 CB ILE A 43 0.607 -4.329 0.282 1.00 0.00 C ATOM 661 CG1 ILE A 43 -0.127 -3.050 0.730 1.00 0.00 C ATOM 662 CG2 ILE A 43 1.652 -4.754 1.313 1.00 0.00 C ATOM 663 CD1 ILE A 43 -0.781 -3.160 2.091 1.00 0.00 C ATOM 0 HA ILE A 43 1.827 -5.095 -1.277 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.149 -5.111 0.204 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.582 -2.223 0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.889 -2.803 -0.009 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.178 -4.860 2.289 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.089 -5.707 1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.435 -3.998 1.370 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.276 -2.220 2.334 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.516 -3.964 2.077 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.022 -3.375 2.843 1.00 0.00 H new ATOM 675 N LEU A 44 -0.307 -2.889 -2.466 1.00 0.00 N ATOM 676 CA LEU A 44 -1.354 -2.727 -3.469 1.00 0.00 C ATOM 677 C LEU A 44 -0.840 -2.958 -4.898 1.00 0.00 C ATOM 678 O LEU A 44 -1.599 -3.365 -5.764 1.00 0.00 O ATOM 679 CB LEU A 44 -2.014 -1.360 -3.356 1.00 0.00 C ATOM 680 CG LEU A 44 -2.773 -1.047 -2.050 1.00 0.00 C ATOM 681 CD1 LEU A 44 -3.330 0.361 -2.093 1.00 0.00 C ATOM 682 CD2 LEU A 44 -3.902 -2.043 -1.810 1.00 0.00 C ATOM 0 H LEU A 44 -0.042 -2.031 -1.981 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.100 -3.495 -3.266 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.243 -0.601 -3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.712 -1.253 -4.186 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.065 -1.131 -1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.863 0.570 -1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.512 1.072 -2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.016 0.455 -2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.416 -1.794 -0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.608 -1.999 -2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.490 -3.049 -1.737 1.00 0.00 H new ATOM 694 N ALA A 45 0.436 -2.717 -5.137 1.00 0.00 N ATOM 695 CA ALA A 45 0.997 -2.927 -6.462 1.00 0.00 C ATOM 696 C ALA A 45 1.343 -4.391 -6.710 1.00 0.00 C ATOM 697 O ALA A 45 1.265 -4.866 -7.839 1.00 0.00 O ATOM 698 CB ALA A 45 2.209 -2.043 -6.705 1.00 0.00 C ATOM 0 H ALA A 45 1.099 -2.379 -4.440 1.00 0.00 H new ATOM 0 HA ALA A 45 0.223 -2.643 -7.175 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.600 -2.229 -7.705 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.919 -0.996 -6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.978 -2.270 -5.967 1.00 0.00 H new ATOM 704 N GLN A 46 1.717 -5.112 -5.673 1.00 0.00 N ATOM 705 CA GLN A 46 2.051 -6.517 -5.850 1.00 0.00 C ATOM 706 C GLN A 46 0.813 -7.393 -5.725 1.00 0.00 C ATOM 707 O GLN A 46 0.581 -8.281 -6.558 1.00 0.00 O ATOM 708 CB GLN A 46 3.137 -6.982 -4.870 1.00 0.00 C ATOM 709 CG GLN A 46 4.488 -6.250 -4.970 1.00 0.00 C ATOM 710 CD GLN A 46 5.165 -6.328 -6.343 1.00 0.00 C ATOM 711 OE1 GLN A 46 4.522 -6.372 -7.386 1.00 0.00 O ATOM 712 NE2 GLN A 46 6.466 -6.391 -6.346 1.00 0.00 N ATOM 0 H GLN A 46 1.797 -4.762 -4.718 1.00 0.00 H new ATOM 0 HA GLN A 46 2.453 -6.621 -6.858 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.757 -6.867 -3.855 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.310 -8.047 -5.027 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.336 -5.201 -4.715 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.165 -6.664 -4.223 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.980 -6.353 -5.466 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.970 -6.479 -7.228 1.00 0.00 H new ATOM 721 N VAL A 47 0.000 -7.103 -4.720 1.00 0.00 N ATOM 722 CA VAL A 47 -1.203 -7.872 -4.430 1.00 0.00 C ATOM 723 C VAL A 47 -2.246 -7.646 -5.498 1.00 0.00 C ATOM 724 O VAL A 47 -2.835 -8.579 -5.988 1.00 0.00 O ATOM 725 CB VAL A 47 -1.779 -7.496 -3.035 1.00 0.00 C ATOM 726 CG1 VAL A 47 -3.084 -8.204 -2.753 1.00 0.00 C ATOM 727 CG2 VAL A 47 -0.762 -7.793 -1.944 1.00 0.00 C ATOM 0 H VAL A 47 0.156 -6.325 -4.080 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.933 -8.928 -4.419 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.986 -6.426 -3.043 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.451 -7.913 -1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.818 -7.929 -3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.925 -9.282 -2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.180 -7.524 -0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.519 -8.855 -1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.143 -7.212 -2.122 1.00 0.00 H new ATOM 737 N LEU A 48 -2.451 -6.427 -5.883 1.00 0.00 N ATOM 738 CA LEU A 48 -3.401 -6.166 -6.921 1.00 0.00 C ATOM 739 C LEU A 48 -2.719 -6.180 -8.242 1.00 0.00 C ATOM 740 O LEU A 48 -1.710 -5.501 -8.428 1.00 0.00 O ATOM 741 CB LEU A 48 -4.121 -4.833 -6.734 1.00 0.00 C ATOM 742 CG LEU A 48 -5.114 -4.738 -5.581 1.00 0.00 C ATOM 743 CD1 LEU A 48 -5.628 -3.314 -5.448 1.00 0.00 C ATOM 744 CD2 LEU A 48 -6.271 -5.681 -5.828 1.00 0.00 C ATOM 0 H LEU A 48 -1.982 -5.605 -5.502 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.153 -6.953 -6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.367 -4.057 -6.597 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.652 -4.602 -7.658 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.611 -5.018 -4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.336 -3.259 -4.621 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.792 -2.642 -5.255 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.125 -3.019 -6.372 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.980 -5.612 -5.003 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.770 -5.409 -6.758 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.898 -6.703 -5.901 1.00 0.00 H new ATOM 756 N ASP A 49 -3.241 -6.970 -9.143 1.00 0.00 N ATOM 757 CA ASP A 49 -2.778 -6.998 -10.509 1.00 0.00 C ATOM 758 C ASP A 49 -2.991 -5.619 -11.119 1.00 0.00 C ATOM 759 O ASP A 49 -3.882 -4.872 -10.688 1.00 0.00 O ATOM 760 CB ASP A 49 -3.560 -8.053 -11.303 1.00 0.00 C ATOM 761 CG ASP A 49 -3.166 -8.137 -12.761 1.00 0.00 C ATOM 762 OD1 ASP A 49 -2.254 -8.904 -13.096 1.00 0.00 O ATOM 763 OD2 ASP A 49 -3.798 -7.460 -13.599 1.00 0.00 O ATOM 0 H ASP A 49 -4.005 -7.618 -8.950 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.720 -7.257 -10.541 