USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 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 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0427 K(o=-0.043,f=-0.85) USER MOD Single : A 19 ASN : amide:sc= -2.87! K(o=-2.9!,f=-3.7) USER MOD Single : A 22 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.24) USER MOD Single : A 30 GLN : amide:sc= -4.67! K(o=-4.7!,f=-1.9) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0344 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= -0.758 USER MOD Single : A 51 GLN : amide:sc= 0.0545 X(o=0.055,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.604 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -40:sc= -1.04 USER MOD Single : A 58 SER OG : rot -39:sc= 1.29 USER MOD Single : A 62 SER OG : rot 93:sc= 1.23 USER MOD Single : A 63 TYR OH : rot 176:sc= 1.16 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 155:sc= -1.03 (180deg=-2.84!) USER MOD ----------------------------------------------------------------- ATOM 87 N LEU A 10 1.637 -12.703 -4.541 1.00 0.00 N ATOM 88 CA LEU A 10 2.583 -11.895 -5.303 1.00 0.00 C ATOM 89 C LEU A 10 4.020 -12.225 -4.912 1.00 0.00 C ATOM 90 O LEU A 10 4.342 -12.335 -3.729 1.00 0.00 O ATOM 91 CB LEU A 10 2.310 -10.407 -5.078 1.00 0.00 C ATOM 92 CG LEU A 10 1.244 -9.777 -5.975 1.00 0.00 C ATOM 93 CD1 LEU A 10 0.656 -8.539 -5.316 1.00 0.00 C ATOM 94 CD2 LEU A 10 1.828 -9.432 -7.337 1.00 0.00 C ATOM 0 HA LEU A 10 2.452 -12.126 -6.360 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.012 -10.266 -4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.243 -9.862 -5.219 1.00 0.00 H new ATOM 0 HG LEU A 10 0.443 -10.502 -6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.101 -8.104 -5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.200 -8.815 -4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.447 -7.810 -5.141 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.055 -8.985 -7.962 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.648 -8.725 -7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.200 -10.339 -7.814 1.00 0.00 H new ATOM 106 N SER A 11 4.880 -12.381 -5.914 1.00 0.00 N ATOM 107 CA SER A 11 6.282 -12.700 -5.675 1.00 0.00 C ATOM 108 C SER A 11 6.798 -11.984 -4.430 1.00 0.00 C ATOM 109 O SER A 11 7.673 -12.490 -3.727 1.00 0.00 O ATOM 110 CB SER A 11 7.129 -12.311 -6.888 1.00 0.00 C ATOM 111 OG SER A 11 8.498 -12.607 -6.671 1.00 0.00 O ATOM 0 H SER A 11 4.630 -12.292 -6.899 1.00 0.00 H new ATOM 0 HA SER A 11 6.362 -13.775 -5.514 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.774 -12.845 -7.770 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.012 -11.247 -7.091 1.00 0.00 H new ATOM 0 HG SER A 11 9.017 -12.350 -7.461 1.00 0.00 H new ATOM 117 N LEU A 12 6.250 -10.803 -4.165 1.00 0.00 N ATOM 118 CA LEU A 12 6.653 -10.016 -3.005 1.00 0.00 C ATOM 119 C LEU A 12 6.721 -10.885 -1.754 1.00 0.00 C ATOM 120 O LEU A 12 6.084 -11.935 -1.679 1.00 0.00 O ATOM 121 CB LEU A 12 5.676 -8.860 -2.784 1.00 0.00 C ATOM 122 CG LEU A 12 5.489 -7.904 -3.963 1.00 0.00 C ATOM 123 CD1 LEU A 12 4.090 -7.308 -3.951 1.00 0.00 C ATOM 124 CD2 LEU A 12 6.540 -6.803 -3.929 1.00 0.00 C ATOM 0 H LEU A 12 5.526 -10.370 -4.738 1.00 0.00 H new ATOM 0 HA LEU A 12 7.647 -9.612 -3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.704 -9.278 -2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.016 -8.283 -1.924 1.00 0.00 H new ATOM 0 HG LEU A 12 5.613 -8.469 -4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.976 -6.630 -4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.353 -8.108 -4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.937 -6.758 -3.023 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.392 -6.132 -4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.448 -6.241 -3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.534 -7.247 -3.988 1.00 0.00 H new ATOM 136 N GLY A 13 7.498 -10.439 -0.771 1.00 0.00 N ATOM 137 CA GLY A 13 7.634 -11.187 0.465 1.00 0.00 C ATOM 138 C GLY A 13 6.754 -10.643 1.572 1.00 0.00 C ATOM 139 O GLY A 13 5.727 -10.017 1.307 1.00 0.00 O ATOM 0 H GLY A 13 8.036 -9.573 -0.809 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.380 -12.231 0.284 1.00 0.00 H new ATOM 0 HA3 GLY A 13 8.675 -11.163 0.788 1.00 0.00 H new ATOM 143 N ASP A 14 7.155 -10.881 2.816 1.00 0.00 N ATOM 144 CA ASP A 14 6.394 -10.410 3.968 1.00 0.00 C ATOM 145 C ASP A 14 6.752 -8.966 4.302 1.00 0.00 C ATOM 146 O ASP A 14 5.916 -8.203 4.788 1.00 0.00 O ATOM 147 CB ASP A 14 6.656 -11.307 5.179 1.00 0.00 C ATOM 148 CG ASP A 14 6.610 -12.781 4.829 1.00 0.00 C ATOM 149 OD1 ASP A 14 5.852 -13.148 3.907 1.00 0.00 O ATOM 150 OD2 ASP A 14 7.332 -13.568 5.477 1.00 0.00 O ATOM 0 H ASP A 14 8.002 -11.397 3.053 1.00 0.00 H new ATOM 0 HA ASP A 14 5.335 -10.453 3.716 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.632 -11.067 5.601 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.915 -11.097 5.950 1.00 0.00 H new ATOM 155 N THR A 15 8.001 -8.595 4.039 1.00 0.00 N ATOM 156 CA THR A 15 8.471 -7.243 4.313 1.00 0.00 C ATOM 157 C THR A 15 7.942 -6.256 3.278 1.00 0.00 C ATOM 158 O THR A 15 7.493 -5.163 3.622 1.00 0.00 O ATOM 159 CB THR A 15 10.010 -7.175 4.330 1.00 0.00 C ATOM 160 OG1 THR A 15 10.540 -8.272 5.083 1.00 0.00 O ATOM 161 CG2 THR A 15 10.487 -5.863 4.933 1.00 0.00 C ATOM 0 H THR A 15 8.706 -9.213 3.636 1.00 0.00 H new ATOM 0 HA THR A 15 8.092 -6.971 5.298 1.00 0.00 H new ATOM 0 HB THR A 15 10.366 -7.234 3.301 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.519 -8.223 5.088 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.577 -5.838 4.934 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.106 -5.031 4.341 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.121 -5.778 5.956 1.00 0.00 H new ATOM 169 N ALA A 16 7.998 -6.649 2.010 1.00 0.00 N ATOM 170 CA ALA A 16 7.522 -5.800 0.925 1.00 0.00 C ATOM 171 C ALA A 16 6.126 -5.262 1.221 1.00 0.00 C ATOM 172 O ALA A 16 5.810 -4.116 0.899 1.00 0.00 O ATOM 173 CB ALA A 16 7.526 -6.570 -0.388 1.00 0.00 C ATOM 0 H ALA A 16 8.368 -7.550 1.709 1.00 0.00 H new ATOM 0 HA ALA A 16 8.199 -4.950 0.837 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.168 -5.924 -1.190 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.540 -6.900 -0.613 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.872 -7.438 -0.303 1.00 0.00 H new ATOM 179 N LEU A 17 5.294 -6.096 1.836 1.00 0.00 N ATOM 180 CA LEU A 17 3.931 -5.703 2.175 1.00 0.00 C ATOM 181 C LEU A 17 3.922 -4.709 3.332 1.00 0.00 C ATOM 182 O LEU A 17 3.297 -3.652 3.249 1.00 0.00 O ATOM 183 CB LEU A 17 3.101 -6.935 2.541 1.00 0.00 C ATOM 184 CG LEU A 17 2.346 -7.601 1.390 1.00 0.00 C ATOM 185 CD1 LEU A 17 1.261 -6.678 0.859 1.00 0.00 C ATOM 186 CD2 LEU A 17 3.307 -7.994 0.278 1.00 0.00 C ATOM 0 H LEU A 17 5.539 -7.047 2.110 1.00 0.00 H new ATOM 0 HA LEU A 17 3.491 -5.221 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.764 -7.674 2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.379 -6.648 3.305 1.00 0.00 H new ATOM 0 HG LEU A 17 1.871 -8.506 1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.734 -7.169 0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.556 -6.448 1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.714 -5.755 0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.752 -8.466 -0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.812 -7.104 -0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.047 -8.693 0.667 1.00 0.00 H new ATOM 198 N GLN A 18 4.622 -5.054 4.408 1.00 0.00 N ATOM 199 CA GLN A 18 4.695 -4.191 5.580 1.00 0.00 C ATOM 200 C GLN A 18 5.341 -2.854 5.232 1.00 0.00 C ATOM 201 O GLN A 18 5.098 -1.845 5.893 1.00 0.00 O ATOM 202 CB GLN A 18 5.485 -4.877 6.697 1.00 0.00 C ATOM 203 CG GLN A 18 4.782 -6.091 7.282 1.00 0.00 C ATOM 204 CD GLN A 18 5.307 -6.464 8.654 1.00 0.00 C ATOM 205 OE1 GLN A 18 5.595 -5.596 9.478 1.00 0.00 O ATOM 206 NE2 GLN A 18 5.433 -7.762 8.907 1.00 0.00 N ATOM 0 H GLN A 18 5.146 -5.925 4.492 1.00 0.00 H new ATOM 0 HA GLN A 18 3.678 -4.004 5.926 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.457 -5.182 6.309 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.672 -4.157 7.494 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.713 -5.890 7.349 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.906 -6.938 6.607 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.182 -8.447 8.194 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.780 -8.073 9.814 1.00 0.00 H new ATOM 215 N ASN A 19 6.167 -2.855 4.190 1.00 0.00 N ATOM 216 CA ASN A 19 6.849 -1.642 3.755 1.00 0.00 C ATOM 217 C ASN A 19 5.928 -0.777 2.899 1.00 0.00 C ATOM 218 O ASN A 19 5.693 0.392 3.208 1.00 0.00 O ATOM 219 CB ASN A 19 8.111 -1.996 2.966 1.00 0.00 C ATOM 220 CG ASN A 19 9.131 -2.737 3.810 1.00 0.00 C ATOM 221 OD1 ASN A 19 8.913 -2.978 4.997 1.00 0.00 O ATOM 222 ND2 ASN A 19 10.251 -3.104 3.198 1.00 0.00 N ATOM 0 H ASN A 19 6.380 -3.682 3.632 1.00 0.00 H new ATOM 0 HA ASN A 19 7.130 -1.076 4.643 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.839 -2.610 2.107 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.561 -1.083 2.576 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.973 -3.607 3.714 