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= -0.0369 K(o=-0.037,f=-1.5) USER MOD Single : A 19 ASN : amide:sc= -0.555 K(o=-0.56,f=-1.8!) USER MOD Single : A 22 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.18) USER MOD Single : A 30 GLN : amide:sc= -6.95! C(o=-6.9!,f=-7.8!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.109 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= -0.0185 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 52 THR OG1 : rot -43:sc= 1.18 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 54 SER OG : rot 45:sc= 0.986 USER MOD Single : A 56 SER OG : rot -159:sc= 1.26 USER MOD Single : A 58 SER OG : rot -96:sc= 0.169 USER MOD Single : A 62 SER OG : rot 170:sc= 0 USER MOD Single : A 63 TYR OH : rot -144:sc= 0.691 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 161:sc= -4.04! (180deg=-5.53!) USER MOD ----------------------------------------------------------------- ATOM 87 N LEU A 10 1.745 -12.587 -4.920 1.00 0.00 N ATOM 88 CA LEU A 10 2.707 -11.675 -5.529 1.00 0.00 C ATOM 89 C LEU A 10 4.126 -11.994 -5.070 1.00 0.00 C ATOM 90 O LEU A 10 4.373 -12.199 -3.882 1.00 0.00 O ATOM 91 CB LEU A 10 2.359 -10.227 -5.180 1.00 0.00 C ATOM 92 CG LEU A 10 1.293 -9.563 -6.053 1.00 0.00 C ATOM 93 CD1 LEU A 10 0.892 -8.215 -5.474 1.00 0.00 C ATOM 94 CD2 LEU A 10 1.796 -9.404 -7.480 1.00 0.00 C ATOM 0 HA LEU A 10 2.657 -11.803 -6.610 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.023 -10.195 -4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.270 -9.631 -5.238 1.00 0.00 H new ATOM 0 HG LEU A 10 0.412 -10.205 -6.069 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.133 -7.758 -6.109 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.490 -8.355 -4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.766 -7.565 -5.427 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.025 -8.930 -8.087 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.692 -8.784 -7.483 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.032 -10.384 -7.894 1.00 0.00 H new ATOM 106 N SER A 11 5.055 -12.032 -6.019 1.00 0.00 N ATOM 107 CA SER A 11 6.450 -12.328 -5.713 1.00 0.00 C ATOM 108 C SER A 11 6.930 -11.506 -4.520 1.00 0.00 C ATOM 109 O SER A 11 7.911 -11.858 -3.863 1.00 0.00 O ATOM 110 CB SER A 11 7.333 -12.045 -6.930 1.00 0.00 C ATOM 111 OG SER A 11 6.924 -12.815 -8.047 1.00 0.00 O ATOM 0 H SER A 11 4.867 -11.861 -7.007 1.00 0.00 H new ATOM 0 HA SER A 11 6.524 -13.385 -5.458 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.286 -10.985 -7.178 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.372 -12.271 -6.690 1.00 0.00 H new ATOM 0 HG SER A 11 7.503 -12.615 -8.812 1.00 0.00 H new ATOM 117 N LEU A 12 6.231 -10.410 -4.246 1.00 0.00 N ATOM 118 CA LEU A 12 6.584 -9.537 -3.132 1.00 0.00 C ATOM 119 C LEU A 12 6.619 -10.314 -1.820 1.00 0.00 C ATOM 120 O LEU A 12 5.831 -11.235 -1.611 1.00 0.00 O ATOM 121 CB LEU A 12 5.586 -8.382 -3.027 1.00 0.00 C ATOM 122 CG LEU A 12 5.401 -7.539 -4.289 1.00 0.00 C ATOM 123 CD1 LEU A 12 4.009 -6.927 -4.322 1.00 0.00 C ATOM 124 CD2 LEU A 12 6.465 -6.453 -4.366 1.00 0.00 C ATOM 0 H LEU A 12 5.417 -10.105 -4.780 1.00 0.00 H new ATOM 0 HA LEU A 12 7.579 -9.134 -3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.617 -8.791 -2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.905 -7.724 -2.218 1.00 0.00 H new ATOM 0 HG LEU A 12 5.511 -8.189 -5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.895 -6.330 -5.227 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.262 -7.721 -4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.871 -6.290 -3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.318 -5.863 -5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.387 -5.805 -3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.453 -6.913 -4.390 1.00 0.00 H new ATOM 136 N GLY A 13 7.539 -9.935 -0.937 1.00 0.00 N ATOM 137 CA GLY A 13 7.658 -10.606 0.344 1.00 0.00 C ATOM 138 C GLY A 13 6.884 -9.902 1.441 1.00 0.00 C ATOM 139 O GLY A 13 6.184 -8.921 1.186 1.00 0.00 O ATOM 0 H GLY A 13 8.203 -9.176 -1.086 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.298 -11.630 0.249 1.00 0.00 H new ATOM 0 HA3 GLY A 13 8.710 -10.663 0.625 1.00 0.00 H new ATOM 143 N ASP A 14 7.006 -10.404 2.665 1.00 0.00 N ATOM 144 CA ASP A 14 6.312 -9.817 3.805 1.00 0.00 C ATOM 145 C ASP A 14 6.756 -8.375 4.029 1.00 0.00 C ATOM 146 O ASP A 14 5.928 -7.474 4.171 1.00 0.00 O ATOM 147 CB ASP A 14 6.568 -10.644 5.066 1.00 0.00 C ATOM 148 CG ASP A 14 6.116 -9.933 6.326 1.00 0.00 C ATOM 149 OD1 ASP A 14 4.981 -9.412 6.340 1.00 0.00 O ATOM 150 OD2 ASP A 14 6.898 -9.898 7.299 1.00 0.00 O ATOM 0 H ASP A 14 7.579 -11.216 2.893 1.00 0.00 H new ATOM 0 HA ASP A 14 5.244 -9.819 3.588 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.047 -11.598 4.984 1.00 0.00 H new ATOM 0 HB3 ASP A 14 7.632 -10.868 5.140 1.00 0.00 H new ATOM 155 N THR A 15 8.068 -8.163 4.059 1.00 0.00 N ATOM 156 CA THR A 15 8.622 -6.832 4.268 1.00 0.00 C ATOM 157 C THR A 15 8.213 -5.884 3.146 1.00 0.00 C ATOM 158 O THR A 15 7.782 -4.759 3.398 1.00 0.00 