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.410 -9.028 -10.839 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.625 -7.829 -11.236 1.00 0.00 H new ATOM 768 N GLN A 50 -2.192 -5.284 -12.088 1.00 0.00 N ATOM 769 CA GLN A 50 -2.239 -3.983 -12.756 1.00 0.00 C ATOM 770 C GLN A 50 -3.644 -3.677 -13.307 1.00 0.00 C ATOM 771 O GLN A 50 -4.102 -2.521 -13.287 1.00 0.00 O ATOM 772 CB GLN A 50 -1.209 -3.950 -13.878 1.00 0.00 C ATOM 773 CG GLN A 50 -1.063 -2.605 -14.561 1.00 0.00 C ATOM 774 CD GLN A 50 -0.039 -2.655 -15.658 1.00 0.00 C ATOM 775 OE1 GLN A 50 1.143 -2.420 -15.430 1.00 0.00 O ATOM 776 NE2 GLN A 50 -0.469 -2.965 -16.843 1.00 0.00 N ATOM 0 H GLN A 50 -1.471 -5.906 -12.455 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.004 -3.213 -12.021 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.241 -4.244 -13.473 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.482 -4.695 -14.626 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.025 -2.298 -14.973 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.776 -1.852 -13.827 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.460 -3.154 -16.993 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.184 -3.020 -17.624 1.00 0.00 H new ATOM 785 N SER A 51 -4.345 -4.713 -13.712 1.00 0.00 N ATOM 786 CA SER A 51 -5.659 -4.567 -14.289 1.00 0.00 C ATOM 787 C SER A 51 -6.676 -4.341 -13.165 1.00 0.00 C ATOM 788 O SER A 51 -7.688 -3.665 -13.339 1.00 0.00 O ATOM 789 CB SER A 51 -5.998 -5.826 -15.070 1.00 0.00 C ATOM 790 OG SER A 51 -4.855 -6.274 -15.808 1.00 0.00 O ATOM 0 H SER A 51 -4.019 -5.678 -13.650 1.00 0.00 H new ATOM 0 HA SER A 51 -5.686 -3.713 -14.966 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.328 -6.608 -14.387 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.825 -5.628 -15.752 1.00 0.00 H new ATOM 0 HG SER A 51 -4.286 -6.823 -15.229 1.00 0.00 H new ATOM 796 N ALA A 52 -6.351 -4.856 -11.989 1.00 0.00 N ATOM 797 CA ALA A 52 -7.204 -4.729 -10.838 1.00 0.00 C ATOM 798 C ALA A 52 -7.186 -3.296 -10.347 1.00 0.00 C ATOM 799 O ALA A 52 -8.205 -2.776 -9.932 1.00 0.00 O ATOM 800 CB ALA A 52 -6.799 -5.702 -9.739 1.00 0.00 C ATOM 0 H ALA A 52 -5.488 -5.371 -11.815 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.224 -4.985 -11.126 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.463 -5.581 -8.883 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.871 -6.723 -10.113 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.773 -5.499 -9.434 1.00 0.00 H new ATOM 806 N ARG A 53 -6.033 -2.630 -10.445 1.00 0.00 N ATOM 807 CA ARG A 53 -5.980 -1.225 -10.059 1.00 0.00 C ATOM 808 C ARG A 53 -6.711 -0.356 -11.076 1.00 0.00 C ATOM 809 O ARG A 53 -7.244 0.698 -10.736 1.00 0.00 O ATOM 810 CB ARG A 53 -4.564 -0.693 -9.797 1.00 0.00 C ATOM 811 CG ARG A 53 -3.864 -1.317 -8.597 1.00 0.00 C ATOM 812 CD ARG A 53 -2.875 -2.378 -9.018 1.00 0.00 C ATOM 813 NE ARG A 53 -1.787 -1.792 -9.823 1.00 0.00 N ATOM 814 CZ ARG A 53 -0.648 -2.395 -10.176 1.00 0.00 C ATOM 815 NH1 ARG A 53 -0.363 -3.613 -9.761 1.00 0.00 N ATOM 816 NH2 ARG A 53 0.215 -1.755 -10.935 1.00 0.00 N ATOM 0 H ARG A 53 -5.154 -3.027 -10.777 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.493 -1.166 -9.099 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.956 -0.864 -10.685 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.617 0.386 -9.650 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.347 -0.541 -8.033 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.606 -1.755 -7.930 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.459 -2.864 -8.135 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.386 -3.149 -9.595 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.917 -0.832 -10.142 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.017 -4.113 -9.159 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.512 -4.056 -10.042 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.012 -0.806 -11.249 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.087 -2.208 -11.209 1.00 0.00 H new ATOM 830 N ALA A 54 -6.772 -0.823 -12.316 1.00 0.00 N ATOM 831 CA ALA A 54 -7.518 -0.133 -13.352 1.00 0.00 C ATOM 832 C ALA A 54 -9.008 -0.233 -13.041 1.00 0.00 C ATOM 833 O ALA A 54 -9.752 0.757 -13.130 1.00 0.00 O ATOM 834 CB ALA A 54 -7.211 -0.724 -14.722 1.00 0.00 C ATOM 0 H ALA A 54 -6.312 -1.679 -12.626 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.223 0.916 -13.373 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.781 -0.192 -15.484 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.146 -0.625 -14.931 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.486 -1.779 -14.733 1.00 0.00 H new ATOM 840 N ARG A 55 -9.432 -1.428 -12.650 1.00 0.00 N ATOM 841 CA ARG A 55 -10.790 -1.688 -12.236 1.00 0.00 C ATOM 842 C ARG A 55 -11.122 -0.863 -10.984 1.00 0.00 C ATOM 843 O ARG A 55 -12.202 -0.299 -10.869 1.00 0.00 O ATOM 844 CB ARG A 55 -10.941 -3.171 -11.942 1.00 0.00 C ATOM 845 CG ARG A 55 -12.368 -3.601 -11.769 1.00 0.00 C ATOM 846 CD ARG A 55 -13.156 -3.381 -13.050 1.00 0.00 C ATOM 847 NE ARG A 55 -12.565 -4.081 -14.195 1.00 0.00 N ATOM 848 CZ ARG A 55 -13.117 -4.205 -15.401 1.00 0.00 C ATOM 849 NH1 ARG A 55 -14.343 -3.757 -15.642 1.00 0.00 N ATOM 850 NH2 ARG A 55 -12.437 -4.813 -16.352 1.00 0.00 N ATOM 0 H ARG A 55 -8.828 -2.250 -12.614 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.479 -1.403 -13.031 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.493 -3.743 -12.755 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.384 -3.413 -11.037 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.404 -4.654 -11.491 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -12.826 -3.040 -10.954 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.181 -3.724 -12.907 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.204 -2.314 -13.265 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.651 -4.511 -14.056 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.878 -3.309 -14.898 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.750 -3.860 -16.571 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.505 -5.179 -16.158 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.843 -4.918 -17.282 1.00 0.00 H new ATOM 864 N LEU A 56 -10.161 -0.788 -10.079 1.00 0.00 N ATOM 865 CA LEU A 56 -10.268 -0.018 -8.843 1.00 0.00 C ATOM 866 C LEU A 56 -10.505 1.463 -9.153 1.00 0.00 C ATOM 867 O LEU A 56 -11.346 2.116 -8.535 1.00 0.00 O ATOM 868 CB LEU A 56 -8.977 -0.187 -8.034 1.00 0.00 