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.389 -2.883 2.212 1.00 0.00 H new ATOM 229 N LEU A 20 5.409 -1.359 1.825 1.00 0.00 N ATOM 230 CA LEU A 20 4.512 -0.643 0.924 1.00 0.00 C ATOM 231 C LEU A 20 3.238 -0.218 1.648 1.00 0.00 C ATOM 232 O LEU A 20 2.790 0.921 1.518 1.00 0.00 O ATOM 233 CB LEU A 20 4.160 -1.518 -0.280 1.00 0.00 C ATOM 234 CG LEU A 20 3.804 -0.776 -1.569 1.00 0.00 C ATOM 235 CD1 LEU A 20 2.516 0.013 -1.392 1.00 0.00 C ATOM 236 CD2 LEU A 20 4.942 0.145 -1.985 1.00 0.00 C ATOM 0 H LEU A 20 5.593 -2.325 1.556 1.00 0.00 H new ATOM 0 HA LEU A 20 5.026 0.253 0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.005 -2.176 -0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.319 -2.155 -0.007 1.00 0.00 H new ATOM 0 HG LEU A 20 3.650 -1.511 -2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.278 0.534 -2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.703 -0.669 -1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.642 0.739 -0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.672 0.665 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.127 0.874 -1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.844 -0.444 -2.153 1.00 0.00 H new ATOM 248 N GLU A 21 2.662 -1.141 2.411 1.00 0.00 N ATOM 249 CA GLU A 21 1.440 -0.861 3.157 1.00 0.00 C ATOM 250 C GLU A 21 1.525 0.497 3.849 1.00 0.00 C ATOM 251 O GLU A 21 0.513 1.171 4.041 1.00 0.00 O ATOM 252 CB GLU A 21 1.185 -1.958 4.192 1.00 0.00 C ATOM 253 CG GLU A 21 0.459 -3.169 3.629 1.00 0.00 C ATOM 254 CD GLU A 21 0.144 -4.205 4.690 1.00 0.00 C ATOM 255 OE1 GLU A 21 -0.112 -3.812 5.847 1.00 0.00 O ATOM 256 OE2 GLU A 21 0.152 -5.410 4.361 1.00 0.00 O ATOM 0 H GLU A 21 3.021 -2.088 2.529 1.00 0.00 H new ATOM 0 HA GLU A 21 0.610 -0.839 2.451 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.139 -2.279 4.611 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.600 -1.543 5.012 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.468 -2.845 3.156 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.071 -3.626 2.851 1.00 0.00 H new ATOM 263 N GLN A 22 2.739 0.889 4.222 1.00 0.00 N ATOM 264 CA GLN A 22 2.955 2.165 4.894 1.00 0.00 C ATOM 265 C GLN A 22 3.277 3.264 3.887 1.00 0.00 C ATOM 266 O GLN A 22 2.751 4.374 3.973 1.00 0.00 O ATOM 267 CB GLN A 22 4.090 2.043 5.913 1.00 0.00 C ATOM 268 CG GLN A 22 3.774 1.104 7.066 1.00 0.00 C ATOM 269 CD GLN A 22 2.444 1.416 7.724 1.00 0.00 C ATOM 270 OE1 GLN A 22 1.424 0.800 7.412 1.00 0.00 O ATOM 271 NE2 GLN A 22 2.447 2.376 8.642 1.00 0.00 N ATOM 0 H GLN A 22 3.587 0.342 4.071 1.00 0.00 H new ATOM 0 HA GLN A 22 2.035 2.433 5.414 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.988 1.691 5.404 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.317 3.032 6.312 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.762 0.077 6.701 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.568 1.169 7.810 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.315 2.861 8.870 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.581 2.628 9.119 1.00 0.00 H new ATOM 280 N LEU A 23 4.145 2.948 2.932 1.00 0.00 N ATOM 281 CA LEU A 23 4.538 3.908 1.907 1.00 0.00 C ATOM 282 C LEU A 23 3.333 4.705 1.417 1.00 0.00 C ATOM 283 O LEU A 23 3.465 5.855 0.996 1.00 0.00 O ATOM 284 CB LEU A 23 5.199 3.187 0.730 1.00 0.00 C ATOM 285 CG LEU A 23 6.710 2.979 0.834 1.00 0.00 C ATOM 286 CD1 LEU A 23 7.205 2.091 -0.297 1.00 0.00 C ATOM 287 CD2 LEU A 23 7.435 4.317 0.822 1.00 0.00 C ATOM 0 H LEU A 23 4.590 2.034 2.846 1.00 0.00 H new ATOM 0 HA LEU A 23 5.254 4.601 2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.725 2.212 0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.992 3.752 -0.179 1.00 0.00 H new ATOM 0 HG LEU A 23 6.925 2.481 1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.283 1.954 -0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.710 1.121 -0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.978 2.560 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.509 4.149 0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.214 4.842 -0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.102 4.919 1.668 1.00 0.00 H new ATOM 299 N LEU A 24 2.158 4.088 1.477 1.00 0.00 N ATOM 300 CA LEU A 24 0.928 4.741 1.042 1.00 0.00 C ATOM 301 C LEU A 24 0.164 5.313 2.232 1.00 0.00 C ATOM 302 O LEU A 24 -0.548 6.309 2.105 1.00 0.00 O ATOM 303 CB LEU A 24 0.043 3.751 0.282 1.00 0.00 C ATOM 304 CG LEU A 24 0.501 3.390 -1.132 1.00 0.00 C ATOM 305 CD1 LEU A 24 -0.239 2.160 -1.634 1.00 0.00 C ATOM 306 CD2 LEU A 24 0.292 4.564 -2.076 1.00 0.00 C ATOM 0 H LEU A 24 2.031 3.137 1.822 1.00 0.00 H new ATOM 0 HA LEU A 24 1.198 5.562 0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.025 2.833 0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.963 4.166 0.222 1.00 0.00 H new ATOM 0 HG LEU A 24 1.566 3.160 -1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.099 1.918 -2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.037 1.318 -0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.310 2.361 -1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.623 4.289 -3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.766 4.825 -2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.869 5.420 -1.725 1.00 0.00 H new ATOM 318 N ASP A 25 0.320 4.678 3.388 1.00 0.00 N ATOM 319 CA ASP A 25 -0.352 5.125 4.603 1.00 0.00 C ATOM 320 C ASP A 25 0.559 6.029 5.427 1.00 0.00 C ATOM 321 O ASP A 25 1.484 5.558 6.088 1.00 0.00 O ATOM 322 CB ASP A 25 -0.792 3.923 5.440 1.00 0.00 C ATOM 323 CG ASP A 25 -1.043 4.288 6.890 1.00 0.00 C ATOM 324 OD1 ASP A 25 -2.019 5.021 7.157 1.00 0.00 O ATOM 325 OD2 ASP A 25 -0.266 3.841 7.758 1.00 0.00 O ATOM 0 H ASP A 25 0.906 3.852 3.510 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.233 5.697 4.312 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.701 3.499 5.012 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.026 3.149 5.390 1.00 0.00 H new ATOM 330 N GLY A 26 0.292 7.331 5.381 1.00 0.00 N ATOM 331 CA GLY A 26 1.098 8.280 6.126 1.00 0.00 C ATOM 332 C GLY A 26 1.161 9.638 5.457 1.00 0.00 C ATOM 333 O GLY A 26 0.791 9.799 4.294 1.00 0.00 O ATOM 0 H GLY A 26 -0.468 7.745 4.841 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.687 8.392 7.130 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.108 7.886 6.237 1.00 0.00 H new ATOM 337 N PRO A 27 1.638 10.647 6.201 1.00 0.00 N ATOM 338 CA PRO A 27 1.758 12.017 5.693 1.00 0.00 C ATOM 339 C PRO A 27 2.850 12.150 4.637 1.00 0.00 C ATOM 340 O PRO A 27 2.654 12.795 3.607 1.00 0.00 O ATOM 341 CB PRO A 27 2.120 12.828 6.941 1.00 0.00 C ATOM 342 CG PRO A 27 2.772 11.847 7.853 1.00 0.00 C ATOM 343 CD PRO A 27 2.097 10.528 7.595 1.00 0.00 C ATOM 0 HA PRO A 27 0.844 12.351 5.201 1.00 0.00 H new ATOM 0 HB2 PRO A 27 2.793 13.650 6.698 1.00 0.00 H new ATOM 0 HB3 PRO A 27 1.234 13.266 7.399 1.00 0.00 H new ATOM 0 HG2 PRO A 27 3.842 11.783 7.656 1.00 0.00 H new ATOM 0 HG3 PRO A 27 2.657 12.147 8.895 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.786 9.693 7.721 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.265 10.362 8.279 1.00 0.00 H new ATOM 351 N GLU A 28 3.999 11.536 4.900 1.00 0.00 N ATOM 352 CA GLU A 28 5.122 11.587 3.970 1.00 0.00 C ATOM 353 C GLU A 28 4.734 11.002 2.615 1.00 0.00 C ATOM 354 O GLU A 28 5.183 11.474 1.572 1.00 0.00 O ATOM 355 CB GLU A 28 6.321 10.827 4.542 1.00 0.00 C ATOM 356 CG GLU A 28 7.658 11.307 4.003 1.00 0.00 C ATOM 357 CD GLU A 28 8.142 12.572 4.685 1.00 0.00 C ATOM 358 OE1 GLU A 28 8.553 12.490 5.862 1.00 0.00 O ATOM 359 OE2 GLU A 28 8.110 13.642 4.043 1.00 0.00 O ATOM 0 H GLU A 28 4.177 10.998 5.748 1.00 0.00 H new ATOM 0 HA GLU A 28 5.397 12.632 3.829 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.319 10.926 5.627 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.208 9.766 4.319 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.402 10.521 4.134 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.570 11.487 2.932 1.00 0.00 H new ATOM 366 N ALA A 29 3.895 9.971 2.641 1.00 0.00 N ATOM 367 CA ALA A 29 3.445 9.322 1.416 1.00 0.00 C ATOM 368 C ALA A 29 3.315 10.329 0.278 1.00 0.00 C ATOM 369 O ALA A 29 2.471 11.223 0.322 1.00 0.00 O ATOM 370 CB ALA A 29 2.119 8.614 1.651 1.00 0.00 C ATOM 0 H ALA A 29 3.514 9.568 3.497 1.00 0.00 H new ATOM 0 HA ALA A 29 4.193 8.583 1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.794 8.134 0.728 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.242 7.860 2.429 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.369 9.340 1.965 1.00 0.00 H new ATOM 376 N GLN A 30 4.156 10.176 -0.740 1.00 0.00 N ATOM 377 CA GLN A 30 4.135 11.073 -1.889 1.00 0.00 C ATOM 378 C GLN A 30 3.056 10.657 -2.885 1.00 0.00 C ATOM 379 O GLN A 30 3.253 10.736 -4.097 1.00 0.00 O ATOM 380 CB GLN A 30 5.501 11.088 -2.577 1.00 0.00 C ATOM 381 CG GLN A 30 5.731 12.313 -3.447 1.00 0.00 C ATOM 382 CD GLN A 30 6.920 12.156 -4.375 1.00 0.00 C ATOM 383 OE1 GLN A 30 8.022 12.612 -4.072 1.00 0.00 O ATOM 384 NE2 GLN A 30 6.701 11.506 -5.512 1.00 0.00 N ATOM 0 H GLN A 30 4.860 9.440 -0.792 1.00 0.00 H new ATOM 0 HA GLN A 30 3.906 12.076 -1.530 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.281 11.040 -1.818 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.599 