O ATOM 159 CB THR A 15 10.159 -6.871 4.357 1.00 0.00 C ATOM 160 OG1 THR A 15 10.564 -7.581 5.532 1.00 0.00 O ATOM 161 CG2 THR A 15 10.736 -5.463 4.385 1.00 0.00 C ATOM 0 H THR A 15 8.767 -8.897 3.941 1.00 0.00 H new ATOM 0 HA THR A 15 8.220 -6.467 5.213 1.00 0.00 H new ATOM 0 HB THR A 15 10.539 -7.385 3.474 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.543 -7.603 5.580 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.823 -5.516 4.448 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.451 -4.935 3.475 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.348 -4.928 5.252 1.00 0.00 H new ATOM 169 N ALA A 16 8.350 -6.346 1.908 1.00 0.00 N ATOM 170 CA ALA A 16 7.992 -5.540 0.748 1.00 0.00 C ATOM 171 C ALA A 16 6.542 -5.073 0.830 1.00 0.00 C ATOM 172 O ALA A 16 6.254 -3.883 0.693 1.00 0.00 O ATOM 173 CB ALA A 16 8.222 -6.327 -0.534 1.00 0.00 C ATOM 0 H ALA A 16 8.707 -7.275 1.683 1.00 0.00 H new ATOM 0 HA ALA A 16 8.632 -4.657 0.739 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.950 -5.712 -1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.273 -6.606 -0.606 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.608 -7.227 -0.524 1.00 0.00 H new ATOM 179 N LEU A 17 5.634 -6.016 1.053 1.00 0.00 N ATOM 180 CA LEU A 17 4.213 -5.701 1.153 1.00 0.00 C ATOM 181 C LEU A 17 3.936 -4.810 2.360 1.00 0.00 C ATOM 182 O LEU A 17 3.327 -3.749 2.233 1.00 0.00 O ATOM 183 CB LEU A 17 3.391 -6.987 1.255 1.00 0.00 C ATOM 184 CG LEU A 17 1.978 -6.929 0.672 1.00 0.00 C ATOM 185 CD1 LEU A 17 2.031 -6.752 -0.838 1.00 0.00 C ATOM 186 CD2 LEU A 17 1.199 -8.184 1.038 1.00 0.00 C ATOM 0 H LEU A 17 5.856 -7.005 1.168 1.00 0.00 H new ATOM 0 HA LEU A 17 3.922 -5.161 0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.938 -7.785 0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.317 -7.265 2.306 1.00 0.00 H new ATOM 0 HG LEU A 17 1.463 -6.069 1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.017 -6.713 -1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.551 -5.824 -1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.563 -7.592 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.196 -8.126 0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.711 -9.059 0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.131 -8.267 2.123 1.00 0.00 H new ATOM 198 N GLN A 18 4.390 -5.250 3.530 1.00 0.00 N ATOM 199 CA GLN A 18 4.192 -4.491 4.759 1.00 0.00 C ATOM 200 C GLN A 18 4.659 -3.049 4.590 1.00 0.00 C ATOM 201 O GLN A 18 3.973 -2.113 4.997 1.00 0.00 O ATOM 202 CB GLN A 18 4.943 -5.151 5.917 1.00 0.00 C ATOM 203 CG GLN A 18 4.138 -6.226 6.630 1.00 0.00 C ATOM 204 CD GLN A 18 3.253 -5.664 7.724 1.00 0.00 C ATOM 205 OE1 GLN A 18 3.163 -4.449 7.902 1.00 0.00 O ATOM 206 NE2 GLN A 18 2.593 -6.547 8.464 1.00 0.00 N ATOM 0 H GLN A 18 4.897 -6.127 3.652 1.00 0.00 H new ATOM 0 HA GLN A 18 3.126 -4.484 4.984 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.865 -5.591 5.537 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.229 -4.385 6.638 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.520 -6.753 5.903 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.820 -6.959 7.061 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.697 -7.545 8.281 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.982 -6.227 9.215 1.00 0.00 H new ATOM 215 N ASN A 19 5.832 -2.879 3.988 1.00 0.00 N ATOM 216 CA ASN A 19 6.392 -1.551 3.766 1.00 0.00 C ATOM 217 C ASN A 19 5.501 -0.734 2.836 1.00 0.00 C ATOM 218 O ASN A 19 4.970 0.308 3.223 1.00 0.00 O ATOM 219 CB ASN A 19 7.799 -1.660 3.177 1.00 0.00 C ATOM 220 CG ASN A 19 8.825 -2.093 4.207 1.00 0.00 C ATOM 221 OD1 ASN A 19 8.546 -2.115 5.406 1.00 0.00 O ATOM 222 ND2 ASN A 19 10.020 -2.438 3.743 1.00 0.00 N ATOM 0 H ASN A 19 6.413 -3.644 3.645 1.00 0.00 H new ATOM 0 HA ASN A 19 6.447 -1.041 4.728 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.791 -2.374 2.354 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.091 -0.696 2.760 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.751 -2.736 4.389 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.207 -2.405 2.741 1.00 0.00 H new ATOM 229 N LEU A 20 5.341 -1.213 1.607 1.00 0.00 N ATOM 230 CA LEU A 20 4.514 -0.527 0.620 1.00 0.00 C ATOM 231 C LEU A 20 3.178 -0.110 1.225 1.00 0.00 C ATOM 232 O LEU A 20 2.678 0.982 0.955 1.00 0.00 O ATOM 233 CB LEU A 20 4.278 -1.430 -0.592 1.00 0.00 C ATOM 234 CG LEU A 20 3.993 -0.718 -1.915 1.00 0.00 C ATOM 235 CD1 LEU A 20 2.623 -0.059 -1.882 1.00 0.00 C ATOM 236 CD2 LEU A 20 5.075 0.311 -2.210 1.00 0.00 C ATOM 0 H LEU A 20 5.773 -2.073 1.270 1.00 0.00 H new ATOM 0 HA LEU A 20 5.043 0.371 0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.156 -2.063 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.440 -2.090 -0.370 1.00 0.00 H new ATOM 0 HG LEU A 20 3.997 -1.460 -2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.438 0.443 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.858 -0.818 -1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.590 0.671 -1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.856 0.808 -3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.102 1.050 -1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.042 -0.187 -2.277 1.00 0.00 H new ATOM 248 N GLU A 21 2.606 -0.985 2.047 1.00 0.00 N ATOM 249 CA GLU A 21 1.329 -0.705 2.691 1.00 0.00 C ATOM 250 C GLU A 21 1.414 0.558 3.543 1.00 0.00 C ATOM 251 O GLU A 21 0.455 1.324 3.633 1.00 0.00 O ATOM 252 CB GLU A 21 0.899 -1.890 3.559 1.00 0.00 C ATOM 253 CG GLU A 21 0.368 -3.068 2.759 1.00 0.00 C ATOM 254 CD GLU A 21 0.115 -4.291 3.620 1.00 0.00 C ATOM 255 OE1 GLU A 21 -0.870 -4.284 4.387 1.00 0.00 O ATOM 256 OE2 GLU A 21 0.904 -5.255 3.527 1.00 0.00 O ATOM 0 H GLU A 21 3.007 -1.893 2.282 1.00 0.00 H new ATOM 0 HA GLU A 21 0.585 -0.547 1.910 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.749 -2.220 4.156 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.130 -1.559 4.257 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.559 -2.778 2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.082 -3.321 1.975 1.00 0.00 H new ATOM 263 N GLN A 22 2.569 0.767 4.167 1.00 0.00 N ATOM 264 CA GLN A 22 2.779 1.936 5.013 1.00 0.00 C ATOM 265 C GLN A 22 3.145 3.156 4.174 1.00 0.00 C ATOM 266 O GLN A 22 2.796 4.286 4.517 1.00 0.00 O ATOM 267 CB GLN A 22 3.880 1.658 6.038 1.00 0.00 C ATOM 268 CG GLN A 22 3.538 0.540 7.010 1.00 0.00 C ATOM 269 CD GLN A 22 2.188 0.734 7.671 1.00 0.00 C ATOM 270 OE1 GLN A 22 1.917 1.780 8.261 1.00 0.00 O ATOM 271 NE2 GLN A 22 1.331 -0.276 7.574 1.00 0.00 N ATOM 0 H GLN A 22 3.373 0.143 4.103 1.00 0.00 H new ATOM 0 HA GLN A 22 1.847 2.146 5.539 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.799 1.402 5.511 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.079 2.570 6.601 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.545 -0.412 6.480 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.309 0.483 7.778 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.598 -1.125 7.075 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.406 -0.203 7.998 1.00 0.00 H new ATOM 280 N LEU A 23 3.851 2.921 3.074 1.00 0.00 N ATOM 281 CA LEU A 23 4.265 4.001 2.185 1.00 0.00 C ATOM 282 C LEU A 23 3.054 4.743 1.628 1.00 0.00 C ATOM 283 O LEU A 23 2.994 5.973 1.668 1.00 0.00 O ATOM 284 CB LEU A 23 5.110 3.447 1.036 1.00 0.00 C ATOM 285 CG LEU A 23 6.615 3.354 1.294 1.00 0.00 C ATOM 286 CD1 LEU A 23 7.257 2.352 0.348 1.00 0.00 C ATOM 287 CD2 LEU A 23 7.267 4.721 1.149 1.00 0.00 C ATOM 0 H LEU A 23 4.149 1.992 2.776 1.00 0.00 H new ATOM 0 HA LEU A 23 4.865 4.704 2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.742 2.451 0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.950 4.074 0.159 1.00 0.00 H new ATOM 0 HG LEU A 23 6.768 3.008 2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.328 2.299 0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.811 1.369 0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.094 2.668 -0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.337 4.635 1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.104 5.096 0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.827 5.412 1.868 1.00 0.00 H new ATOM 299 N LEU A 24 2.091 3.989 1.113 1.00 0.00 N ATOM 300 CA LEU A 24 0.879 4.574 0.550 1.00 0.00 C ATOM 301 C LEU A 24 0.098 5.338 1.615 1.00 0.00 C ATOM 302 O LEU A 24 -0.854 6.055 1.306 1.00 0.00 O ATOM 303 CB LEU A 24 -0.003 3.483 -0.060 1.00 0.00 C ATOM 304 CG LEU A 24 0.405 2.990 -1.449 1.00 0.00 C ATOM 305 CD1 LEU A 24 -0.484 1.836 -1.888 1.00 0.00 C ATOM 306 CD2 LEU A 24 0.344 4.127 -2.458 1.00 0.00 C ATOM 0 H LEU A 24 2.125 2.970 1.073 1.00 0.00 H new ATOM 0 HA LEU A 24 1.173 5.274 -0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.013 2.630 0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.025 3.858 -0.115 1.00 0.00 H new ATOM 0 HG LEU A 24 1.433 2.631 -1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.179 1.498 -2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.389 1.014 -1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.522 2.168 -1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.638 3.758 -3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.673 4.517 -2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.023 4.922 -2.152 1.00 0.00 H new ATOM 318 N ASP A 25 0.509 5.181 2.868 1.00 0.00 N ATOM 319 CA ASP A 25 -0.150 5.859 3.979 1.00 0.00 C ATOM 320 C ASP A 25 0.866 6.603 4.841 1.00 0.00 C ATOM 321 O ASP A 25 1.532 6.008 5.687 1.00 0.00 O ATOM 322 CB ASP A 25 -0.921 4.852 4.833 1.00 0.00 C ATOM 323 CG ASP A 25 -2.350 4.667 4.361 1.00 0.00 C ATOM 324 OD1 ASP A 25 -3.210 5.490 4.737 1.00 0.00 O ATOM 325 OD2 ASP A 25 -2.609 3.697 3.617 1.00 0.00 O ATOM 0 H ASP A 25 1.295 4.591 3.140 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.850 6.585 3.566 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.407 3.891 4.810 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.924 5.187 5.870 1.00 0.00 H new ATOM 330 N GLY A 26 0.979 7.909 4.618 1.00 0.00 N ATOM 331 CA GLY A 26 1.916 8.713 5.381 1.00 0.00 C ATOM 332 C GLY A 26 2.024 10.131 4.857 1.00 0.00 C ATOM 333 O GLY A 26 1.573 10.444 3.755 1.00 