C ATOM 869 CG LEU A 56 -8.904 0.527 -6.691 1.00 0.00 C ATOM 870 CD1 LEU A 56 -9.954 -0.011 -5.746 1.00 0.00 C ATOM 871 CD2 LEU A 56 -7.516 0.376 -6.092 1.00 0.00 C ATOM 0 H LEU A 56 -9.267 -1.268 -10.181 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.115 -0.385 -8.263 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.823 -1.252 -7.860 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.145 0.159 -8.647 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.100 1.588 -6.849 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.886 0.511 -4.792 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.944 0.144 -6.175 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.790 -1.077 -5.589 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.476 0.891 -5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.296 -0.682 -5.946 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.779 0.810 -6.767 1.00 0.00 H new ATOM 883 N SER A 57 -9.775 1.966 -10.125 1.00 0.00 N ATOM 884 CA SER A 57 -9.894 3.337 -10.556 1.00 0.00 C ATOM 885 C SER A 57 -11.288 3.616 -11.126 1.00 0.00 C ATOM 886 O SER A 57 -11.904 4.628 -10.808 1.00 0.00 O ATOM 887 CB SER A 57 -8.812 3.625 -11.574 1.00 0.00 C ATOM 888 OG SER A 57 -7.524 3.413 -10.998 1.00 0.00 O ATOM 0 H SER A 57 -9.078 1.429 -10.641 1.00 0.00 H new ATOM 0 HA SER A 57 -9.765 4.000 -9.701 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.940 2.980 -12.444 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.897 4.654 -11.924 1.00 0.00 H new ATOM 0 HG SER A 57 -7.392 2.456 -10.836 1.00 0.00 H new ATOM 894 N ASN A 58 -11.776 2.694 -11.937 1.00 0.00 N ATOM 895 CA ASN A 58 -13.131 2.772 -12.509 1.00 0.00 C ATOM 896 C ASN A 58 -14.197 2.729 -11.407 1.00 0.00 C ATOM 897 O ASN A 58 -15.207 3.437 -11.465 1.00 0.00 O ATOM 898 CB ASN A 58 -13.356 1.626 -13.513 1.00 0.00 C ATOM 899 CG ASN A 58 -14.809 1.483 -13.959 1.00 0.00 C ATOM 900 OD1 ASN A 58 -15.585 0.744 -13.350 1.00 0.00 O ATOM 901 ND2 ASN A 58 -15.190 2.172 -15.005 1.00 0.00 N ATOM 0 H ASN A 58 -11.254 1.866 -12.224 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.222 3.723 -13.033 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.730 1.794 -14.390 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.029 0.689 -13.062 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.152 2.106 -15.337 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -14.525 2.775 -15.488 1.00 0.00 H new ATOM 908 N LEU A 59 -13.933 1.927 -10.393 1.00 0.00 N ATOM 909 CA LEU A 59 -14.839 1.737 -9.269 1.00 0.00 C ATOM 910 C LEU A 59 -15.016 3.066 -8.517 1.00 0.00 C ATOM 911 O LEU A 59 -16.101 3.380 -8.023 1.00 0.00 O ATOM 912 CB LEU A 59 -14.260 0.648 -8.345 1.00 0.00 C ATOM 913 CG LEU A 59 -15.254 -0.225 -7.544 1.00 0.00 C ATOM 914 CD1 LEU A 59 -16.029 0.570 -6.510 1.00 0.00 C ATOM 915 CD2 LEU A 59 -16.208 -0.945 -8.487 1.00 0.00 C ATOM 0 H LEU A 59 -13.074 1.381 -10.323 1.00 0.00 H new ATOM 0 HA LEU A 59 -15.820 1.417 -9.621 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.647 -0.016 -8.954 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.593 1.134 -7.633 1.00 0.00 H new ATOM 0 HG LEU A 59 -14.663 -0.961 -6.999 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -16.711 -0.093 -5.978 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -15.334 1.020 -5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -16.599 1.355 -7.007 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -16.901 -1.555 -7.908 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -16.768 -0.212 -9.068 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.639 -1.584 -9.162 1.00 0.00 H new ATOM 927 N ALA A 60 -13.955 3.851 -8.488 1.00 0.00 N ATOM 928 CA ALA A 60 -13.958 5.169 -7.844 1.00 0.00 C ATOM 929 C ALA A 60 -14.942 6.135 -8.530 1.00 0.00 C ATOM 930 O ALA A 60 -15.404 7.119 -7.931 1.00 0.00 O ATOM 931 CB ALA A 60 -12.562 5.756 -7.859 1.00 0.00 C ATOM 0 H ALA A 60 -13.060 3.600 -8.909 1.00 0.00 H new ATOM 0 HA ALA A 60 -14.286 5.035 -6.813 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -12.574 6.735 -7.379 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.884 5.095 -7.320 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.223 5.861 -8.889 1.00 0.00 H new ATOM 937 N LEU A 61 -15.256 5.858 -9.778 1.00 0.00 N ATOM 938 CA LEU A 61 -16.200 6.666 -10.516 1.00 0.00 C ATOM 939 C LEU A 61 -17.621 6.310 -10.149 1.00 0.00 C ATOM 940 O LEU A 61 -18.487 7.185 -10.104 1.00 0.00 O ATOM 941 CB LEU A 61 -16.002 6.572 -12.042 1.00 0.00 C ATOM 942 CG LEU A 61 -14.867 7.406 -12.673 1.00 0.00 C ATOM 943 CD1 LEU A 61 -13.504 6.984 -12.179 1.00 0.00 C ATOM 944 CD2 LEU A 61 -14.930 7.324 -14.186 1.00 0.00 C ATOM 0 H LEU A 61 -14.868 5.075 -10.304 1.00 0.00 H new ATOM 0 HA LEU A 61 -16.007 7.700 -10.231 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -15.828 5.526 -12.293 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -16.937 6.864 -12.520 1.00 0.00 H new ATOM 0 HG LEU A 61 -15.016 8.440 -12.363 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -12.739 7.600 -12.652 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -13.454 7.110 -11.097 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -13.334 5.937 -12.431 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -14.123 7.917 -14.616 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -14.823 6.285 -14.499 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -15.889 7.710 -14.532 1.00 0.00 H new ATOM 956 N VAL A 62 -17.859 5.057 -9.829 1.00 0.00 N ATOM 957 CA VAL A 62 -19.204 4.632 -9.521 1.00 0.00 C ATOM 958 C VAL A 62 -19.566 4.810 -8.038 1.00 0.00 C ATOM 959 O VAL A 62 -20.496 5.554 -7.722 1.00 0.00 O ATOM 960 CB VAL A 62 -19.556 3.211 -10.074 1.00 0.00 C ATOM 961 CG1 VAL A 62 -19.463 3.214 -11.589 1.00 0.00 C ATOM 962 CG2 VAL A 62 -18.655 2.122 -9.508 1.00 0.00 C ATOM 0 H VAL A 62 -17.150 4.326 -9.776 1.00 0.00 H new ATOM 0 HA VAL A 62 -19.852 5.317 -10.069 1.00 0.00 H new ATOM 0 HB VAL A 62 -20.574 2.985 -9.757 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -19.709 2.223 -11.971 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -20.164 3.943 -11.995 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -18.449 3.478 -11.891 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -18.944 1.157 -9.925 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -17.618 2.335 -9.770 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -18.757 2.093 -8.423 1.00 0.00 H new ATOM 