10.193 -3.191 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.836 12.507 -4.039 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.886 13.183 -2.809 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.770 11.145 -5.722 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.463 11.368 -6.175 1.00 0.00 H new ATOM 393 N GLY A 31 1.916 10.214 -2.364 1.00 0.00 N ATOM 394 CA GLY A 31 0.824 9.792 -3.221 1.00 0.00 C ATOM 395 C GLY A 31 -0.394 9.350 -2.433 1.00 0.00 C ATOM 396 O GLY A 31 -0.838 10.047 -1.521 1.00 0.00 O ATOM 0 H GLY A 31 1.729 10.140 -1.364 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.547 10.613 -3.882 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.160 8.972 -3.855 1.00 0.00 H new ATOM 400 N SER A 32 -0.935 8.188 -2.786 1.00 0.00 N ATOM 401 CA SER A 32 -2.112 7.657 -2.110 1.00 0.00 C ATOM 402 C SER A 32 -2.451 6.261 -2.625 1.00 0.00 C ATOM 403 O SER A 32 -2.045 5.877 -3.721 1.00 0.00 O ATOM 404 CB SER A 32 -3.307 8.591 -2.310 1.00 0.00 C ATOM 405 OG SER A 32 -4.453 8.105 -1.632 1.00 0.00 O ATOM 0 H SER A 32 -0.577 7.597 -3.536 1.00 0.00 H new ATOM 0 HA SER A 32 -1.888 7.588 -1.045 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.059 9.587 -1.944 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.523 8.687 -3.374 1.00 0.00 H new ATOM 0 HG SER A 32 -5.202 8.720 -1.774 1.00 0.00 H new ATOM 411 N TRP A 33 -3.198 5.508 -1.826 1.00 0.00 N ATOM 412 CA TRP A 33 -3.592 4.155 -2.200 1.00 0.00 C ATOM 413 C TRP A 33 -4.826 4.175 -3.096 1.00 0.00 C ATOM 414 O TRP A 33 -4.957 3.357 -4.006 1.00 0.00 O ATOM 415 CB TRP A 33 -3.869 3.318 -0.950 1.00 0.00 C ATOM 416 CG TRP A 33 -4.949 3.887 -0.081 1.00 0.00 C ATOM 417 CD1 TRP A 33 -4.788 4.529 1.113 1.00 0.00 C ATOM 418 CD2 TRP A 33 -6.358 3.862 -0.338 1.00 0.00 C ATOM 419 NE1 TRP A 33 -6.011 4.906 1.614 1.00 0.00 N ATOM 420 CE2 TRP A 33 -6.990 4.509 0.742 1.00 0.00 C ATOM 421 CE3 TRP A 33 -7.146 3.359 -1.377 1.00 0.00 C ATOM 422 CZ2 TRP A 33 -8.372 4.663 0.811 1.00 0.00 C ATOM 423 CZ3 TRP A 33 -8.517 3.512 -1.306 1.00 0.00 C ATOM 424 CH2 TRP A 33 -9.119 4.160 -0.219 1.00 0.00 C ATOM 0 H TRP A 33 -3.543 5.811 -0.915 1.00 0.00 H new ATOM 0 HA TRP A 33 -2.769 3.705 -2.756 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -4.150 2.309 -1.252 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -2.951 3.233 -0.368 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -3.839 4.714 1.594 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -6.165 5.401 2.492 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -6.691 2.860 -2.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -8.838 5.162 1.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -9.136 3.125 -2.102 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -10.194 4.264 -0.194 1.00 0.00 H new ATOM 435 N ALA A 34 -5.728 5.115 -2.833 1.00 0.00 N ATOM 436 CA ALA A 34 -6.949 5.243 -3.618 1.00 0.00 C ATOM 437 C ALA A 34 -6.635 5.554 -5.077 1.00 0.00 C ATOM 438 O ALA A 34 -6.840 4.718 -5.957 1.00 0.00 O ATOM 439 CB ALA A 34 -7.845 6.322 -3.027 1.00 0.00 C ATOM 0 H ALA A 34 -5.636 5.799 -2.082 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.475 4.289 -3.583 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.754 6.407 -3.623 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.107 6.057 -2.003 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.317 7.276 -3.031 1.00 0.00 H new ATOM 445 N GLU A 35 -6.136 6.761 -5.326 1.00 0.00 N ATOM 446 CA GLU A 35 -5.795 7.181 -6.680 1.00 0.00 C ATOM 447 C GLU A 35 -5.080 6.062 -7.433 1.00 0.00 C ATOM 448 O GLU A 35 -5.314 5.852 -8.624 1.00 0.00 O ATOM 449 CB GLU A 35 -4.912 8.430 -6.643 1.00 0.00 C ATOM 450 CG GLU A 35 -4.623 9.012 -8.016 1.00 0.00 C ATOM 451 CD GLU A 35 -4.378 10.508 -7.976 1.00 0.00 C ATOM 452 OE1 GLU A 35 -3.222 10.914 -7.736 1.00 0.00 O ATOM 453 OE2 GLU A 35 -5.343 11.273 -8.185 1.00 0.00 O ATOM 0 H GLU A 35 -5.959 7.464 -4.609 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.721 7.415 -7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.397 9.190 -6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.968 8.183 -6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.750 8.516 -8.440 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.462 8.803 -8.679 1.00 0.00 H new ATOM 460 N LEU A 36 -4.208 5.347 -6.731 1.00 0.00 N ATOM 461 CA LEU A 36 -3.458 4.250 -7.332 1.00 0.00 C ATOM 462 C LEU A 36 -4.396 3.142 -7.800 1.00 0.00 C ATOM 463 O LEU A 36 -4.246 2.613 -8.901 1.00 0.00 O ATOM 464 CB LEU A 36 -2.447 3.689 -6.331 1.00 0.00 C ATOM 465 CG LEU A 36 -1.984 2.253 -6.578 1.00 0.00 C ATOM 466 CD1 LEU A 36 -1.080 2.186 -7.798 1.00 0.00 C ATOM 467 CD2 LEU A 36 -1.270 1.704 -5.351 1.00 0.00 C ATOM 0 H LEU A 36 -4.003 5.507 -5.745 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.924 4.639 -8.199 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.570 4.337 -6.329 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.885 3.742 -5.334 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.862 1.636 -6.768 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.760 1.156 -7.958 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.625 2.537 -8.674 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.205 2.817 -7.638 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.948 0.681 -5.545 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.400 2.323 -5.129 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.950 1.715 -4.499 1.00 0.00 H new ATOM 479 N ALA A 37 -5.364 2.797 -6.957 1.00 0.00 N ATOM 480 CA ALA A 37 -6.329 1.755 -7.287 1.00 0.00 C ATOM 481 C ALA A 37 -6.988 2.024 -8.635 1.00 0.00 C ATOM 482 O ALA A 37 -7.296 1.096 -9.382 1.00 0.00 O ATOM 483 CB ALA A 37 -7.382 1.647 -6.195 1.00 0.00 C ATOM 0 H ALA A 37 -5.501 3.224 -6.041 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.794 0.808 -7.356 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.096 0.865 -6.454 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.901 1.400 -5.249 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.905 2.599 -6.098 1.00 0.00 H new ATOM 489 N GLU A 38 -7.202 3.301 -8.940 1.00 0.00 N ATOM 490 CA GLU A 38 -7.827 3.690 -10.199 1.00 0.00 C ATOM 491 C GLU A 38 -6.920 3.359 -11.381 1.00 0.00 C ATOM 492 O GLU A 38 -7.318 2.644 -12.301 1.00 0.00 O ATOM 493 CB GLU A 38 -8.149 5.186 -10.192 1.00 0.00 C ATOM 494 CG GLU A 38 -9.077 5.603 -9.063 1.00 0.00 C ATOM 495 CD GLU A 38 -9.340 7.097 -9.047 1.00 0.00 C ATOM 496 OE1 GLU A 38 -9.779 7.634 -10.085 1.00 0.00 O ATOM 497 OE2 GLU A 38 -9.106 7.728 -7.995 1.00 0.00 O ATOM 0 H GLU A 38 -6.952 4.082 -8.333 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.754 3.126 -10.306 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.219 5.749 -10.113 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.605 5.455 -11.145 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.024 5.072 -9.161 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.641 5.304 -8.110 1.00 0.00 H new ATOM 504 N ARG A 39 -5.701 3.886 -11.350 1.00 0.00 N ATOM 505 CA ARG A 39 -4.738 3.649 -12.419 1.00 0.00 C ATOM 506 C ARG A 39 -4.634 2.160 -12.736 1.00 0.00 C ATOM 507 O ARG A 39 -4.446 1.771 -13.890 1.00 0.00 O ATOM 508 CB ARG A 39 -3.364 4.195 -12.028 1.00 0.00 C ATOM 509 CG ARG A 39 -3.322 5.710 -11.909 1.00 0.00 C ATOM 510 CD ARG A 39 -1.902 6.239 -12.029 1.00 0.00 C ATOM 511 NE ARG A 39 -1.869 7.613 -12.524 1.00 0.00 N ATOM 512 CZ ARG A 39 -1.951 7.932 -13.811 1.00 0.00 C ATOM 513 NH1 ARG A 39 -2.071 6.981 -14.727 1.00 0.00 N ATOM 514 NH2 ARG A 39 -1.915 9.205 -14.183 1.00 0.00 N ATOM 0 H ARG A 39 -5.356 4.480 -10.596 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.087 4.170 -13.310 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.065 3.756 -11.076 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.631 3.877 -12.770 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.944 6.154 -12.686 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.744 6.013 -10.951 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.415 6.193 -11.055 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.332 5.598 -12.701 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.778 8.368 -11.845 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.101 6.001 -14.444 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.134 7.229 -15.714 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.824 9.939 -13.481 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.978 9.450 -15.171 1.00 0.00 H new ATOM 528 N LEU A 40 -4.756 1.331 -11.705 1.00 0.00 N ATOM 529 CA LEU A 40 -4.675 -0.116 -11.873 1.00 0.00 C ATOM 530 C LEU A 40 -5.969 -0.669 -12.461 1.00 0.00 C ATOM 531 O LEU A 40 -5.970 -1.712 -13.114 1.00 0.00 O ATOM 532 CB LEU A 40 -4.382 -0.789 -10.531 1.00 0.00 C ATOM 533 CG LEU A 40 -3.120 -0.320 -9.806 1.00 0.00 C ATOM 534 CD1 LEU A 40 -3.113 -0.820 -8.369 1.00 0.00 C ATOM 535 CD2 LEU A 40 -1.875 -0.792 -10.542 1.00 0.00 C ATOM 0 H LEU A 40 -4.911 1.636 -10.744 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.862 -0.332 -12.566 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.236 -0.628 -9.873 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.304 -1.864 -10.696 