0.00 O ATOM 0 H GLY A 26 0.439 8.424 3.923 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.603 8.738 6.425 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.899 8.243 5.354 1.00 0.00 H new ATOM 337 N PRO A 27 2.634 11.017 5.658 1.00 0.00 N ATOM 338 CA PRO A 27 2.813 12.425 5.290 1.00 0.00 C ATOM 339 C PRO A 27 3.821 12.605 4.160 1.00 0.00 C ATOM 340 O PRO A 27 3.592 13.378 3.231 1.00 0.00 O ATOM 341 CB PRO A 27 3.334 13.065 6.579 1.00 0.00 C ATOM 342 CG PRO A 27 3.985 11.948 7.320 1.00 0.00 C ATOM 343 CD PRO A 27 3.196 10.713 6.985 1.00 0.00 C ATOM 0 HA PRO A 27 1.889 12.870 4.920 1.00 0.00 H new ATOM 0 HB2 PRO A 27 4.043 13.865 6.365 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.523 13.505 7.159 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.028 11.838 7.022 1.00 0.00 H new ATOM 0 HG3 PRO A 27 3.978 12.136 8.394 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.829 9.826 6.960 1.00 0.00 H new ATOM 0 HD3 PRO A 27 2.413 10.525 7.720 1.00 0.00 H new ATOM 351 N GLU A 28 4.935 11.886 4.247 1.00 0.00 N ATOM 352 CA GLU A 28 5.978 11.968 3.231 1.00 0.00 C ATOM 353 C GLU A 28 5.506 11.352 1.917 1.00 0.00 C ATOM 354 O GLU A 28 5.800 11.866 0.838 1.00 0.00 O ATOM 355 CB GLU A 28 7.247 11.261 3.712 1.00 0.00 C ATOM 356 CG GLU A 28 8.520 11.803 3.085 1.00 0.00 C ATOM 357 CD GLU A 28 8.880 11.099 1.792 1.00 0.00 C ATOM 358 OE1 GLU A 28 8.469 9.933 1.616 1.00 0.00 O ATOM 359 OE2 GLU A 28 9.573 11.714 0.955 1.00 0.00 O ATOM 0 H GLU A 28 5.139 11.240 5.010 1.00 0.00 H new ATOM 0 HA GLU A 28 6.201 13.021 3.060 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.317 11.355 4.796 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.167 10.197 3.489 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.400 12.869 2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.342 11.698 3.793 1.00 0.00 H new ATOM 366 N ALA A 29 4.774 10.248 2.017 1.00 0.00 N ATOM 367 CA ALA A 29 4.260 9.562 0.837 1.00 0.00 C ATOM 368 C ALA A 29 3.913 10.555 -0.267 1.00 0.00 C ATOM 369 O ALA A 29 2.981 11.346 -0.131 1.00 0.00 O ATOM 370 CB ALA A 29 3.041 8.727 1.201 1.00 0.00 C ATOM 0 H ALA A 29 4.523 9.809 2.903 1.00 0.00 H new ATOM 0 HA ALA A 29 5.041 8.900 0.462 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.668 8.221 0.311 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.318 7.986 1.951 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.262 9.376 1.603 1.00 0.00 H new ATOM 376 N GLN A 30 4.670 10.507 -1.358 1.00 0.00 N ATOM 377 CA GLN A 30 4.443 11.404 -2.485 1.00 0.00 C ATOM 378 C GLN A 30 3.273 10.922 -3.337 1.00 0.00 C ATOM 379 O GLN A 30 3.354 10.900 -4.565 1.00 0.00 O ATOM 380 CB GLN A 30 5.705 11.510 -3.343 1.00 0.00 C ATOM 381 CG GLN A 30 6.950 11.875 -2.551 1.00 0.00 C ATOM 382 CD GLN A 30 7.484 10.713 -1.735 1.00 0.00 C ATOM 383 OE1 GLN A 30 7.763 10.853 -0.544 1.00 0.00 O ATOM 384 NE2 GLN A 30 7.628 9.558 -2.374 1.00 0.00 N ATOM 0 H GLN A 30 5.446 9.857 -1.486 1.00 0.00 H new ATOM 0 HA GLN A 30 4.199 12.390 -2.089 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.872 10.559 -3.848 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.545 12.259 -4.119 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.724 12.219 -3.237 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.721 12.707 -1.885 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.384 9.488 -3.362 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.983 8.741 -1.877 1.00 0.00 H new ATOM 393 N GLY A 31 2.186 10.536 -2.677 1.00 0.00 N ATOM 394 CA GLY A 31 1.015 10.058 -3.390 1.00 0.00 C ATOM 395 C GLY A 31 -0.025 9.461 -2.463 1.00 0.00 C ATOM 396 O GLY A 31 -0.310 10.014 -1.401 1.00 0.00 O ATOM 0 H GLY A 31 2.095 10.546 -1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.570 10.883 -3.946 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.319 9.308 -4.120 1.00 0.00 H new ATOM 400 N SER A 32 -0.595 8.330 -2.866 1.00 0.00 N ATOM 401 CA SER A 32 -1.614 7.660 -2.066 1.00 0.00 C ATOM 402 C SER A 32 -2.010 6.329 -2.696 1.00 0.00 C ATOM 403 O SER A 32 -1.527 5.969 -3.770 1.00 0.00 O ATOM 404 CB SER A 32 -2.846 8.555 -1.919 1.00 0.00 C ATOM 405 OG SER A 32 -3.773 7.999 -1.003 1.00 0.00 O ATOM 0 H SER A 32 -0.369 7.858 -3.742 1.00 0.00 H new ATOM 0 HA SER A 32 -1.196 7.464 -1.079 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.542 9.545 -1.578 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.323 8.685 -2.890 1.00 0.00 H new ATOM 0 HG SER A 32 -4.551 8.590 -0.925 1.00 0.00 H new ATOM 411 N TRP A 33 -2.893 5.602 -2.021 1.00 0.00 N ATOM 412 CA TRP A 33 -3.355 4.309 -2.514 1.00 0.00 C ATOM 413 C TRP A 33 -4.612 4.468 -3.363 1.00 0.00 C ATOM 414 O TRP A 33 -4.690 3.946 -4.474 1.00 0.00 O ATOM 415 CB TRP A 33 -3.632 3.363 -1.344 1.00 0.00 C ATOM 416 CG TRP A 33 -4.514 3.963 -0.291 1.00 0.00 C ATOM 417 CD1 TRP A 33 -4.124 4.747 0.757 1.00 0.00 C ATOM 418 CD2 TRP A 33 -5.935 3.825 -0.183 1.00 0.00 C ATOM 419 NE1 TRP A 33 -5.216 5.105 1.509 1.00 0.00 N ATOM 420 CE2 TRP A 33 -6.340 4.553 0.953 1.00 0.00 C ATOM 421 CE3 TRP A 33 -6.905 3.159 -0.937 1.00 0.00 C ATOM 422 CZ2 TRP A 33 -7.671 4.631 1.351 1.00 0.00 C ATOM 423 CZ3 TRP A 33 -8.227 3.237 -0.540 1.00 0.00 C ATOM 424 CH2 TRP A 33 -8.600 3.969 0.595 1.00 0.00 C ATOM 0 H TRP A 33 -3.303 5.885 -1.131 1.00 0.00 H new ATOM 0 HA TRP A 33 -2.569 3.884 -3.138 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -4.098 2.454 -1.724 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -2.685 3.070 -0.891 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -3.106 5.042 0.964 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -5.194 5.688 2.346 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -6.627 2.594 -1.