972 N LYS A 63 -18.816 4.187 -7.137 1.00 0.00 N ATOM 973 CA LYS A 63 -19.074 4.285 -5.697 1.00 0.00 C ATOM 974 C LYS A 63 -17.768 4.238 -4.916 1.00 0.00 C ATOM 975 O LYS A 63 -17.226 3.157 -4.679 1.00 0.00 O ATOM 976 CB LYS A 63 -20.023 3.174 -5.178 1.00 0.00 C ATOM 977 CG LYS A 63 -21.471 3.270 -5.667 1.00 0.00 C ATOM 978 CD LYS A 63 -22.356 2.162 -5.086 1.00 0.00 C ATOM 979 CE LYS A 63 -22.452 2.237 -3.561 1.00 0.00 C ATOM 980 NZ LYS A 63 -23.099 3.480 -3.080 1.00 0.00 N ATOM 0 H LYS A 63 -18.016 3.602 -7.377 1.00 0.00 H new ATOM 0 HA LYS A 63 -19.570 5.243 -5.539 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -19.620 2.206 -5.476 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -20.022 3.198 -4.088 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -21.881 4.242 -5.392 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -21.489 3.213 -6.755 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -23.355 2.235 -5.515 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -21.955 1.190 -5.376 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -23.014 1.377 -3.196 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -21.451 2.168 -3.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -22.498 3.927 -2.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -23.228 4.135 -3.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -24.025 3.251 -2.666 1.00 0.00 H new ATOM 994 N PRO A 64 -17.265 5.407 -4.469 1.00 0.00 N ATOM 995 CA PRO A 64 -15.974 5.511 -3.752 1.00 0.00 C ATOM 996 C PRO A 64 -15.991 4.786 -2.412 1.00 0.00 C ATOM 997 O PRO A 64 -14.942 4.428 -1.870 1.00 0.00 O ATOM 998 CB PRO A 64 -15.796 7.013 -3.527 1.00 0.00 C ATOM 999 CG PRO A 64 -16.751 7.669 -4.463 1.00 0.00 C ATOM 1000 CD PRO A 64 -17.898 6.724 -4.622 1.00 0.00 C ATOM 0 HA PRO A 64 -15.167 5.052 -4.323 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.011 7.284 -2.493 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -14.771 7.322 -3.731 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -17.088 8.627 -4.066 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.277 7.871 -5.424 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -18.667 6.892 -3.868 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -18.377 6.831 -5.595 1.00 0.00 H new ATOM 1008 N GLU A 65 -17.191 4.557 -1.898 1.00 0.00 N ATOM 1009 CA GLU A 65 -17.378 3.855 -0.644 1.00 0.00 C ATOM 1010 C GLU A 65 -16.827 2.448 -0.777 1.00 0.00 C ATOM 1011 O GLU A 65 -16.124 1.955 0.079 1.00 0.00 O ATOM 1012 CB GLU A 65 -18.837 3.713 -0.336 1.00 0.00 C ATOM 1013 CG GLU A 65 -19.660 4.958 -0.401 1.00 0.00 C ATOM 1014 CD GLU A 65 -21.083 4.609 -0.130 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -21.609 3.712 -0.815 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -21.662 5.133 0.844 1.00 0.00 O ATOM 0 H GLU A 65 -18.060 4.854 -2.341 1.00 0.00 H new ATOM 0 HA GLU A 65 -16.873 4.419 0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -19.262 2.987 -1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -18.934 3.293 0.665 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -19.304 5.684 0.330 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -19.566 5.422 -1.383 1.00 0.00 H new ATOM 1023 N LYS A 66 -17.157 1.819 -1.883 1.00 0.00 N ATOM 1024 CA LYS A 66 -16.721 0.474 -2.141 1.00 0.00 C ATOM 1025 C LYS A 66 -15.245 0.454 -2.524 1.00 0.00 C ATOM 1026 O LYS A 66 -14.550 -0.512 -2.242 1.00 0.00 O ATOM 1027 CB LYS A 66 -17.599 -0.222 -3.198 1.00 0.00 C ATOM 1028 CG LYS A 66 -18.942 -0.872 -2.720 1.00 0.00 C ATOM 1029 CD LYS A 66 -19.958 0.073 -2.034 1.00 0.00 C ATOM 1030 CE LYS A 66 -19.722 0.214 -0.527 1.00 0.00 C ATOM 1031 NZ LYS A 66 -20.758 1.054 0.142 1.00 0.00 N ATOM 0 H LYS A 66 -17.731 2.226 -2.621 1.00 0.00 H new ATOM 0 HA LYS A 66 -16.836 -0.098 -1.220 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.837 0.510 -3.970 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.000 -1.000 -3.671 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -19.428 -1.327 -3.583 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -18.703 -1.679 -2.027 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.901 1.057 -2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -20.967 -0.302 -2.205 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.713 -0.776 -0.071 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.739 0.653 -0.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.398 1.384 1.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.980 1.874 -0.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -21.619 0.490 0.291 1.00 0.00 H new ATOM 1045 N THR A 67 -14.774 1.539 -3.144 1.00 0.00 N ATOM 1046 CA THR A 67 -13.380 1.671 -3.518 1.00 0.00 C ATOM 1047 C THR A 67 -12.509 1.644 -2.257 1.00 0.00 C ATOM 1048 O THR A 67 -11.594 0.834 -2.141 1.00 0.00 O ATOM 1049 CB THR A 67 -13.161 3.016 -4.212 1.00 0.00 C ATOM 1050 OG1 THR A 67 -14.258 3.266 -5.107 1.00 0.00 O ATOM 1051 CG2 THR A 67 -11.865 3.015 -5.007 1.00 0.00 C ATOM 0 H THR A 67 -15.351 2.341 -3.396 1.00 0.00 H new ATOM 0 HA THR A 67 -13.114 0.851 -4.185 1.00 0.00 H new ATOM 0 HB THR A 67 -13.102 3.794 -3.451 1.00 0.00 H new ATOM 0 HG1 THR A 67 -13.990 3.045 -6.023 1.00 0.00 H new ATOM 0 HG21 THR A 67 -11.734 3.983 -5.490 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.027 2.828 -4.336 1.00 0.00 H new ATOM 0 HG23 THR A 67 -11.904 2.233 -5.766 1.00 0.00 H new ATOM 1059 N LYS A 68 -12.852 2.490 -1.284 1.00 0.00 N ATOM 1060 CA LYS A 68 -12.099 2.554 -0.042 1.00 0.00 C ATOM 1061 C LYS A 68 -12.246 1.259 0.739 1.00 0.00 C ATOM 1062 O LYS A 68 -11.344 0.864 1.465 1.00 0.00 O ATOM 1063 CB LYS A 68 -12.514 3.747 0.834 1.00 0.00 C ATOM 1064 CG LYS A 68 -13.942 3.695 1.327 1.00 0.00 C ATOM 1065 CD LYS A 68 -14.214 4.742 2.371 1.00 0.00 C ATOM 1066 CE LYS A 68 -15.623 4.617 2.906 1.00 0.00 C ATOM 1067 NZ LYS A 68 -15.860 5.531 4.029 1.00 0.00 N ATOM 0 H LYS A 68 -13.641 3.134 -1.336 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.053 2.696 -0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.847 3.799 1.695 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.372 4.666 0.265 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -14.621 3.836 0.486 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.147 2.708 1.741 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.500 4.640 3.188 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.070 5.734 1.943 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.335 4.828 2.108 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.800 3.591 3.