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.117 0.770 -9.790 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.208 -0.477 -7.869 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.987 -0.433 -7.845 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.140 -1.910 -8.363 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.987 -0.449 -10.012 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.871 -1.881 -10.589 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.874 -0.385 -11.553 1.00 0.00 H new ATOM 547 N GLY A 41 -7.070 0.038 -12.225 1.00 0.00 N ATOM 548 CA GLY A 41 -8.355 -0.397 -12.740 1.00 0.00 C ATOM 549 C GLY A 41 -9.294 -0.858 -11.643 1.00 0.00 C ATOM 550 O GLY A 41 -10.407 -1.308 -11.916 1.00 0.00 O ATOM 0 H GLY A 41 -7.095 0.904 -11.687 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.818 0.422 -13.290 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.202 -1.211 -13.449 1.00 0.00 H new ATOM 554 N LEU A 42 -8.844 -0.747 -10.397 1.00 0.00 N ATOM 555 CA LEU A 42 -9.651 -1.158 -9.254 1.00 0.00 C ATOM 556 C LEU A 42 -10.291 0.050 -8.577 1.00 0.00 C ATOM 557 O LEU A 42 -10.265 0.174 -7.352 1.00 0.00 O ATOM 558 CB LEU A 42 -8.792 -1.925 -8.247 1.00 0.00 C ATOM 559 CG LEU A 42 -7.746 -2.870 -8.840 1.00 0.00 C ATOM 560 CD1 LEU A 42 -6.654 -3.164 -7.823 1.00 0.00 C ATOM 561 CD2 LEU A 42 -8.400 -4.161 -9.311 1.00 0.00 C ATOM 0 H LEU A 42 -7.926 -0.376 -10.154 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.445 -1.811 -9.617 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.281 -1.202 -7.611 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.453 -2.505 -7.603 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.290 -2.382 -9.701 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.919 -3.838 -8.263 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.166 -2.233 -7.534 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.094 -3.632 -6.942 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.641 -4.822 -9.730 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.883 -4.653 -8.467 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.145 -3.934 -10.074 1.00 0.00 H new ATOM 573 N ARG A 43 -10.866 0.937 -9.382 1.00 0.00 N ATOM 574 CA ARG A 43 -11.514 2.135 -8.861 1.00 0.00 C ATOM 575 C ARG A 43 -12.840 1.788 -8.191 1.00 0.00 C ATOM 576 O ARG A 43 -13.319 2.519 -7.324 1.00 0.00 O ATOM 577 CB ARG A 43 -11.748 3.145 -9.986 1.00 0.00 C ATOM 578 CG ARG A 43 -12.846 2.735 -10.953 1.00 0.00 C ATOM 579 CD ARG A 43 -12.764 3.519 -12.254 1.00 0.00 C ATOM 580 NE ARG A 43 -13.491 2.861 -13.336 1.00 0.00 N ATOM 581 CZ ARG A 43 -14.798 2.993 -13.530 1.00 0.00 C ATOM 582 NH1 ARG A 43 -15.519 3.755 -12.719 1.00 0.00 N ATOM 583 NH2 ARG A 43 -15.388 2.363 -14.538 1.00 0.00 N ATOM 0 H ARG A 43 -10.897 0.849 -10.398 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.855 2.579 -8.115 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -12.002 4.111 -9.549 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.819 3.281 -10.540 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.767 1.669 -11.164 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.819 2.897 -10.490 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -13.169 4.519 -12.101 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.719 3.639 -12.540 1.00 0.00 H new ATOM 0 HE ARG A 43 -12.966 2.267 -13.978 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -15.070 4.242 -11.943 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -16.523 3.854 -12.871 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.837 1.776 -15.165 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -16.392 2.465 -14.686 1.00 0.00 H new ATOM 597 N SER A 44 -13.429 0.668 -8.599 1.00 0.00 N ATOM 598 CA SER A 44 -14.702 0.226 -8.042 1.00 0.00 C ATOM 599 C SER A 44 -14.507 -0.376 -6.654 1.00 0.00 C ATOM 600 O SER A 44 -15.388 -0.289 -5.798 1.00 0.00 O ATOM 601 CB SER A 44 -15.360 -0.799 -8.968 1.00 0.00 C ATOM 602 OG SER A 44 -16.119 -0.159 -9.979 1.00 0.00 O ATOM 0 H SER A 44 -13.044 0.050 -9.314 1.00 0.00 H new ATOM 0 HA SER A 44 -15.354 1.095 -7.954 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.594 -1.425 -9.425 1.00 0.00 H new ATOM 0 HB3 SER A 44 -16.005 -1.458 -8.387 1.00 0.00 H new ATOM 0 HG SER A 44 -16.528 -0.835 -10.559 1.00 0.00 H new ATOM 608 N LEU A 45 -13.348 -0.987 -6.439 1.00 0.00 N ATOM 609 CA LEU A 45 -13.035 -1.605 -5.155 1.00 0.00 C ATOM 610 C LEU A 45 -12.517 -0.568 -4.163 1.00 0.00 C ATOM 611 O LEU A 45 -12.287 -0.874 -2.993 1.00 0.00 O ATOM 612 CB LEU A 45 -11.998 -2.714 -5.339 1.00 0.00 C ATOM 613 CG LEU A 45 -12.547 -4.091 -5.716 1.00 0.00 C ATOM 614 CD1 LEU A 45 -11.510 -4.883 -6.497 1.00 0.00 C ATOM 615 CD2 LEU A 45 -12.977 -4.853 -4.471 1.00 0.00 C ATOM 0 H LEU A 45 -12.609 -1.068 -7.137 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.952 -2.037 -4.755 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.295 -2.402 -6.111 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.432 -2.812 -4.413 1.00 0.00 H new ATOM 0 HG LEU A 45 -13.421 -3.951 -6.352 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.918 -5.860 -6.757 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.251 -4.344 -7.408 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.616 -5.014 -5.887 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -13.365 -5.830 -4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -12.120 -4.983 -3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -13.754 -4.292 -3.952 1.00 0.00 H new ATOM 627 N VAL A 46 -12.338 0.660 -4.639 1.00 0.00 N ATOM 628 CA VAL A 46 -11.850 1.743 -3.793 1.00 0.00 C ATOM 629 C VAL A 46 -12.711 1.896 -2.545 1.00 0.00 C ATOM 630 O VAL A 46 -12.196 2.063 -1.439 1.00 0.00 O ATOM 631 CB VAL A 46 -11.826 3.082 -4.555 1.00 0.00 C ATOM 632 CG1 VAL A 46 -11.667 4.244 -3.587 1.00 0.00 C ATOM 633 CG2 VAL A 46 -10.714 3.085 -5.592 1.00 0.00 C ATOM 0 H VAL A 46 -12.523 0.930 -5.605 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.833 1.482 -3.499 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.776 3.201 -5.075 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -11.652 5.181 -4.143 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -12.502 4.251 -2.886 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.733 4.134 -3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.712 4.038 -6.121 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.754 2.943 -5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.878 2.276 -6.304 1.00 0.00 H new ATOM 643 N ASP A 47 -14.026 1.838 -2.729 1.00 0.00 N ATOM 644 CA ASP A 47 -14.960 1.968 -1.617 1.00 0.00 C ATOM 645 C ASP A 47 -14.893 0.747 -0.705 1.00 0.00 C ATOM 646 O ASP A 47 -14.782 0.874 0.515 1.00 0.00 O ATOM 647 CB ASP A 47 -16.385 2.153 -2.139 1.00 0.00 C ATOM 648 CG ASP A 47 -16.558 3.450 -2.905 1.00 0.00 C ATOM 649 OD1 ASP A 47 -15.816 4.412 -2.617 1.00 0.00 O ATOM 650 OD2 ASP A 47 -17.435 3.503 -3.793 1.00 0.00 O ATOM 0 H ASP A 47 -14.469 1.702 -3.638 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.677 2.847 -1.038 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.643 1.315 -2.786 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.081 2.134 -1.300 1.00 0.00 H new ATOM 655 N THR A 48 -14.963 -0.437 -1.304 1.00 0.00 N ATOM 656 CA THR A 48 -14.913 -1.681 -0.547 1.00 0.00 C ATOM 657 C THR A 48 -13.741 -1.684 0.429 1.00 0.00 C ATOM 658 O THR A 48 -13.874 -2.124 1.571 1.00 0.00 O ATOM 659 CB THR A 48 -14.793 -2.902 -1.479 1.00 0.00 C ATOM 660 OG1 THR A 48 -15.958 -3.004 -2.305 1.00 0.00 O ATOM 661 CG2 THR A 48 -14.622 -4.182 -0.675 1.00 0.00 C ATOM 0 H THR A 48 -15.055 -0.561 -2.312 1.00 0.00 H new ATOM 0 HA THR A 48 -15.847 -1.749 0.010 1.00 0.00 H new ATOM 0 HB THR A 48 -13.913 -2.766 -2.108 1.00 0.00 H new ATOM 0 HG1 THR A 48 -15.873 -3.781 -2.896 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.539 -5.030 -1.355 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.718 -4.113 -0.069 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.485 -4.321 -0.024 1.00 0.00 H new ATOM 669 N TYR A 49 -12.596 -1.191 -0.028 1.00 0.00 N ATOM 670 CA TYR A 49 -11.400 -1.138 0.805 1.00 0.00 C ATOM 671 C TYR A 49 -11.625 -0.251 2.025 1.00 0.00 C ATOM 672 O TYR A 49 -11.102 -0.520 3.107 1.00 0.00 O ATOM 673 CB TYR A 49 -10.211 -0.619 -0.006 1.00 0.00 C ATOM 674 CG TYR A 49 -9.752 -1.573 -1.085 1.00 0.00 C ATOM 675 CD1 TYR A 49 -9.520 -2.914 -0.803 1.00 0.00 C ATOM 676 CD2 TYR A 49 -9.549 -1.134 -2.388 1.00 0.00 C ATOM 677 CE1 TYR A 49 -9.099 -3.789 -1.786 1.00 0.00 C ATOM 678 CE2 TYR A 49 -9.130 -2.002 -3.377 1.00 0.00 C ATOM 679 CZ TYR A 49 -8.906 -3.328 -3.071 1.00 0.00 C ATOM 680 OH TYR A 49 -8.488 -4.196 -4.054 1.00 0.00 O ATOM 0 H TYR A 49 -12.470 -0.822 -0.971 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.182 -2.149 1.149 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.482 0.332 -0.465 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.379 -0.421 0.670 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.671 -3.279 0.202 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.722 -0.096 -2.631 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.922 -4.828 -1.549 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.979 -1.644 -4.385 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.402 -3.713 -4.902 1.00 0.00 H new ATOM 690 N ARG A 50 -12.406 0.809 1.842 1.00 0.00 N ATOM 691 CA ARG A 50 -12.701 1.737 2.927 1.00 0.00 C ATOM 692 C ARG A 50 -13.080 0.985 4.199 1.00 0.00 C ATOM 693 O ARG A 50 -12.884 1.483 5.307 1.00 0.00 O ATOM 694 CB ARG A 50 -13.834 2.683 2.524 1.00 0.00 C ATOM 695 CG ARG A 50 -15.220 2.130 2.812 1.00 0.00 C ATOM 696 CD ARG A 50 -16.263 2.729 1.882 1.00 0.00 C ATOM 697 NE ARG A 50 -16.741 4.025 2.358 1.00 0.00 N ATOM 698 CZ ARG A 50 -17.816 4.635 1.872 1.00 0.00 C ATOM 699 NH1 ARG A 50 -18.522 4.070 0.902 1.00 0.00 N ATOM 700 NH2 ARG A 50 -18.188 5.812 2.357 1.00 0.00 N ATOM 0 H ARG A 50 -12.846 1.046 0.953 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.802 2.321 3.126 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.712 3.628 3.053 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.753 2.901 1.459 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -15.211 1.046 2.700 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.489 2.341 3.847 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -15.837 2.844 0.885 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -17.105 2.043 1.792 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.221 4.486 3.104 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -18.240 3.164 0.527 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -19.347 4.541 0.531 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.648 6.249 3.104 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -19.014 6.280 1.983 1.00 0.00 H new ATOM 714 N GLN A 51 -13.624 -0.216 4.030 1.00 0.00 N ATOM 715 CA GLN A 51 -14.031 -1.036 5.165 1.00 0.00 C ATOM 716 C GLN A 51 -12.994 -0.974 6.281 1.00 0.00 C ATOM 717 O GLN A 51 -13.324 -1.116 7.459 1.00 0.00 O ATOM 718 CB GLN A 51 -14.238 -2.486 4.725 1.00 0.00 C ATOM 719 CG GLN A 51 -12.968 -3.161 4.234 1.00 0.00 C ATOM 720 CD GLN A 51 -13.167 -4.633 3.934 1.00 0.00 C ATOM 721 OE1 GLN A 51 -12.611 -5.498 4.611 1.00 0.00 O ATOM 722 NE2 GLN A 51 -13.965 -4.927 2.913 1.00 0.00 N ATOM 0 H GLN A 51 -13.793 -0.642 3.119 1.00 0.00 H new ATOM 0 HA GLN A 51 -14.973 -0.642 5.547 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.642 -3.056 5.561 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -14.984 -2.513 3.931 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.617 -2.655 3.335 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -12.188 -3.050 4.987 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -14.406 -4.179 2.378 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -14.137 -5.901 2.664 1.00 0.00 H new ATOM 731 N THR A 52 -11.737 -0.762 5.904 1.00 0.00 N ATOM 732 CA THR A 52 -10.651 -0.682 6.873 1.00 0.00 C ATOM 733 C THR A 52 -9.997 0.694 6.854 1.00 0.00 C ATOM 734 O THR A 52 -10.264 1.508 5.970 1.00 0.00 O ATOM 735 CB THR A 52 -9.577 -1.753 6.602 1.00 0.00 C ATOM 736 OG1 THR A 52 -8.352 -1.392 7.248 1.00 0.00 O ATOM 737 CG2 THR A 52 -9.341 -1.916 5.108 1.00 0.00 C ATOM 0 H THR A 52 -11.446 -0.643 4.934 1.00 0.00 H new ATOM 0 HA THR A 52 -11.090 -0.858 7.855 1.00 0.00 H new ATOM 0 HB THR A 52 -9.932 -2.702 7.003 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.675 -2.078 7.072 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.579 -2.677 4.941 1.00 0.00 H new ATOM 0 HG22 THR A 52 -10.269 -2.220 4.624 1.00 0.00 H new ATOM 0 HG23 THR A 52 -9.005 -0.968 4.687 1.00 0.00 H new ATOM 745 N THR A 53 -9.136 0.949 7.835 1.00 0.00 N ATOM 746 CA THR A 53 -8.443 2.227 7.931 1.00 0.00 C ATOM 747 C THR A 53 -7.204 2.249 7.043 1.00 0.00 C ATOM 748 O THR A 53 -6.899 3.261 6.412 1.00 0.00 O ATOM 749 CB THR A 53 -8.027 2.533 9.382 1.00 0.00 C ATOM 750 OG1 THR A 53 -9.187 2.631 10.215 1.00 0.00 O ATOM 751 CG2 THR A 53 -7.232 3.828 9.456 1.00 0.00 C ATOM 0 H THR A 53 -8.902 0.286 8.574 1.00 0.00 H new ATOM 0 HA THR A 53 -9.142 2.992 7.593 1.00 0.00 H new ATOM 0 HB THR A 53 -7.396 1.717 9.734 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.913 2.824 11.136 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.950 4.023 10.491 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.334 3.739 8.845 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.843 4.651 9.085 1.00 0.00 H new ATOM 759 N SER A 54 -6.494 1.127 6.998 1.00 0.00 N ATOM 760 CA SER A 54 -5.286 1.018 6.189 1.00 0.00 C ATOM 761 C SER A 54 -5.344 -0.211 5.287 1.00 0.00 C ATOM 762 O SER A 54 -4.683 -1.221 5.528 1.00 0.00 O ATOM 763 CB SER A 54 -4.050 0.947 7.088 1.00 0.00 C ATOM 764 OG SER A 54 -4.110 1.921 8.116 1.00 0.00 O ATOM 0 H SER A 54 -6.734 0.280 7.513 1.00 0.00 H new ATOM 0 HA SER A 54 -5.219 1.905 5.560 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.974 -0.047 7.529 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.152 1.100 6.490 1.00 0.00 H new ATOM 0 HG SER A 54 -3.310 1.854 8.678 1.00 0.00 H new ATOM 770 N PRO A 55 -6.155 -0.124 4.222 1.00 0.00 N ATOM 771 CA PRO A 55 -6.319 -1.219 3.262 1.00 0.00 C ATOM 772 C PRO A 55 -5.070 -1.441 2.416 1.00 0.00 C ATOM 773 O PRO A 55 -5.004 -2.381 1.623 1.00 0.00 O ATOM 774 CB PRO A 55 -7.482 -0.750 2.384 1.00 0.00 C ATOM 775 CG PRO A 55 -7.456 0.737 2.484 1.00 0.00 C ATOM 776 CD PRO A 55 -6.972 1.050 3.873 1.00 0.00 C ATOM 0 HA PRO A 55 -6.499 -2.172 3.759 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.357 -1.080 1.353 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.431 -1.154 2.735 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.793 1.167 1.733 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.447 1.157 2.312 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.386 1.969 3.897 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.802 1.183 4.567 1.00 0.00 H new ATOM 784 N SER A 56 -4.081 -0.571 2.590 1.00 0.00 N ATOM 785 CA SER A 56 -2.834 -0.670 1.840 1.00 0.00 C ATOM 786 C SER A 56 -2.400 -2.126 1.698 1.00 0.00 C ATOM 787 O SER A 56 -1.836 -2.521 0.678 1.00 0.00 O ATOM 788 CB SER A 56 -1.733 0.137 2.530 1.00 0.00 C ATOM 789 OG SER A 56 -0.810 0.652 1.586 1.00 0.00 O ATOM 0 H SER A 56 -4.119 0.211 3.244 1.00 0.00 H new ATOM 0 HA SER A 56 -3.004 -0.261 0.844 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.178 0.957 3.093 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.210 -0.495 3.247 1.00 0.00 H new ATOM 0 HG SER A 56 -0.636 -0.023 0.897 1.00 0.00 H new ATOM 795 N GLY A 57 -2.668 -2.920 2.730 1.00 0.00 N ATOM 796 CA GLY A 57 -2.299 -4.324 2.701 1.00 0.00 C ATOM 797 C GLY A 57 -3.260 -5.159 1.878 1.00 0.00 C ATOM 798 O GLY A 57 -2.847 -6.087 1.182 1.00 0.00 O ATOM 0 H GLY A 57 -3.134 -2.617 3.585 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.294 -4.424 2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.268 -4.710 3.720 1.00 0.00 H new ATOM 802 N SER A 58 -4.545 -4.831 1.958 1.00 0.00 N ATOM 803 CA SER A 58 -5.568 -5.562 1.218 1.00 0.00 C ATOM 804 C SER A 58 -5.629 -5.092 -0.232 1.00 0.00 C ATOM 805 O SER A 58 -6.332 -5.677 -1.058 1.00 0.00 O ATOM 806 CB SER A 58 -6.934 -5.382 1.883 1.00 0.00 C ATOM 807 OG SER A 58 -7.918 -6.182 1.250 1.00 0.00 O ATOM 0 H SER A 58 -4.903 -4.064 2.527 1.00 0.00 H new ATOM 0 HA SER A 58 -5.304 -6.619 1.228 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.867 -5.649 2.938 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.229 -4.334 1.838 1.00 0.00 H new ATOM 0 HG SER A 58 -7.772 -6.174 0.281 1.00 0.00 H new ATOM 813 N LEU A 59 -4.890 -4.031 -0.535 1.00 0.00 N ATOM 814 CA LEU A 59 -4.859 -3.480 -1.886 1.00 0.00 C ATOM 815 C LEU A 59 -3.841 -4.217 -2.751 1.00 0.00 C ATOM 816 O LEU A 59 -4.144 -4.628 -3.872 1.00 0.00 O ATOM 817 CB LEU A 59 -4.524 -1.989 -1.842 1.00 0.00 C ATOM 818 CG LEU A 59 -4.432 -1.281 -3.195 1.00 0.00 C ATOM 819 CD1 LEU A 59 -5.788 -1.270 -3.885 1.00 0.00 C ATOM 820 CD2 LEU A 59 -3.908 0.137 -3.021 1.00 0.00 C ATOM 0 H LEU A 59 -4.304 -3.535 0.136 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.847 -3.611 -2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.281 -1.485 -1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.572 -1.866 -1.325 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.732 -1.830 -3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.703 -0.762 -4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.123 -2.295 -4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.510 -0.745 -3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.849 0.625 -3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.583 0.697 -2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.916 0.106 -2.570 1.00 0.00 H new ATOM 832 N LEU A 60 -2.633 -4.382 -2.223 1.00 0.00 N ATOM 833 CA LEU A 60 -1.570 -5.071 -2.946 1.00 0.00 C ATOM 834 C LEU A 60 -1.891 -6.554 -3.103 1.00 0.00 C ATOM 835 O LEU A 60 -1.432 -7.202 -4.043 1.00 0.00 O ATOM 836 CB LEU A 60 -0.236 -4.901 -2.215 1.00 0.00 C ATOM 837 CG LEU A 60 0.325 -3.479 -2.165 1.00 0.00 C ATOM 838 CD1 LEU A 60 1.236 -3.307 -0.960 1.00 0.00 C ATOM 839 CD2 LEU A 60 1.072 -3.155 -3.451 1.00 0.00 C ATOM 0 H LEU A 60 -2.365 -4.048 -1.297 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.493 -4.628 -3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.357 -5.259 -1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.502 -5.545 -2.693 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.508 -2.783 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.626 -2.289 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.671 -3.497 -0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.065 -4.012 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.464 -2.139 -3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.897 -3.856 -3.579 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.391 -3.237 -4.298 1.00 0.00 H new ATOM 851 N ARG A 61 -2.683 -7.084 -2.177 1.00 0.00 N ATOM 852 CA ARG A 61 -3.067 -8.490 -2.213 1.00 0.00 C ATOM 853 C ARG A 61 -4.171 -8.726 -3.239 1.00 0.00 C ATOM 854 O ARG A 61 -4.236 -9.784 -3.864 1.00 0.00 O ATOM 855 CB ARG A 61 -3.533 -8.949 -0.831 1.00 0.00 C ATOM 856 CG ARG A 61 -5.005 -8.680 -0.564 1.00 0.00 C ATOM 857 CD ARG A 61 -5.466 -9.334 0.729 1.00 0.00 C ATOM 858 NE ARG A 61 -6.598 -8.630 1.326 1.00 0.00 N ATOM 859 CZ ARG A 61 -7.089 -8.912 2.527 1.00 0.00 C ATOM 860 NH1 ARG A 61 -6.550 -9.880 3.256 1.00 0.00 N ATOM 861 NH2 ARG A 61 -8.122 -8.227 3.001 1.00 0.00 N ATOM 0 H ARG A 61 -3.071 -6.561 -1.392 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.193 -9.072 -2.505 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.343 -10.018 -0.729 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.937 -8.446 -0.070 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.175 -7.605 -0.510 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.601 -9.056 -1.396 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.746 -10.369 0.532 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.639 -9.357 1.438 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.036 -7.880 0.791 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.757 -10.409 2.894 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.929 -10.095 4.178 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.540 -7.483 2.443 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.498 -8.445 3.924 1.00 0.00 H new ATOM 875 N SER A 62 -5.038 -7.732 -3.407 1.00 0.00 N ATOM 876 CA SER A 62 -6.143 -7.833 -4.353 1.00 0.00 C ATOM 877 C SER A 62 -5.691 -7.449 -5.759 1.00 0.00 C ATOM 878 O SER A 62 -6.139 -8.030 -6.747 1.00 0.00 O ATOM 879 CB SER A 62 -7.302 -6.935 -3.915 1.00 0.00 C ATOM 880 OG SER A 62 -7.799 -7.326 -2.647 1.00 0.00 O ATOM 0 H SER A 62 -4.996 -6.848 -2.900 1.00 0.00 H new ATOM 0 HA SER A 62 -6.482 -8.869 -4.369 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.968 -5.898 -3.874 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.102 -6.983 -4.653 1.00 0.00 H new ATOM 0 HG SER A 62 -7.352 -6.806 -1.946 1.00 0.00 H new ATOM 886 N TYR A 63 -4.800 -6.467 -5.839 1.00 0.00 N ATOM 887 CA TYR A 63 -4.288 -6.003 -7.123 1.00 0.00 C ATOM 888 C TYR A 63 -3.820 -7.176 -7.979 1.00 0.00 C ATOM 889 O TYR A 63 -3.917 -7.140 -9.205 1.00 0.00 O ATOM 890 CB TYR A 63 -3.135 -5.021 -6.910 1.00 0.00 C ATOM 891 CG TYR A 63 -2.354 -4.721 -8.171 1.00 0.00 C ATOM 892 CD1 TYR A 63 -2.949 -4.059 -9.238 1.00 0.00 C ATOM 893 CD2 TYR A 63 -1.024 -5.102 -8.294 1.00 0.00 C ATOM 894 CE1 TYR A 63 -2.240 -3.784 -10.391 1.00 0.00 C ATOM 895 CE2 TYR A 63 -0.307 -4.830 -9.444 1.00 0.00 C ATOM 896 CZ TYR A 63 -0.920 -4.171 -10.489 1.00 0.00 C ATOM 897 OH TYR A 63 -0.210 -3.899 -11.636 1.00 0.00 O ATOM 0 H TYR A 63 -4.417 -5.977 -5.030 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.098 -5.495 -7.647 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.532 -4.089 -6.508 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.456 -5.428 -6.160 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.983 -3.755 -9.165 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.542 -5.619 -7.478 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.717 -3.269 -11.212 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.727 -5.132 -9.524 1.00 0.00 H new ATOM 0 HH TYR A 63 0.722 -4.179 -11.518 1.00 0.00 H new ATOM 907 N GLU A 64 -3.314 -8.215 -7.323 1.00 0.00 N ATOM 908 CA GLU A 64 -2.832 -9.399 -8.023 1.00 0.00 C ATOM 909 C GLU A 64 -3.983 -10.347 -8.348 1.00 0.00 C ATOM 910 O GLU A 64 -3.967 -11.035 -9.369 1.00 0.00 O ATOM 911 CB GLU A 64 -1.781 -10.125 -7.180 1.00 0.00 C ATOM 912 CG GLU A 64 -2.373 -11.120 -6.196 1.00 0.00 C ATOM 913 CD GLU A 64 -1.315 -11.966 -5.515 1.00 0.00 C ATOM 914 OE1 GLU A 64 -0.944 -13.018 -6.077 1.00 0.00 O ATOM 915 OE2 GLU A 64 -0.857 -11.577 -4.420 1.00 0.00 O ATOM 0 H GLU A 64 -3.227 -8.261 -6.308 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.377 -9.075 -8.959 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.093 -10.649 -7.844 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.195 -9.388 -6.631 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.945 -10.582 -5.440 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.072 -11.772 -6.720 1.00 0.00 H new ATOM 922 N LEU A 65 -4.981 -10.377 -7.471 1.00 0.00 N ATOM 923 CA LEU A 65 -6.142 -11.240 -7.663 1.00 0.00 C ATOM 924 C LEU A 65 -6.993 -10.755 -8.832 1.00 0.00 C ATOM 925 O LEU A 65 -7.558 -11.557 -9.575 1.00 0.00 O ATOM 926 CB LEU A 65 -6.984 -11.285 -6.387 1.00 0.00 C ATOM 927 CG LEU A 65 -6.311 -11.899 -5.159 1.00 0.00 C ATOM 928 CD1 LEU A 65 -7.261 -11.896 -3.972 1.00 0.00 C ATOM 929 CD2 LEU A 65 -5.836 -13.313 -5.462 1.00 0.00 C ATOM 0 H LEU A 65 -5.010 -9.814 -6.621 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.785 -12.244 -7.891 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.287 -10.268 -6.140 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.894 -11.847 -6.596 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.442 -11.293 -4.903 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.765 -12.337 -3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.551 -10.871 -3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.150 -12.478 -4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.360 -13.734 -4.577 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.689 -13.931 -5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.119 -13.288 -6.283 1.00 0.00 H new ATOM 941 N ALA A 66 -7.079 -9.439 -8.989 1.00 0.00 N ATOM 942 CA ALA A 66 -7.859 -8.847 -10.069 1.00 0.00 C ATOM 943 C ALA A 66 -7.216 -9.125 -11.424 1.00 0.00 C ATOM 944 O ALA A 66 -7.885 -9.098 -12.456 1.00 0.00 O ATOM 945 CB ALA A 66 -8.011 -7.349 -9.852 1.00 0.00 C ATOM 0 H ALA A 66 -6.618 -8.762 -8.382 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.848 -9.305 -10.063 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.596 -6.921 -10.666 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.520 -7.168 -8.905 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.026 -6.883 -9.829 1.00 0.00 H new ATOM 951 N GLY A 67 -5.914 -9.390 -11.414 1.00 0.00 N ATOM 952 CA GLY A 67 -5.203 -9.667 -12.648 1.00 0.00 C ATOM 953 C GLY A 67 -4.097 -8.666 -12.918 1.00 0.00 C ATOM 954 O GLY A 67 -3.741 -8.420 -14.070 1.00 0.00 O ATOM 0 H GLY A 67 -5.338 -9.418 -10.573 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.778 -10.670 -12.601 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.908 -9.658 -13.479 1.00 0.00 H new ATOM 958 N GLY A 68 -3.553 -8.085 -11.853 1.00 0.00 N ATOM 959 CA GLY A 68 -2.489 -7.111 -12.002 1.00 0.00 C ATOM 960 C GLY A 68 -1.112 -7.742 -11.942 1.00 0.00 C ATOM 961 O GLY A 68 -0.984 -8.966 -11.902 1.00 0.00 O ATOM 0 H GLY A 68 -3.831 -8.272 -10.890 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.606 -6.592 -12.953 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.576 -6.360 -11.217 1.00 0.00 H new ATOM 965 N ASP A 69 -0.079 -6.906 -11.939 1.00 0.00 N ATOM 966 CA ASP A 69 1.296 -7.390 -11.885 1.00 0.00 C ATOM 967 C ASP A 69 2.237 -6.296 -11.392 1.00 0.00 C ATOM 968 O ASP A 69 1.915 -5.109 -11.456 1.00 0.00 O ATOM 969 CB ASP A 69 1.741 -7.880 -13.264 1.00 0.00 C ATOM 970 CG ASP A 69 1.421 -9.344 -13.489 1.00 0.00 C ATOM 971 OD1 ASP A 69 1.725 -10.162 -12.596 1.00 0.00 O ATOM 972 OD2 ASP A 69 0.866 -9.673 -14.559 1.00 0.00 O ATOM 0 H ASP A 69 -0.168 -5.890 -11.973 1.00 0.00 H new ATOM 0 HA ASP A 69 1.336 -8.222 -11.182 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.253 -7.282 -14.034 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.814 -7.725 -13.373 1.00 0.00 H new ATOM 977 N LEU A 70 3.402 -6.703 -10.899 1.00 0.00 N ATOM 978 CA LEU A 70 4.391 -5.758 -10.393 1.00 0.00 C ATOM 979 C LEU A 70 4.634 -4.635 -11.396 1.00 0.00 C ATOM 980 O LEU A 70 4.455 -3.459 -11.082 1.00 0.00 O ATOM 981 CB LEU A 70 5.705 -6.479 -10.089 1.00 0.00 C ATOM 982 CG LEU A 70 6.665 -5.755 -9.143 1.00 0.00 C ATOM 983 CD1 LEU A 70 6.110 -5.743 -7.727 1.00 0.00 C ATOM 984 CD2 LEU A 70 8.038 -6.409 -9.174 1.00 0.00 C ATOM 0 H LEU A 70 3.685 -7.681 -10.839 1.00 0.00 H new ATOM 0 HA LEU A 70 4.002 -5.321 -9.473 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.471 -7.454 -9.661 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.223 -6.661 -11.031 1.00 0.00 H new ATOM 0 HG LEU A 70 6.768 -4.724 -9.480 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.806 -5.224 -7.068 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.149 -5.229 -7.717 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.977 -6.768 -7.380 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.708 -5.881 -8.495 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.952 -7.450 -8.862 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.439 -6.365 -10.187 1.00 0.00 H new ATOM 996 N ALA A 71 5.040 -5.006 -12.606 1.00 0.00 N ATOM 997 CA ALA A 71 5.303 -4.031 -13.657 1.00 0.00 C ATOM 998 C ALA A 71 4.220 -2.959 -13.694 1.00 0.00 C ATOM 999 O ALA A 71 4.481 -1.789 -13.416 1.00 0.00 O ATOM 1000 CB ALA A 71 5.409 -4.725 -15.007 1.00 0.00 C ATOM 0 H ALA A 71 5.194 -5.976 -12.883 1.00 0.00 H new ATOM 0 HA ALA A 71 6.253 -3.543 -13.437 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.606 -3.985 -15.782 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.224 -5.448 -14.981 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.474 -5.240 -15.226 1.00 0.00 H new ATOM 1006 N GLY A 72 3.002 -3.366 -14.040 1.00 0.00 N ATOM 1007 CA GLY A 72 1.898 -2.427 -14.108 1.00 0.00 C ATOM 1008 C GLY A 72 1.831 -1.521 -12.894 1.00 0.00 C ATOM 1009 O GLY A 72 1.577 -0.322 -13.017 1.00 0.00 O ATOM 0 H GLY A 72 2.761 -4.329 -14.274 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.998 -1.818 -15.007 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.962 -2.978 -14.198 1.00 0.00 H new ATOM 1013 N LEU A 73 2.056 -2.095 -11.717 1.00 0.00 N ATOM 1014 CA LEU A 73 2.019 -1.332 -10.474 1.00 0.00 C ATOM 1015 C LEU A 73 3.150 -0.310 -10.429 1.00 0.00 C ATOM 1016 O LEU A 73 3.008 0.763 -9.840 1.00 0.00 O ATOM 1017 CB LEU A 73 2.118 -2.273 -9.272 1.00 0.00 C ATOM 1018 CG LEU A 73 1.937 -1.627 -7.898 1.00 0.00 C ATOM 1019 CD1 LEU A 73 0.479 -1.262 -7.667 1.00 0.00 C ATOM 1020 CD2 LEU A 73 2.435 -2.557 -6.802 1.00 0.00 C ATOM 0 H LEU A 73 2.266 -3.086 -11.597 1.00 0.00 H new ATOM 0 HA LEU A 73 1.070 -0.798 -10.432 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.367 -3.055 -9.385 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.093 -2.760 -9.297 1.00 0.00 H new ATOM 0 HG LEU A 73 2.528 -0.712 -7.868 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.370 -0.804 -6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.154 -0.558 -8.434 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.134 -2.162 -7.718 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.298 -2.081 -5.831 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.871 -3.489 -6.832 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.493 -2.768 -6.957 1.00 0.00 H new ATOM 1032 N LEU A 74 4.272 -0.648 -11.055 1.00 0.00 N ATOM 1033 CA LEU A 74 5.428 0.242 -11.088 1.00 0.00 C ATOM 1034 C LEU A 74 5.168 1.438 -11.997 1.00 0.00 C ATOM 1035 O LEU A 74 5.606 2.552 -11.712 1.00 0.00 O ATOM 1036 CB LEU A 74 6.666 -0.517 -11.567 1.00 0.00 C ATOM 1037 CG LEU A 74 7.258 -1.526 -10.581 1.00 0.00 C ATOM 1038 CD1 LEU A 74 8.109 -2.552 -11.314 1.00 0.00 C ATOM 1039 CD2 LEU A 74 8.079 -0.812 -9.517 1.00 0.00 C ATOM 0 H LEU A 74 4.406 -1.532 -11.547 1.00 0.00 H new ATOM 0 HA LEU A 74 5.603 0.609 -10.077 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.411 -1.044 -12.486 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.438 0.210 -11.820 1.00 0.00 H new ATOM 0 HG LEU A 74 6.438 -2.049 -10.089 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.522 -3.261 -10.597 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.493 -3.085 -12.038 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.923 -2.046 -11.833 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.493 -1.545 -8.824 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.892 -0.263 -9.992 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.441 -0.116 -8.971 1.00 0.00 H new ATOM 1051 N GLU A 75 4.450 1.200 -13.090 1.00 0.00 N ATOM 1052 CA GLU A 75 4.130 2.260 -14.040 1.00 0.00 C ATOM 1053 C GLU A 75 3.158 3.264 -13.427 1.00 0.00 C ATOM 1054 O GLU A 75 3.249 4.465 -13.681 1.00 0.00 O ATOM 1055 CB GLU A 75 3.531 1.667 -15.317 1.00 0.00 C ATOM 1056 CG GLU A 75 2.584 2.610 -16.040 1.00 0.00 C ATOM 1057 CD GLU A 75 2.548 2.367 -17.536 1.00 0.00 C ATOM 1058 OE1 GLU A 75 3.566 1.894 -18.084 1.00 0.00 O ATOM 1059 OE2 GLU A 75 1.504 2.650 -18.159 1.00 0.00 O ATOM 0 H GLU A 75 4.079 0.283 -13.340 1.00 0.00 H new ATOM 0 HA GLU A 75 5.054 2.781 -14.289 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.340 1.389 -15.993 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.997 0.751 -15.066 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.580 2.493 -15.633 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.887 3.640 -15.850 1.00 0.00 H new ATOM 1066 N ALA A 76 2.229 2.763 -12.620 1.00 0.00 N ATOM 1067 CA ALA A 76 1.241 3.615 -11.970 1.00 0.00 C ATOM 1068 C ALA A 76 1.882 4.462 -10.876 1.00 0.00 C ATOM 1069 O ALA A 76 1.798 5.691 -10.897 1.00 0.00 O ATOM 1070 CB ALA A 76 0.113 2.772 -11.396 1.00 0.00 C ATOM 0 H ALA A 76 2.140 1.771 -12.401 1.00 0.00 H new ATOM 0 HA ALA A 76 0.829 4.290 -12.720 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.617 3.422 -10.914 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.370 2.216 -12.199 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.517 2.074 -10.663 1.00 0.00 H new ATOM 1076 N LEU A 77 2.521 3.798 -9.919 1.00 0.00 N ATOM 1077 CA LEU A 77 3.176 4.490 -8.814 1.00 0.00 C ATOM 1078 C LEU A 77 3.980 5.683 -9.319 1.00 0.00 C ATOM 1079 O LEU A 77 3.884 6.784 -8.776 1.00 0.00 O ATOM 1080 CB LEU A 77 4.091 3.528 -8.055 1.00 0.00 C ATOM 1081 CG LEU A 77 3.397 2.382 -7.318 1.00 0.00 C ATOM 1082 CD1 LEU A 77 4.402 1.305 -6.939 1.00 0.00 C ATOM 1083 CD2 LEU A 77 2.678 2.901 -6.082 1.00 0.00 C ATOM 0 H LEU A 77 2.600 2.782 -9.886 1.00 0.00 H new ATOM 0 HA LEU A 77 2.403 4.856 -8.138 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.802 3.101 -8.762 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.668 4.103 -7.330 1.00 0.00 H new ATOM 0 HG LEU A 77 2.657 1.941 -7.986 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.890 0.498 -6.415 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.872 0.912 -7.841 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.165 1.732 -6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.190 2.072 -5.570 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.399 3.368 -5.411 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.929 3.636 -6.378 1.00 0.00 H new ATOM 1095 N SER A 78 4.772 5.458 -10.363 1.00 0.00 N ATOM 1096 CA SER A 78 5.595 6.514 -10.940 1.00 0.00 C ATOM 1097 C SER A 78 4.729 7.674 -11.422 1.00 0.00 C ATOM 1098 O SER A 78 4.990 8.834 -11.099 1.00 0.00 O ATOM 1099 CB SER A 78 6.425 5.965 -12.103 1.00 0.00 C ATOM 1100 OG SER A 78 7.390 6.910 -12.531 1.00 0.00 O ATOM 0 H SER A 78 4.861 4.554 -10.826 1.00 0.00 H new ATOM 0 HA SER A 78 6.267 6.882 -10.165 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.923 5.045 -11.796 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.768 5.710 -12.934 1.00 0.00 H new ATOM 0 HG SER A 78 7.908 6.535 -13.273 1.00 0.00 H new ATOM 1106 N ASP A 79 3.698 7.354 -12.196 1.00 0.00 N ATOM 1107 CA ASP A 79 2.793 8.368 -12.722 1.00 0.00 C ATOM 1108 C ASP A 79 2.297 9.285 -11.608 1.00 0.00 C ATOM 1109 O ASP A 79 2.064 10.473 -11.827 1.00 0.00 O ATOM 1110 CB ASP A 79 1.604 7.707 -13.422 1.00 0.00 C ATOM 1111 CG ASP A 79 1.016 8.580 -14.513 1.00 0.00 C ATOM 1112 OD1 ASP A 79 1.142 9.818 -14.414 1.00 0.00 O ATOM 1113 OD2 ASP A 79 0.428 8.025 -15.465 1.00 0.00 O ATOM 0 H ASP A 79 3.468 6.400 -12.473 1.00 0.00 H new ATOM 0 HA ASP A 79 3.343 8.970 -13.446 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.922 6.757 -13.852 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.832 7.481 -12.686 1.00 0.00 H new ATOM 1118 N MET A 80 2.139 8.724 -10.414 1.00 0.00 N ATOM 1119 CA MET A 80 1.671 9.492 -9.266 1.00 0.00 C ATOM 1120 C MET A 80 2.828 10.229 -8.597 1.00 0.00 C ATOM 1121 O MET A 80 2.667 11.350 -8.116 1.00 0.00 O ATOM 1122 CB MET A 80 0.986 8.572 -8.254 1.00 0.00 C ATOM 1123 CG MET A 80 -0.206 7.821 -8.826 1.00 0.00 C ATOM 1124 SD MET A 80 -0.890 6.619 -7.669 1.00 0.00 S ATOM 1125 CE MET A 80 -1.193 7.658 -6.242 1.00 0.00 C ATOM 0 H MET A 80 2.328 7.741 -10.216 1.00 0.00 H new ATOM 0 HA MET A 80 0.951 10.228 -9.623 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.713 7.852 -7.879 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.656 9.165 -7.401 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.982 8.535 -9.103 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.096 7.309 -9.739 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.983 7.219 -5.633 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.281 7.738 -5.650 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.499 8.650 -6.573 1.00 0.00 H new ATOM 1135 N GLY A 81 3.994 9.592 -8.571 1.00 0.00 N ATOM 1136 CA GLY A 81 5.160 10.202 -7.959 1.00 0.00 C ATOM 1137 C GLY A 81 5.832 9.289 -6.954 1.00 0.00 C ATOM 1138 O GLY A 81 7.038 9.389 -6.722 1.00 0.00 O ATOM 0 H GLY A 81 4.152 8.664 -8.963 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.876 10.471 -8.736 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.865 11.127 -7.464 1.00 0.00 H new ATOM 1142 N LEU A 82 5.052 8.397 -6.353 1.00 0.00 N ATOM 1143 CA LEU A 82 5.579 7.463 -5.364 1.00 0.00 C ATOM 1144 C LEU A 82 6.766 6.688 -5.926 1.00 0.00 C ATOM 1145 O LEU A 82 6.611 5.577 -6.433 1.00 0.00 O