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -7.961 5.194 2.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -8.985 2.725 -1.114 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -9.641 4.012 0.879 1.00 0.00 H new ATOM 435 N ALA A 34 -5.592 5.192 -2.832 1.00 0.00 N ATOM 436 CA ALA A 34 -6.843 5.421 -3.543 1.00 0.00 C ATOM 437 C ALA A 34 -6.589 5.747 -5.011 1.00 0.00 C ATOM 438 O ALA A 34 -7.274 5.237 -5.897 1.00 0.00 O ATOM 439 CB ALA A 34 -7.630 6.541 -2.880 1.00 0.00 C ATOM 0 H ALA A 34 -5.543 5.630 -1.912 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.430 4.504 -3.498 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.562 6.701 -3.422 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.852 6.268 -1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.040 7.458 -2.894 1.00 0.00 H new ATOM 445 N GLU A 35 -5.601 6.601 -5.260 1.00 0.00 N ATOM 446 CA GLU A 35 -5.258 6.996 -6.621 1.00 0.00 C ATOM 447 C GLU A 35 -4.659 5.824 -7.393 1.00 0.00 C ATOM 448 O GLU A 35 -5.198 5.399 -8.416 1.00 0.00 O ATOM 449 CB GLU A 35 -4.274 8.167 -6.604 1.00 0.00 C ATOM 450 CG GLU A 35 -4.223 8.939 -7.911 1.00 0.00 C ATOM 451 CD GLU A 35 -5.588 9.434 -8.350 1.00 0.00 C ATOM 452 OE1 GLU A 35 -6.286 10.059 -7.526 1.00 0.00 O ATOM 453 OE2 GLU A 35 -5.956 9.195 -9.520 1.00 0.00 O ATOM 0 H GLU A 35 -5.025 7.032 -4.537 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.174 7.309 -7.123 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.548 8.849 -5.799 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.277 7.790 -6.376 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.551 9.790 -7.800 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.804 8.301 -8.689 1.00 0.00 H new ATOM 460 N LEU A 36 -3.540 5.307 -6.897 1.00 0.00 N ATOM 461 CA LEU A 36 -2.866 4.184 -7.539 1.00 0.00 C ATOM 462 C LEU A 36 -3.865 3.101 -7.932 1.00 0.00 C ATOM 463 O LEU A 36 -3.839 2.596 -9.054 1.00 0.00 O ATOM 464 CB LEU A 36 -1.803 3.601 -6.606 1.00 0.00 C ATOM 465 CG LEU A 36 -1.319 2.189 -6.940 1.00 0.00 C ATOM 466 CD1 LEU A 36 -0.543 2.187 -8.248 1.00 0.00 C ATOM 467 CD2 LEU A 36 -0.464 1.637 -5.809 1.00 0.00 C ATOM 0 H LEU A 36 -3.081 5.648 -6.052 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.383 4.551 -8.445 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.941 4.269 -6.607 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.202 3.597 -5.591 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.190 1.545 -7.057 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.206 1.174 -8.470 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.187 2.540 -9.054 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.321 2.845 -8.159 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.128 0.632 -6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.402 2.282 -5.660 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.052 1.602 -4.892 1.00 0.00 H new ATOM 479 N ALA A 37 -4.746 2.750 -7.001 1.00 0.00 N ATOM 480 CA ALA A 37 -5.756 1.730 -7.251 1.00 0.00 C ATOM 481 C ALA A 37 -6.494 1.997 -8.559 1.00 0.00 C ATOM 482 O ALA A 37 -6.716 1.084 -9.353 1.00 0.00 O ATOM 483 CB ALA A 37 -6.740 1.666 -6.092 1.00 0.00 C ATOM 0 H ALA A 37 -4.780 3.157 -6.067 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.251 0.768 -7.338 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.489 0.900 -6.292 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.206 1.420 -5.174 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.231 2.632 -5.978 1.00 0.00 H new ATOM 489 N GLU A 38 -6.871 3.253 -8.774 1.00 0.00 N ATOM 490 CA GLU A 38 -7.585 3.638 -9.986 1.00 0.00 C ATOM 491 C GLU A 38 -6.806 3.226 -11.231 1.00 0.00 C ATOM 492 O GLU A 38 -7.294 2.452 -12.055 1.00 0.00 O ATOM 493 CB GLU A 38 -7.831 5.148 -10.002 1.00 0.00 C ATOM 494 CG GLU A 38 -8.631 5.647 -8.810 1.00 0.00 C ATOM 495 CD GLU A 38 -9.331 6.963 -9.087 1.00 0.00 C ATOM 496 OE1 GLU A 38 -8.823 7.741 -9.922 1.00 0.00 O ATOM 497 OE2 GLU A 38 -10.388 7.215 -8.471 1.00 0.00 O ATOM 0 H GLU A 38 -6.694 4.021 -8.126 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.544 3.121 -9.991 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.871 5.664 -10.026 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.358 5.412 -10.919 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.372 4.897 -8.535 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.966 5.767 -7.955 1.00 0.00 H new ATOM 504 N ARG A 39 -5.591 3.749 -11.362 1.00 0.00 N ATOM 505 CA