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.836 5.417 4.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.197 5.313 4.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.715 6.512 3.715 1.00 0.00 H new ATOM 1081 N ALA A 69 -13.398 0.613 0.593 1.00 0.00 N ATOM 1082 CA ALA A 69 -13.668 -0.633 1.270 1.00 0.00 C ATOM 1083 C ALA A 69 -12.755 -1.737 0.752 1.00 0.00 C ATOM 1084 O ALA A 69 -12.105 -2.418 1.544 1.00 0.00 O ATOM 1085 CB ALA A 69 -15.129 -1.016 1.138 1.00 0.00 C ATOM 0 H ALA A 69 -14.162 0.943 0.003 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.458 -0.498 2.331 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -15.306 -1.958 1.657 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -15.751 -0.237 1.579 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.382 -1.129 0.084 1.00 0.00 H new ATOM 1091 N VAL A 70 -12.674 -1.896 -0.574 1.00 0.00 N ATOM 1092 CA VAL A 70 -11.789 -2.905 -1.131 1.00 0.00 C ATOM 1093 C VAL A 70 -10.316 -2.570 -0.857 1.00 0.00 C ATOM 1094 O VAL A 70 -9.540 -3.453 -0.525 1.00 0.00 O ATOM 1095 CB VAL A 70 -12.031 -3.218 -2.649 1.00 0.00 C ATOM 1096 CG1 VAL A 70 -13.427 -3.758 -2.876 1.00 0.00 C ATOM 1097 CG2 VAL A 70 -11.803 -2.008 -3.526 1.00 0.00 C ATOM 0 H VAL A 70 -13.198 -1.352 -1.259 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.042 -3.826 -0.607 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.302 -3.978 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.568 -3.967 -3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.559 -4.677 -2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -14.160 -3.020 -2.551 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.983 -2.274 -4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.487 -1.212 -3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.775 -1.664 -3.412 1.00 0.00 H new ATOM 1107 N GLU A 71 -9.952 -1.284 -0.938 1.00 0.00 N ATOM 1108 CA GLU A 71 -8.580 -0.856 -0.646 1.00 0.00 C ATOM 1109 C GLU A 71 -8.191 -1.226 0.795 1.00 0.00 C ATOM 1110 O GLU A 71 -7.160 -1.861 1.022 1.00 0.00 O ATOM 1111 CB GLU A 71 -8.391 0.656 -0.916 1.00 0.00 C ATOM 1112 CG GLU A 71 -8.468 1.036 -2.388 1.00 0.00 C ATOM 1113 CD GLU A 71 -8.261 2.518 -2.635 1.00 0.00 C ATOM 1114 OE1 GLU A 71 -9.202 3.322 -2.406 1.00 0.00 O ATOM 1115 OE2 GLU A 71 -7.150 2.925 -3.073 1.00 0.00 O ATOM 0 H GLU A 71 -10.584 -0.528 -1.201 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.909 -1.388 -1.320 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.153 1.211 -0.368 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.424 0.967 -0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.716 0.474 -2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.440 0.741 -2.782 1.00 0.00 H new ATOM 1122 N ASN A 72 -9.056 -0.869 1.738 1.00 0.00 N ATOM 1123 CA ASN A 72 -8.895 -1.169 3.161 1.00 0.00 C ATOM 1124 C ASN A 72 -8.764 -2.686 3.356 1.00 0.00 C ATOM 1125 O ASN A 72 -7.889 -3.171 4.105 1.00 0.00 O ATOM 1126 CB ASN A 72 -10.159 -0.667 3.880 1.00 0.00 C ATOM 1127 CG ASN A 72 -10.091 -0.625 5.392 1.00 0.00 C ATOM 1128 OD1 ASN A 72 -9.382 -1.389 6.047 1.00 0.00 O ATOM 1129 ND2 ASN A 72 -10.841 0.277 5.957 1.00 0.00 N ATOM 0 H ASN A 72 -9.910 -0.350 1.532 1.00 0.00 H new ATOM 0 HA ASN A 72 -8.002 -0.687 3.560 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.384 0.336 3.518 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.994 -1.305 3.591 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.853 0.367 6.973 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -11.416 0.894 5.384 1.00 0.00 H new ATOM 1136 N TYR A 73 -9.617 -3.424 2.652 1.00 0.00 N ATOM 1137 CA TYR A 73 -9.652 -4.870 2.721 1.00 0.00 C ATOM 1138 C TYR A 73 -8.336 -5.471 2.244 1.00 0.00 C ATOM 1139 O TYR A 73 -7.761 -6.300 2.936 1.00 0.00 O ATOM 1140 CB TYR A 73 -10.822 -5.424 1.901 1.00 0.00 C ATOM 1141 CG TYR A 73 -11.031 -6.921 2.034 1.00 0.00 C ATOM 1142 CD1 TYR A 73 -11.792 -7.436 3.069 1.00 0.00 C ATOM 1143 CD2 TYR A 73 -10.489 -7.816 1.115 1.00 0.00 C ATOM 1144 CE1 TYR A 73 -12.012 -8.790 3.186 1.00 0.00 C ATOM 1145 CE2 TYR A 73 -10.701 -9.174 1.232 1.00 0.00 C ATOM 1146 CZ TYR A 73 -11.463 -9.656 2.266 1.00 0.00 C ATOM 1147 OH TYR A 73 -11.701 -11.012 2.369 1.00 0.00 O ATOM 0 H TYR A 73 -10.306 -3.026 2.014 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.797 -5.152 3.764 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -11.736 -4.914 2.205 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -10.658 -5.185 0.850 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -12.221 -6.764 3.798 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.893 -7.440 0.297 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.614 -9.172 3.997 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.269 -9.855 0.513 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.878 -11.469 2.642 1.00 0.00 H new ATOM 1157 N LEU A 74 -7.859 -5.050 1.074 1.00 0.00 N ATOM 1158 CA LEU A 74 -6.596 -5.566 0.547 1.00 0.00 C ATOM 1159 C LEU A 74 -5.423 -5.234 1.442 1.00 0.00 C ATOM 1160 O LEU A 74 -4.572 -6.083 1.659 1.00 0.00 O ATOM 1161 CB LEU A 74 -6.303 -5.156 -0.912 1.00 0.00 C ATOM 1162 CG LEU A 74 -6.967 -5.982 -2.046 1.00 0.00 C ATOM 1163 CD1 LEU A 74 -6.624 -7.455 -1.932 1.00 0.00 C ATOM 1164 CD2 LEU A 74 -8.467 -5.789 -2.110 1.00 0.00 C ATOM 0 H LEU A 74 -8.320 -4.362 0.479 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.728 -6.648 0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.606 -4.116 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.224 -5.193 -1.059 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.555 -5.601 -2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.105 -8.004 -2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.544 -7.583 -1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.977 -7.838 -0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.877 -6.391 -2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.914 -6.100 -1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.691 -4.737 -2.289 1.00 0.00 H new ATOM 1176 N ILE A 75 -5.394 -4.016 1.981 1.00 0.00 N ATOM 1177 CA ILE A 75 -4.337 -3.608 2.911 1.00 0.00 C ATOM 1178 C ILE A 75 -4.308 -4.559 4.116 1.00 0.00 C ATOM 1179 O ILE A 75 -3.246 -5.032 4.536 1.00 0.00 O ATOM 1180 CB ILE A 75 -4.527 -2.129 3.398 1.00 0.00 C ATOM 1181 CG1 ILE A 75 -4.379 -1.154 