ATOM 1146 CB LEU A 82 4.485 6.490 -4.919 1.00 0.00 C ATOM 1147 CG LEU A 82 3.162 7.121 -4.485 1.00 0.00 C ATOM 1148 CD1 LEU A 82 2.010 6.154 -4.710 1.00 0.00 C ATOM 1149 CD2 LEU A 82 3.227 7.546 -3.026 1.00 0.00 C ATOM 0 H LEU A 82 4.053 8.301 -6.533 1.00 0.00 H new ATOM 0 HA LEU A 82 5.919 8.038 -4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.284 5.801 -5.739 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.870 5.896 -4.090 1.00 0.00 H new ATOM 0 HG LEU A 82 2.988 8.008 -5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.077 6.621 -4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.950 5.900 -5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.177 5.248 -4.128 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.277 7.993 -2.735 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.425 6.675 -2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.026 8.275 -2.895 1.00 0.00 H new ATOM 1161 N GLU A 83 7.952 7.281 -5.832 1.00 0.00 N ATOM 1162 CA GLU A 83 9.166 6.645 -6.330 1.00 0.00 C ATOM 1163 C GLU A 83 9.672 5.593 -5.346 1.00 0.00 C ATOM 1164 O GLU A 83 10.396 4.673 -5.725 1.00 0.00 O ATOM 1165 CB GLU A 83 10.253 7.693 -6.578 1.00 0.00 C ATOM 1166 CG GLU A 83 10.844 8.269 -5.302 1.00 0.00 C ATOM 1167 CD GLU A 83 11.905 7.373 -4.694 1.00 0.00 C ATOM 1168 OE1 GLU A 83 12.356 6.434 -5.382 1.00 0.00 O ATOM 1169 OE2 GLU A 83 12.286 7.612 -3.528 1.00 0.00 O ATOM 0 H GLU A 83 8.098 8.201 -5.416 1.00 0.00 H new ATOM 0 HA GLU A 83 8.927 6.151 -7.272 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.052 7.243 -7.168 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.835 8.504 -7.174 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.278 9.246 -5.516 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.047 8.426 -4.576 1.00 0.00 H new ATOM 1176 N GLU A 84 9.286 5.739 -4.083 1.00 0.00 N ATOM 1177 CA GLU A 84 9.702 4.803 -3.045 1.00 0.00 C ATOM 1178 C GLU A 84 9.268 3.382 -3.388 1.00 0.00 C ATOM 1179 O GLU A 84 10.098 2.484 -3.528 1.00 0.00 O ATOM 1180 CB GLU A 84 9.117 5.214 -1.692 1.00 0.00 C ATOM 1181 CG GLU A 84 9.973 6.218 -0.938 1.00 0.00 C ATOM 1182 CD GLU A 84 11.436 5.822 -0.895 1.00 0.00 C ATOM 1183 OE1 GLU A 84 11.722 4.634 -0.638 1.00 0.00 O ATOM 1184 OE2 GLU A 84 12.295 6.700 -1.119 1.00 0.00 O ATOM 0 H GLU A 84 8.686 6.496 -3.754 1.00 0.00 H new ATOM 0 HA GLU A 84 10.790 4.828 -2.985 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.126 5.640 -1.848 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.988 4.324 -1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.879 7.196 -1.409 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.597 6.318 0.080 1.00 0.00 H new ATOM 1191 N GLY A 85 7.960 3.185 -3.522 1.00 0.00 N ATOM 1192 CA GLY A 85 7.437 1.871 -3.847 1.00 0.00 C ATOM 1193 C GLY A 85 8.175 1.222 -5.001 1.00 0.00 C ATOM 1194 O GLY A 85 8.564 0.056 -4.923 1.00 0.00 O ATOM 0 H GLY A 85 7.253 3.912 -3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.506 1.229 -2.969 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.380 1.956 -4.098 1.00 0.00 H new ATOM 1198 N VAL A 86 8.368 1.978 -6.078 1.00 0.00 N ATOM 1199 CA VAL A 86 9.064 1.469 -7.254 1.00 0.00 C ATOM 1200 C VAL A 86 10.451 0.951 -6.890 1.00 0.00 C ATOM 1201 O VAL A 86 10.752 -0.229 -7.073 1.00 0.00 O ATOM 1202 CB VAL A 86 9.202 2.555 -8.337 1.00 0.00 C ATOM 1203 CG1 VAL A 86 10.051 2.051 -9.494 1.00 0.00 C ATOM 1204 CG2 VAL A 86 7.831 2.998 -8.825 1.00 0.00 C ATOM 0 H VAL A 86 8.052 2.944 -6.160 1.00 0.00 H new ATOM 0 HA VAL A 86 8.464 0.648 -7.647 1.00 0.00 H new ATOM 0 HB VAL A 86 9.703 3.418 -7.899 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.137 2.832 -10.249 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.044 1.788 -9.129 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.581 1.171 -9.934 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.948 3.766 -9.590 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.301 2.144 -9.246 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.260 3.403 -7.989 1.00 0.00 H new ATOM 1214 N ARG A 87 11.293 1.840 -6.374 1.00 0.00 N ATOM 1215 CA ARG A 87 12.649 1.473 -5.985 1.00 0.00 C ATOM 1216 C ARG A 87 12.637 0.282 -5.031 1.00 0.00 C ATOM 1217 O ARG A 87 13.471 -0.618 -5.135 1.00 0.00 O ATOM 1218 CB ARG A 87 13.353 2.660 -5.326 1.00 0.00 C ATOM 1219 CG ARG A 87 13.711 3.773 -6.298 1.00 0.00 C ATOM 1220 CD ARG A 87 14.599 4.819 -5.645 1.00 0.00 C ATOM 1221 NE ARG A 87 14.819 5.971 -6.515 1.00 0.00 N ATOM 1222 CZ ARG A 87 15.573 7.012 -6.180 1.00 0.00 C ATOM 1223 NH1 ARG A 87 16.177 7.045 -5.000 1.00 0.00 N ATOM 1224 NH2 ARG A 87 15.725 8.023 -7.026 1.00 0.00 N ATOM 0 H ARG A 87 11.060 2.820 -6.216 1.00 0.00 H new ATOM 0 HA ARG A 87 13.194 1.191 -6.886 1.00 0.00 H new ATOM 0 HB2 ARG A 87 12.710 3.065 -4.545 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.263 2.308 -4.840 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.221 3.351 -7.164 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.799 4.245 -6.664 1.00 0.00 H new ATOM 0 HD2 ARG A 87 14.142 5.151 -4.713 1.00 0.00 H new ATOM 0 HD3 ARG A 87 15.559 4.370 -5.388 1.00 0.00 H new ATOM 0 HE ARG A 87 14.369 5.977 -7.430 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.063 6.270 -4.347 1.00 0.00 H new ATOM 0 HH12 ARG A 87 16.755 7.846 -4.745 1.00 0.00 H new ATOM 0 HH21 ARG A 87 15.263 8.001 -7.935 1.00 0.00 H new ATOM 0 HH22 ARG A 87 16.304 8.822 -6.767 1.00 0.00 H new ATOM 1238 N LEU A 88 11.687 0.283 -4.103 1.00 0.00 N ATOM 1239 CA LEU A 88 11.566 -0.797 -3.130 1.00 0.00 C ATOM 1240 C LEU A 88 11.284 -2.126 -3.824 1.00 0.00 C ATOM 1241 O LEU A 88 12.019 -3.098 -3.648 1.00 0.00 O ATOM 1242 CB LEU A 88 10.452 -0.485 -2.128 1.00 0.00 C ATOM 1243 CG LEU A 88 10.499 -1.260 -0.811 1.00 0.00 C ATOM 1244 CD1 LEU A 88 9.541 -0.650 0.201 1.00 0.00 C ATOM 1245 CD2 LEU A 88 10.168 -2.727 -1.043 1.00 0.00 C ATOM 0 H LEU A 88 10.989 1.020 -4.004 1.00 0.00 H new ATOM 0 HA LEU A 88 12.513 -0.880 -2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.483 0.581 -1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.493 -0.681 -2.608 1.00 0.00 H new ATOM 0 HG LEU A 88 11.510 -1.195 -0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.588 -1.214 1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 88 9.823 0.386 0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.525 -0.684 -0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.206 -3.263 -0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.168 -2.812 -1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 88 10.893 -3.159 -1.733 1.00 0.00 H new ATOM 1257 N LEU A 89 10.217 -2.160 -4.614 1.00 0.00 N ATOM 1258 CA LEU A 89 9.838 -3.369 -5.337 1.00 0.00 C ATOM 1259 C LEU A 89 10.989 -3.867 -6.205 1.00 0.00 C ATOM 1260 O LEU A 89 11.279 -5.063 -6.243 1.00 0.00 O ATOM 1261 CB LEU A 89 8.607 -3.104 -6.205 1.00 0.00 C ATOM 1262 CG LEU A 89 7.334 -2.703 -5.460 1.00 0.00 C ATOM 1263 CD1 LEU A 89 6.279 -2.204 -6.435 1.00 0.00 C ATOM 1264 CD2 LEU A 89 6.800 -3.874 -4.647 1.00 0.00 C ATOM 0 H LEU A 89 9.599 -1.364 -4.770 1.00 0.00 H new ATOM 0 HA LEU A 89 9.599 -4.140 -4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.852 -2.315 -6.916 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.397 -4.002 -6.786 1.00 0.00 H new ATOM 0 HG LEU A 89 7.578 -1.892 -4.774 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.380 -1.923 -5.886 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.662 -1.336 -6.973 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.038 -2.994 -7.146 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.894 -3.570 -4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.572 -4.706 -5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.551 -4.186 -3.921 1.00 0.00 H new ATOM 1276 N ARG A 90 11.643 -2.941 -6.900 1.00 0.00 N ATOM 1277 CA ARG A 90 12.763 -3.286 -7.767 1.00 0.00 C ATOM 1278 C ARG A 90 13.931 -3.838 -6.953 1.00 0.00 C ATOM 1279 O ARG A 90 14.570 -4.812 -7.348 1.00 0.00 O ATOM 1280 CB ARG A 90 13.216 -2.060 -8.562 1.00 0.00 C ATOM 1281 CG ARG A 90 12.163 -1.535 -9.523 1.00 0.00 C ATOM 1282 CD ARG A 90 12.532 -0.159 -10.056 1.00 0.00 C ATOM 1283 NE ARG A 90 13.810 -0.170 -10.762 1.00 0.00 N ATOM 1284 CZ ARG A 90 14.349 0.906 -11.324 1.00 0.00 C ATOM 1285 NH1 ARG A 90 13.723 2.074 -11.263 1.00 0.00 N ATOM 1286 NH2 ARG A 90 15.516 0.817 -11.949 1.00 0.00 N ATOM 0 H ARG A 90 11.416 -1.947 -6.879 1.00 0.00 H new ATOM 0 HA ARG A 90 12.429 -4.058 -8.461 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.489 -1.267 -7.866 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.115 -2.314 -9.124 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.049 -2.230 -10.355 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.199 -1.484 -9.016 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.749 0.191 -10.729 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.581 0.549 -9.229 1.00 0.00 H new ATOM 0 HE ARG A 90 14.317 -1.053 -10.827 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.826 2.147 -10.784 1.00 0.00 H new ATOM 0 HH12 ARG A 90 14.139 2.899 -11.695 1.00 0.00 H new ATOM 0 HH21 ARG A 90 16.001 -0.079 -11.999 1.00 0.00 H new ATOM 0 HH22 ARG A 90 15.928 1.645 -12.380 1.00 0.00 H new