ARG A 39 -4.744 3.437 -12.507 1.00 0.00 C ATOM 506 C ARG A 39 -4.712 1.934 -12.767 1.00 0.00 C ATOM 507 O ARG A 39 -4.748 1.490 -13.915 1.00 0.00 O ATOM 508 CB ARG A 39 -3.323 3.955 -12.274 1.00 0.00 C ATOM 509 CG ARG A 39 -3.114 5.388 -12.737 1.00 0.00 C ATOM 510 CD ARG A 39 -2.023 6.079 -11.934 1.00 0.00 C ATOM 511 NE ARG A 39 -2.207 7.527 -11.895 1.00 0.00 N ATOM 512 CZ ARG A 39 -3.257 8.120 -11.338 1.00 0.00 C ATOM 513 NH1 ARG A 39 -4.213 7.392 -10.776 1.00 0.00 N ATOM 514 NH2 ARG A 39 -3.353 9.444 -11.342 1.00 0.00 N ATOM 0 H ARG A 39 -5.171 4.391 -10.689 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.165 3.931 -13.383 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.090 3.888 -11.211 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.619 3.307 -12.796 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.849 5.395 -13.794 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.047 5.943 -12.639 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.018 5.687 -10.917 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.051 5.849 -12.370 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.490 8.116 -12.319 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.143 6.374 -10.771 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.018 7.850 -10.349 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.620 10.007 -11.773 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.160 9.898 -10.914 1.00 0.00 H new ATOM 528 N LEU A 40 -4.644 1.155 -11.693 1.00 0.00 N ATOM 529 CA LEU A 40 -4.607 -0.299 -11.804 1.00 0.00 C ATOM 530 C LEU A 40 -5.937 -0.840 -12.318 1.00 0.00 C ATOM 531 O LEU A 40 -5.976 -1.828 -13.050 1.00 0.00 O ATOM 532 CB LEU A 40 -4.278 -0.926 -10.447 1.00 0.00 C ATOM 533 CG LEU A 40 -2.921 -0.555 -9.848 1.00 0.00 C ATOM 534 CD1 LEU A 40 -2.798 -1.096 -8.432 1.00 0.00 C ATOM 535 CD2 LEU A 40 -1.791 -1.080 -10.722 1.00 0.00 C ATOM 0 H LEU A 40 -4.613 1.506 -10.736 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.828 -0.564 -12.518 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.056 -0.640 -9.739 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.323 -2.010 -10.550 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.847 0.532 -9.808 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.826 -0.823 -8.021 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.587 -0.672 -7.811 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.893 -2.182 -8.448 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.833 -0.807 -10.281 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.861 -2.165 -10.794 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.869 -0.644 -11.718 1.00 0.00 H new ATOM 547 N GLY A 41 -7.027 -0.184 -11.930 1.00 0.00 N ATOM 548 CA GLY A 41 -8.344 -0.613 -12.363 1.00 0.00 C ATOM 549 C GLY A 41 -9.221 -1.048 -11.206 1.00 0.00 C ATOM 550 O GLY A 41 -10.162 -1.822 -11.387 1.00 0.00 O ATOM 0 H GLY A 41 -7.021 0.636 -11.324 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.831 0.203 -12.897 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.241 -1.439 -13.067 1.00 0.00 H new ATOM 554 N LEU A 42 -8.914 -0.551 -10.013 1.00 0.00 N ATOM 555 CA LEU A 42 -9.680 -0.894 -8.821 1.00 0.00 C ATOM 556 C LEU A 42 -10.141 0.363 -8.089 1.00 0.00 C ATOM 557 O LEU A 42 -9.927 0.506 -6.885 1.00 0.00 O ATOM 558 CB LEU A 42 -8.841 -1.765 -7.884 1.00 0.00 C ATOM 559 CG LEU A 42 -7.944 -2.804 -8.557 1.00 0.00 C ATOM 560 CD1 LEU A 42 -6.767 -3.154 -7.660 1.00 0.00 C ATOM 561 CD2 LEU A 42 -8.742 -4.052 -8.905 1.00 0.00 C ATOM 0 H LEU A 42 -8.139 0.091 -9.846 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.561 -1.453 -9.135 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.214 -1.112 -7.277 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.515 -2.283 -7.202 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.555 -2.377 -9.481 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.140 -3.895 -8.156 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.181 -2.256 -7.462 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.136 -3.562 -6.719 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.088 -4.781 -9.383 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.160 -4.482 -7.995 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.551 -3.788 -9.587 1.00 0.00 H new ATOM 573 N ARG A 43 -10.776 1.270 -8.824 1.00 0.00 N ATOM 574 CA ARG A 43 -11.268 2.514 -8.245 1.00 0.00 C ATOM 575 C ARG A 43 -12.586 2.287 -7.509 1.00 0.00 C ATOM 576 O ARG A 43 -12.809 2.839 -6.431 1.00 0.00 O ATOM 577 CB ARG A 43 -11.456 3.570 -9.336 1.00 0.00 C ATOM 578 CG ARG A 43 -12.630 3.290 -10.259 1.00 0.00 C ATOM 579 CD ARG A 43 -12.464 3.989 -11.599 1.00 0.00 C ATOM 580 NE ARG A 43 -13.315 3.402 -12.631 1.00 0.00 N ATOM 581 CZ ARG A 43 -13.373 3.854 -13.879 1.00 0.00 C ATOM 582 NH1 ARG A 43 -12.635 4.892 -14.248 1.00 0.00 N ATOM 583 NH2 ARG A 43 -14.171 3.266 -14.762 1.00 0.00 N ATOM 0 H ARG A 43 -10.962 1.167 -9.822 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.528 2.870 -7.528 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.598 