2.214 1.00 0.00 C ATOM 1182 CG2 ILE A 75 -3.538 -1.774 4.518 1.00 0.00 C ATOM 1183 CD1 ILE A 75 -4.621 0.303 2.565 1.00 0.00 C ATOM 0 H ILE A 75 -6.089 -3.294 1.791 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.387 -3.660 2.379 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.533 -2.037 3.806 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.375 -1.253 1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.077 -1.446 1.429 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.698 -0.742 4.831 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.695 -2.439 5.367 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.518 -1.888 4.152 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.496 0.918 1.674 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.635 0.421 2.948 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.906 0.618 3.326 1.00 0.00 H new ATOM 1195 N GLN A 76 -5.481 -4.883 4.611 1.00 0.00 N ATOM 1196 CA GLN A 76 -5.612 -5.767 5.747 1.00 0.00 C ATOM 1197 C GLN A 76 -5.263 -7.197 5.376 1.00 0.00 C ATOM 1198 O GLN A 76 -4.421 -7.820 6.017 1.00 0.00 O ATOM 1199 CB GLN A 76 -7.029 -5.696 6.327 1.00 0.00 C ATOM 1200 CG GLN A 76 -7.094 -5.084 7.721 1.00 0.00 C ATOM 1201 CD GLN A 76 -6.535 -3.670 7.804 1.00 0.00 C ATOM 1202 OE1 GLN A 76 -5.995 -3.274 8.831 1.00 0.00 O ATOM 1203 NE2 GLN A 76 -6.693 -2.889 6.760 1.00 0.00 N ATOM 0 H GLN A 76 -6.368 -4.543 4.239 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.906 -5.435 6.509 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.658 -5.112 5.655 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.448 -6.702 6.362 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.132 -5.073 8.054 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.544 -5.722 8.413 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.146 -3.247 5.919 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.362 -1.925 6.790 1.00 0.00 H new ATOM 1212 N MET A 77 -5.870 -7.681 4.313 1.00 0.00 N ATOM 1213 CA MET A 77 -5.721 -9.062 3.875 1.00 0.00 C ATOM 1214 C MET A 77 -4.253 -9.359 3.503 1.00 0.00 C ATOM 1215 O MET A 77 -3.736 -10.453 3.766 1.00 0.00 O ATOM 1216 CB MET A 77 -6.637 -9.327 2.673 1.00 0.00 C ATOM 1217 CG MET A 77 -6.942 -10.804 2.387 1.00 0.00 C ATOM 1218 SD MET A 77 -8.365 -11.496 3.311 1.00 0.00 S ATOM 1219 CE MET A 77 -7.867 -11.349 5.035 1.00 0.00 C ATOM 0 H MET A 77 -6.487 -7.126 3.720 1.00 0.00 H new ATOM 0 HA MET A 77 -6.006 -9.722 4.694 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.580 -8.804 2.835 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.178 -8.890 1.786 1.00 0.00 H new ATOM 0 HG2 MET A 77 -7.130 -10.920 1.320 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.056 -11.394 2.620 1.00 0.00 H new ATOM 0 HE1 MET A 77 -8.505 -11.980 5.653 1.00 0.00 H new ATOM 0 HE2 MET A 77 -6.830 -11.666 5.142 1.00 0.00 H new ATOM 0 HE3 MET A 77 -7.964 -10.311 5.355 1.00 0.00 H new ATOM 1229 N ALA A 78 -3.583 -8.374 2.906 1.00 0.00 N ATOM 1230 CA ALA A 78 -2.183 -8.514 2.539 1.00 0.00 C ATOM 1231 C ALA A 78 -1.288 -8.490 3.767 1.00 0.00 C ATOM 1232 O ALA A 78 -0.342 -9.277 3.861 1.00 0.00 O ATOM 1233 CB ALA A 78 -1.766 -7.429 1.566 1.00 0.00 C ATOM 0 H ALA A 78 -3.992 -7.471 2.668 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.068 -9.481 2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.715 -7.556 1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.373 -7.497 0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.910 -6.452 2.027 1.00 0.00 H new ATOM 1353 N LYS A 86 -0.440 -11.850 -7.365 1.00 0.00 N ATOM 1354 CA LYS A 86 -1.427 -11.051 -8.051 1.00 0.00 C ATOM 1355 C LYS A 86 -2.853 -11.551 -7.876 1.00 0.00 C ATOM 1356 O LYS A 86 -3.180 -12.708 -8.192 1.00 0.00 O ATOM 1357 CB LYS A 86 -1.104 -11.009 -9.536 1.00 0.00 C ATOM 1358 CG LYS A 86 0.246 -10.415 -9.857 1.00 0.00 C ATOM 1359 CD LYS A 86 0.515 -10.445 -11.341 1.00 0.00 C ATOM 1360 CE LYS A 86 1.860 -9.836 -11.668 1.00 0.00 C ATOM 1361 NZ LYS A 86 2.155 -9.908 -13.110 1.00 0.00 N ATOM 0 HA LYS A 86 -1.379 -10.059 -7.602 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.147 -12.022 -9.935 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.874 -10.432 -10.048 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.289 -9.387 -9.497 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.024 -10.969 -9.332 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.483 -11.474 -11.698 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.270 -9.901 -11.866 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.876 -8.795 -11.345 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.640 -10.355 -11.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.085 -9.481 -13.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.164 -10.903 -13.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.425 -9.391 -13.640 1.00 0.00 H new ATOM 1375 N VAL A 87 -3.665 -10.698 -7.334 1.00 0.00 N ATOM 1376 CA VAL A 87 -5.086 -10.874 -7.289 1.00 0.00 C ATOM 1377 C VAL A 87 -5.602 -10.197 -8.537 1.00 0.00 C ATOM 1378 O VAL A 87 -5.356 -8.999 -8.748 1.00 0.00 O ATOM 1379 CB VAL A 87 -5.728 -10.191 -6.047 1.00 0.00 C ATOM 1380 CG1 VAL A 87 -7.236 -10.408 -6.017 1.00 0.00 C ATOM 1381 CG2 VAL A 87 -5.103 -10.696 -4.762 1.00 0.00 C ATOM 0 H VAL A 87 -3.349 -9.832 -6.897 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.335 -11.933 -7.227 1.00 0.00 H new ATOM 0 HB VAL A 87 -5.535 -9.121 -6.128 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.656 -9.919 -5.138 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.683 -9.984 -6.916 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -7.449 -11.476 -5.975 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.571 -10.201 -3.911 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.253 -11.773 -4.683 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.035 -10.477 -4.766 1.00 0.00 H new ATOM 1391 N SER A 88 -6.247 -10.942 -9.371 1.00 0.00 N ATOM 1392 CA SER A 88 -6.719 -10.431 -10.621 1.00 0.00 C ATOM 1393 C SER A 88 -8.061 -9.718 -10.442 1.00 0.00 C ATOM 1394 O SER A 88 -8.610 -9.685 -9.328 1.00 0.00 O ATOM 1395 CB SER A 88 -6.833 -11.591 -11.584 1.00 0.00 C ATOM 1396 OG SER A 88 -5.624 -12.325 -11.590 1.00 0.00 O ATOM 0 H SER A 88 -6.464 -11.925 -9.208 1.00 0.00 H new ATOM 0 HA SER A 88 -6.021 -9.693 -11.017 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.661 -12.238 -11.293 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.052 -11.224 -12.587 1.00 0.00 H new ATOM 0 HG SER A 88 -5.701 -13.077 -12.213 1.00 0.00 H new ATOM 1402 N GLU A 89 -8.596 -9.176 -11.531 1.00 0.00 N ATOM 1403 CA GLU A 89 -9.861 -8.458 -11.508 1.00 0.00 C ATOM 1404 C GLU A 89 -10.977 -9.339 -10.975 1.00 0.00 C ATOM 1405 O GLU A 89 -11.784 -8.896 -10.182 1.00 0.00 O ATOM 1406 CB GLU A 89 -10.212 -7.933 -12.895 1.00 0.00 C ATOM 1407 CG GLU A 89 -9.211 -6.945 -13.437 1.00 0.00 C ATOM 1408 CD GLU A 89 -9.616 -6.384 -14.767 1.00 0.00 C ATOM 1409 OE1 GLU A 89 -9.300 -6.992 -15.810 1.00 0.00 O ATOM 1410 OE2 GLU A 89 -10.229 -5.316 -14.802 1.00 0.00 O ATOM 0 H GLU A 89 -8.163 -9.223 -12.453 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.749 -7.607 -10.837 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.289 -8.774 -13.584 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.193 -7.460 -12.858 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.089 -6.129 -12.725 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.241 -7.432 -13.533 1.00 0.00 H new ATOM 1417 N GLN A 90 -10.964 -10.601 -11.381 1.00 0.00 N ATOM 1418 CA GLN A 90 -11.948 -11.600 -10.949 1.00 0.00 C ATOM 1419 C GLN A 90 -11.952 -11.737 -9.411 1.00 0.00 C ATOM 1420 O GLN A 90 -13.007 -11.958 -8.789 1.00 0.00 O ATOM 1421 CB GLN A 90 -11.592 -12.940 -11.578 1.00 0.00 C ATOM 1422 CG GLN A 90 -12.588 -14.048 -11.323 1.00 0.00 C ATOM 1423 CD GLN A 90 -12.070 -15.392 -11.755 1.00 0.00 C ATOM 1424 OE1 GLN A 90 -11.256 -15.494 -12.671 1.00 0.00 O ATOM 1425 NE2 GLN A 90 -12.542 -16.429 -11.129 1.00 0.00 N ATOM 0 H GLN A 90 -10.265 -10.970 -12.026 1.00 0.00 H new ATOM 0 HA GLN A 90 -12.941 -11.283 -11.267 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -11.490 -12.804 -12.655 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -10.618 -13.254 -11.203 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -12.830 -14.079 -10.261 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -13.514 -13.830 -11.855 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -13.216 -16.305 -10.374 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -12.238 -17.366 -11.393 1.00 0.00 H new ATOM 1434 N GLY A 91 -10.785 -11.590 -8.812 1.00 0.00 N ATOM 1435 CA GLY A 91 -10.672 -11.677 -7.382 1.00 0.00 C ATOM 1436 C GLY A 91 -11.192 -10.431 -6.727 1.00 0.00 C ATOM 1437 O GLY A 91 -11.973 -10.496 -5.775 1.00 0.00 O ATOM 0 H GLY A 91 -9.907 -11.410 -9.299 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.229 -12.542 -7.021 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.629 -11.831 -7.104 1.00 0.00 H new ATOM 1441 N LEU A 92 -10.798 -9.286 -7.277 1.00 0.00 N ATOM 1442 CA LEU A 92 -11.214 -7.991 -6.759 1.00 0.00 C ATOM 1443 C LEU A 92 -12.734 -7.843 -6.842 1.00 0.00 C ATOM 1444 O LEU A 92 -13.357 -7.306 -5.938 1.00 0.00 O ATOM 1445 CB LEU A 92 -10.523 -6.847 -7.517 1.00 0.00 C ATOM 1446 CG LEU A 92 -10.843 -5.425 -7.024 1.00 0.00 C ATOM 1447 CD1 LEU A 92 -10.355 -5.216 -5.598 1.00 0.00 C ATOM 1448 CD2 LEU A 92 -10.247 -4.387 -7.955 1.00 0.00 C ATOM 0 H LEU A 92 -10.185 -9.232 -8.090 1.00 0.00 H new ATOM 0 HA LEU A 92 -10.915 -7.935 -5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.445 -6.997 -7.458 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.798 -6.916 -8.570 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.926 -5.305 -7.027 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.595 -4.203 -5.276 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.844 -5.932 -4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.276 -5.364 -5.557 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.485 -3.389 -7.587 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.165 -4.511 -7.993 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.662 -4.514 -8.955 1.00 0.00 H new ATOM 1460 N ILE A 93 -13.317 -8.350 -7.918 1.00 0.00 N ATOM 1461 CA ILE A 93 -14.762 -8.319 -8.110 1.00 0.00 C ATOM 1462 C ILE A 93 -15.480 -9.123 -7.012 1.00 0.00 C ATOM 1463 O ILE A 93 -16.535 -8.715 -6.528 1.00 0.00 O ATOM 1464 CB ILE A 93 -15.161 -8.810 -9.542 1.00 0.00 C ATOM 1465 CG1 ILE A 93 -14.619 -7.818 -10.588 1.00 0.00 C ATOM 1466 CG2 ILE A 93 -16.683 -8.962 -9.685 1.00 0.00 C ATOM 1467 CD1 ILE A 93 -14.816 -8.249 -12.025 1.00 0.00 C ATOM 0 H ILE A 93 -12.805 -8.793 -8.681 1.00 0.00 H new ATOM 0 HA ILE A 93 -15.088 -7.282 -8.026 1.00 0.00 H new ATOM 0 HB ILE A 93 -14.721 -9.794 -9.705 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -15.106 -6.854 -10.442 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -13.554 -7.668 -10.410 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -16.921 -9.304 -10.692 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -17.046 -9.690 -8.959 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -17.163 -8.000 -9.506 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -14.405 -7.491 -12.692 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -14.305 -9.197 -12.194 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -15.880 -8.370 -12.226 1.00 0.00 H new ATOM 1479 N GLU A 94 -14.882 -10.226 -6.576 1.00 0.00 N ATOM 1480 CA GLU A 94 -15.470 -11.004 -5.499 1.00 0.00 C ATOM 1481 C GLU A 94 -15.389 -10.223 -4.197 1.00 0.00 C ATOM 1482 O GLU A 94 -16.344 -10.180 -3.426 1.00 0.00 O ATOM 1483 CB GLU A 94 -14.816 -12.378 -5.348 1.00 0.00 C ATOM 1484 CG GLU A 94 -15.442 -13.204 -4.235 1.00 0.00 C ATOM 1485 CD GLU A 94 -14.928 -14.604 -4.169 1.00 0.00 C ATOM 1486 OE1 GLU A 94 -15.517 -15.484 -4.838 1.00 0.00 O ATOM 1487 OE2 GLU A 94 -13.960 -14.870 -3.423 1.00 0.00 O ATOM 0 H GLU A 94 -14.006 -10.595 -6.946 1.00 0.00 H new ATOM 0 HA GLU A 94 -16.515 -11.182 -5.751 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -14.899 -12.921 -6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -13.752 -12.250 -5.146 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -15.256 -12.712 -3.280 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -16.523 -13.229 -4.376 1.00 0.00 H new ATOM 1494 N ILE A 95 -14.257 -9.582 -3.980 1.00 0.00 N ATOM 1495 CA ILE A 95 -14.055 -8.752 -2.801 1.00 0.00 C ATOM 1496 C ILE A 95 -15.048 -7.581 -2.817 1.00 0.00 C ATOM 1497 O ILE A 95 -15.606 -7.197 -1.778 1.00 0.00 O ATOM 1498 CB ILE A 95 -12.589 -8.240 -2.719 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -11.632 -9.442 -2.618 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -12.415 -7.302 -1.532 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -10.161 -9.082 -2.658 1.00 0.00 C ATOM 