4.544 -8.867 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.544 3.632 -9.930 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.722 2.215 -10.417 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.554 3.623 -9.786 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.705 5.046 -11.489 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.422 3.930 -11.912 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.896 2.602 -12.380 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.020 5.346 -13.573 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.682 5.236 -15.207 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.740 2.467 -14.482 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.215 3.613 -15.720 1.00 0.00 H new ATOM 597 N SER A 44 -13.455 1.473 -8.099 1.00 0.00 N ATOM 598 CA SER A 44 -14.752 1.177 -7.502 1.00 0.00 C ATOM 599 C SER A 44 -14.586 0.409 -6.195 1.00 0.00 C ATOM 600 O SER A 44 -15.380 0.563 -5.265 1.00 0.00 O ATOM 601 CB SER A 44 -15.613 0.369 -8.476 1.00 0.00 C ATOM 602 OG SER A 44 -16.986 0.457 -8.137 1.00 0.00 O ATOM 0 H SER A 44 -13.285 1.007 -8.990 1.00 0.00 H new ATOM 0 HA SER A 44 -15.249 2.123 -7.287 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.462 0.736 -9.491 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.299 -0.675 -8.465 1.00 0.00 H new ATOM 0 HG SER A 44 -17.515 -0.066 -8.775 1.00 0.00 H new ATOM 608 N LEU A 45 -13.549 -0.418 -6.130 1.00 0.00 N ATOM 609 CA LEU A 45 -13.276 -1.212 -4.936 1.00 0.00 C ATOM 610 C LEU A 45 -12.633 -0.356 -3.849 1.00 0.00 C ATOM 611 O LEU A 45 -12.518 -0.779 -2.699 1.00 0.00 O ATOM 612 CB LEU A 45 -12.364 -2.390 -5.280 1.00 0.00 C ATOM 613 CG LEU A 45 -12.888 -3.357 -6.343 1.00 0.00 C ATOM 614 CD1 LEU A 45 -11.737 -4.109 -6.994 1.00 0.00 C ATOM 615 CD2 LEU A 45 -13.886 -4.329 -5.733 1.00 0.00 C ATOM 0 H LEU A 45 -12.883 -0.557 -6.890 1.00 0.00 H new ATOM 0 HA LEU A 45 -14.225 -1.594 -4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.406 -1.995 -5.618 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -12.173 -2.954 -4.367 1.00 0.00 H new ATOM 0 HG LEU A 45 -13.399 -2.779 -7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.129 -4.792 -7.748 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.059 -3.398 -7.466 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.198 -4.676 -6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -14.249 -5.010 -6.503 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -13.400 -4.901 -4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -14.726 -3.774 -5.315 1.00 0.00 H new ATOM 627 N VAL A 46 -12.218 0.850 -4.221 1.00 0.00 N ATOM 628 CA VAL A 46 -11.589 1.767 -3.277 1.00 0.00 C ATOM 629 C VAL A 46 -12.387 1.853 -1.981 1.00 0.00 C ATOM 630 O VAL A 46 -11.864 2.263 -0.944 1.00 0.00 O ATOM 631 CB VAL A 46 -11.449 3.179 -3.875 1.00 0.00 C ATOM 632 CG1 VAL A 46 -11.034 4.175 -2.802 1.00 0.00 C ATOM 633 CG2 VAL A 46 -10.452 3.174 -5.024 1.00 0.00 C ATOM 0 H VAL A 46 -12.306 1.215 -5.169 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.596 1.371 -3.064 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.419 3.487 -4.267 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.940 5.167 -3.243 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.788 4.198 -2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.076 3.875 -2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.365 4.180 -5.435 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.479 2.846 -4.660 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.797 2.493 -5.802 1.00 0.00 H new ATOM 643 N ASP A 47 -13.655 1.462 -2.046 1.00 0.00 N ATOM 644 CA ASP A 47 -14.526 1.493 -0.876 1.00 0.00 C ATOM 645 C ASP A 47 -14.411 0.198 -0.079 1.00 0.00 C ATOM 646 O ASP A 47 -14.546 0.194 1.145 1.00 0.00 O ATOM 647 CB ASP A 47 -15.978 1.719 -1.301 1.00 0.00 C ATOM 648 CG ASP A 47 -16.186 3.070 -1.955 1.00 0.00 C ATOM 649 OD1 ASP A 47 -15.584 3.312 -3.023 1.00 0.00 O ATOM 650 OD2 ASP A 47 -16.952 3.886 -1.401 1.00 0.00 O ATOM 0 H ASP A 47 -14.103 1.120 -2.896 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.210 2.319 -0.239 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.277 0.933 -1.994 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -16.626 1.637 -0.428 1.00 0.00 H new ATOM 655 N THR A 48 -14.162 -0.903 -0.781 1.00 0.00 N ATOM 656 CA THR A 48 -14.031 -2.206 -0.140 1.00 0.00 C ATOM 657 C THR A 48 -12.900 -2.204 0.882 1.00 0.00 C ATOM 658 O THR A 48 -12.976 -2.883 1.907 1.00 0.00 O ATOM 659 CB THR A 48 -13.772 -3.318 -1.174 1.00 0.00 C ATOM 660 OG1 THR A 48 -14.234 -4.575 -0.668 1.00 0.00 O ATOM 661 CG2 THR A 48 -12.290 -3.413 -1.506 1.00 0.00 C ATOM 0 H THR A 48 -14.047 -0.918 -1.794 1.00 0.00 H new ATOM 0 HA THR A 48 -14.975 -2.405 0.367 1.00 0.00 H new ATOM 0 HB THR A 48 -14.318 -3.071 -2.085 1.00 0.00 H new ATOM 0 HG1 THR A 48 -14.067 -5.276 -1.332 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.131 -4.205 -2.238 1.00 0.00 H new ATOM 0 HG22 THR A 48 -11.948 -2.464 -1.918 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.728 -3.639 -0.600 