0 H ILE A 95 -13.455 -9.619 -4.609 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.237 -9.356 -1.912 1.00 0.00 H new ATOM 0 HB ILE A 95 -12.353 -7.677 -3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.837 -9.976 -1.690 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.847 -10.130 -3.436 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.383 -6.954 -1.491 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -13.082 -6.447 -1.643 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -12.656 -7.832 -0.611 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -9.562 -9.989 -2.581 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -9.935 -8.577 -3.597 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -9.926 -8.420 -1.825 1.00 0.00 H new ATOM 1513 N LEU A 96 -15.294 -7.065 -4.008 1.00 0.00 N ATOM 1514 CA LEU A 96 -16.250 -6.003 -4.224 1.00 0.00 C ATOM 1515 C LEU A 96 -17.645 -6.446 -3.788 1.00 0.00 C ATOM 1516 O LEU A 96 -18.377 -5.682 -3.151 1.00 0.00 O ATOM 1517 CB LEU A 96 -16.272 -5.596 -5.697 1.00 0.00 C ATOM 1518 CG LEU A 96 -17.206 -4.449 -6.055 1.00 0.00 C ATOM 1519 CD1 LEU A 96 -16.740 -3.153 -5.404 1.00 0.00 C ATOM 1520 CD2 LEU A 96 -17.315 -4.306 -7.563 1.00 0.00 C ATOM 0 H LEU A 96 -14.828 -7.378 -4.860 1.00 0.00 H new ATOM 0 HA LEU A 96 -15.948 -5.144 -3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -15.260 -5.321 -5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -16.552 -6.466 -6.290 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.200 -4.673 -5.668 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.421 -2.346 -5.672 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -16.729 -3.273 -4.321 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.736 -2.911 -5.752 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -17.986 -3.482 -7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -16.329 -4.104 -7.982 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.708 -5.229 -7.989 1.00 0.00 H new ATOM 1532 N LYS A 97 -17.997 -7.686 -4.110 1.00 0.00 N ATOM 1533 CA LYS A 97 -19.285 -8.252 -3.725 1.00 0.00 C ATOM 1534 C LYS A 97 -19.429 -8.227 -2.216 1.00 0.00 C ATOM 1535 O LYS A 97 -20.444 -7.768 -1.688 1.00 0.00 O ATOM 1536 CB LYS A 97 -19.414 -9.702 -4.193 1.00 0.00 C ATOM 1537 CG LYS A 97 -19.316 -9.914 -5.687 1.00 0.00 C ATOM 1538 CD LYS A 97 -19.445 -11.384 -6.022 1.00 0.00 C ATOM 1539 CE LYS A 97 -19.368 -11.627 -7.510 1.00 0.00 C ATOM 1540 NZ LYS A 97 -19.632 -13.039 -7.843 1.00 0.00 N ATOM 0 H LYS A 97 -17.403 -8.323 -4.641 1.00 0.00 H new ATOM 0 HA LYS A 97 -20.063 -7.651 -4.195 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -18.637 -10.293 -3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -20.372 -10.092 -3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -20.099 -9.349 -6.193 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -18.362 -9.534 -6.053 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -18.654 -11.942 -5.521 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -20.393 -11.762 -5.640 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -20.090 -10.991 -8.021 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -18.380 -11.345 -7.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -19.571 -13.170 -8.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -18.927 -13.644 -7.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -20.584 -13.300 -7.517 1.00 0.00 H new ATOM 1554 N LYS A 98 -18.384 -8.675 -1.549 1.00 0.00 N ATOM 1555 CA LYS A 98 -18.337 -8.785 -0.098 1.00 0.00 C ATOM 1556 C LYS A 98 -18.516 -7.426 0.577 1.00 0.00 C ATOM 1557 O LYS A 98 -19.294 -7.297 1.528 1.00 0.00 O ATOM 1558 CB LYS A 98 -17.011 -9.431 0.325 1.00 0.00 C ATOM 1559 CG LYS A 98 -16.780 -10.788 -0.331 1.00 0.00 C ATOM 1560 CD LYS A 98 -15.417 -11.388 -0.005 1.00 0.00 C ATOM 1561 CE LYS A 98 -15.285 -11.739 1.460 1.00 0.00 C ATOM 1562 NZ LYS A 98 -14.026 -12.463 1.752 1.00 0.00 N ATOM 0 H LYS A 98 -17.525 -8.980 -2.006 1.00 0.00 H new ATOM 0 HA LYS A 98 -19.165 -9.415 0.226 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -16.188 -8.763 0.068 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -16.999 -9.549 1.408 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.560 -11.478 -0.009 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.874 -10.683 -1.412 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -15.262 -12.283 -0.607 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.635 -10.680 -0.280 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -15.324 -10.827 2.055 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.133 -12.353 1.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -14.168 -13.090 2.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -13.751 -13.030 0.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.274 -11.778 1.968 1.00 0.00 H new ATOM 1576 N VAL A 99 -17.842 -6.411 0.062 1.00 0.00 N ATOM 1577 CA VAL A 99 -17.930 -5.076 0.658 1.00 0.00 C ATOM 1578 C VAL A 99 -19.229 -4.352 0.277 1.00 0.00 C ATOM 1579 O VAL A 99 -19.660 -3.434 0.971 1.00 0.00 O ATOM 1580 CB VAL A 99 -16.700 -4.183 0.350 1.00 0.00 C ATOM 1581 CG1 VAL A 99 -15.425 -4.829 0.867 1.00 0.00 C ATOM 1582 CG2 VAL A 99 -16.587 -3.879 -1.132 1.00 0.00 C ATOM 0 H VAL A 99 -17.235 -6.477 -0.755 1.00 0.00 H new ATOM 0 HA VAL A 99 -17.939 -5.247 1.734 1.00 0.00 H new ATOM 0 HB VAL A 99 -16.842 -3.235 0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.574 -4.187 0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -15.499 -4.967 1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -15.287 -5.797 0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -15.714 -3.251 -1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -16.483 -4.811 -1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -17.483 -3.356 -1.466 1.00 0.00 H new ATOM 1592 N SER A 100 -19.841 -4.745 -0.823 1.00 0.00 N ATOM 1593 CA SER A 100 -21.112 -4.180 -1.199 1.00 0.00 C ATOM 1594 C SER A 100 -22.208 -4.821 -0.341 1.00 0.00 C ATOM 1595 O SER A 100 -23.211 -4.185 0.016 1.00 0.00 O ATOM 1596 CB SER A 100 -21.367 -4.431 -2.683 1.00 0.00 C ATOM 1597 OG SER A 100 -20.315 -3.902 -3.484 1.00 0.00 O ATOM 0 H SER A 100 -19.478 -5.449 -1.465 1.00 0.00 H new ATOM 0 HA SER A 100 -21.112 -3.103 -1.032 1.00 0.00 H new ATOM 0 HB2 SER A 100 -21.461 -5.502 -2.862 1.00 0.00 H new ATOM 0 HB3 SER A 100 -22.313 -3.975 -2.974 1.00 0.00 H new ATOM 0 HG SER A 100 -19.611 -4.576 -3.587 1.00 0.00 H new