1.00 0.00 H new ATOM 669 N TYR A 49 -11.853 -1.438 0.598 1.00 0.00 N ATOM 670 CA TYR A 49 -10.705 -1.351 1.492 1.00 0.00 C ATOM 671 C TYR A 49 -10.893 -0.231 2.512 1.00 0.00 C ATOM 672 O TYR A 49 -10.770 -0.447 3.717 1.00 0.00 O ATOM 673 CB TYR A 49 -9.424 -1.115 0.690 1.00 0.00 C ATOM 674 CG TYR A 49 -9.327 -1.962 -0.558 1.00 0.00 C ATOM 675 CD1 TYR A 49 -9.334 -3.350 -0.482 1.00 0.00 C ATOM 676 CD2 TYR A 49 -9.227 -1.376 -1.814 1.00 0.00 C ATOM 677 CE1 TYR A 49 -9.245 -4.128 -1.620 1.00 0.00 C ATOM 678 CE2 TYR A 49 -9.139 -2.146 -2.957 1.00 0.00 C ATOM 679 CZ TYR A 49 -9.148 -3.522 -2.855 1.00 0.00 C ATOM 680 OH TYR A 49 -9.059 -4.292 -3.992 1.00 0.00 O ATOM 0 H TYR A 49 -11.776 -0.868 -0.244 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.621 -2.297 2.028 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.369 -0.063 0.410 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.564 -1.321 1.327 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.410 -3.828 0.483 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.218 -0.299 -1.898 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.251 -5.205 -1.543 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.064 -1.674 -3.925 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.998 -3.709 -4.778 1.00 0.00 H new ATOM 690 N ARG A 50 -11.193 0.966 2.018 1.00 0.00 N ATOM 691 CA ARG A 50 -11.398 2.120 2.884 1.00 0.00 C ATOM 692 C ARG A 50 -12.305 1.765 4.058 1.00 0.00 C ATOM 693 O ARG A 50 -12.280 2.425 5.096 1.00 0.00 O ATOM 694 CB ARG A 50 -12.003 3.279 2.090 1.00 0.00 C ATOM 695 CG ARG A 50 -13.523 3.270 2.062 1.00 0.00 C ATOM 696 CD ARG A 50 -14.107 3.972 3.278 1.00 0.00 C ATOM 697 NE ARG A 50 -15.424 4.540 3.002 1.00 0.00 N ATOM 698 CZ ARG A 50 -15.615 5.626 2.262 1.00 0.00 C ATOM 699 NH1 ARG A 50 -14.580 6.258 1.726 1.00 0.00 N ATOM 700 NH2 ARG A 50 -16.844 6.082 2.056 1.00 0.00 N ATOM 0 H ARG A 50 -11.299 1.161 1.023 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.428 2.425 3.277 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.661 4.220 2.520 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.629 3.242 1.067 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.874 3.760 1.154 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.881 2.241 2.028 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.183 3.264 4.103 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.431 4.764 3.599 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.242 4.077 3.399 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.634 5.910 1.882 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.730 7.092 1.158 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.643 5.598 2.466 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -16.990 6.916 1.488 1.00 0.00 H new ATOM 714 N GLN A 51 -13.105 0.717 3.885 1.00 0.00 N ATOM 715 CA GLN A 51 -14.021 0.276 4.930 1.00 0.00 C ATOM 716 C GLN A 51 -13.324 -0.672 5.900 1.00 0.00 C ATOM 717 O GLN A 51 -13.634 -0.697 7.092 1.00 0.00 O ATOM 718 CB GLN A 51 -15.239 -0.414 4.311 1.00 0.00 C ATOM 719 CG GLN A 51 -16.203 0.546 3.634 1.00 0.00 C ATOM 720 CD GLN A 51 -17.296 -0.169 2.865 1.00 0.00 C ATOM 721 OE1 GLN A 51 -17.478 0.055 1.668 1.00 0.00 O ATOM 722 NE2 GLN A 51 -18.031 -1.037 3.550 1.00 0.00 N ATOM 0 H GLN A 51 -13.137 0.159 3.032 1.00 0.00 H new ATOM 0 HA GLN A 51 -14.352 1.155 5.484 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.898 -1.148 3.581 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -15.771 -0.961 5.089 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -16.656 1.191 4.387 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -15.648 1.192 2.953 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -17.846 -1.192 4.541 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -18.781 -1.549 3.085 1.00 0.00 H new ATOM 731 N THR A 52 -12.380 -1.452 5.383 1.00 0.00 N ATOM 732 CA THR A 52 -11.639 -2.402 6.203 1.00 0.00 C ATOM 733 C THR A 52 -10.607 -1.692 7.071 1.00 0.00 C ATOM 734 O THR A 52 -10.310 -0.515 6.864 1.00 0.00 O ATOM 735 CB THR A 52 -10.925 -3.456 5.335 1.00 0.00 C ATOM 736 OG1 THR A 52 -9.805 -2.864 4.668 1.00 0.00 O ATOM 737 CG2 THR A 52 -11.879 -4.048 4.309 1.00 0.00 C ATOM 0 H THR A 52 -12.110 -1.444 4.399 1.00 0.00 H new ATOM 0 HA THR A 52 -12.366 -2.901 6.843 1.00 0.00 H new ATOM 0 HB THR A 52 -10.576 -4.257 5.987 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.062 -1.988 4.311 1.00 0.00 H new ATOM 0 HG21 THR A 52 -11.353 -4.789 3.708 1.00 0.00 H new ATOM 0 HG22 THR A 52 -12.715 -4.524 4.822 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.254 -3.256 3.661 1.00 0.00 H new ATOM 745 N THR A 53 -10.062 -2.414 8.045 1.00 0.00 N ATOM 746 CA THR A 53 -9.063 -1.853 8.946 1.00 0.00 C ATOM 747 C THR A 53 -7.713 -1.713 8.251 1.00 0.00 C ATOM 748 O THR A 53 -7.031 -0.699 8.398 1.00 0.00 O ATOM 749 CB THR A 53 -8.892 -2.722 10.206 1.00 0.00 C ATOM 750 OG1 THR A 53 -8.007 -3.813 9.932 1.00 0.00 O ATOM 751 CG2 THR A 53 -10.234 -3.257 10.681 1.00 0.00 C ATOM 0 H THR A 53 -10.296 -3.389 8.230 1.00 0.00 H new ATOM 0 HA THR A 53 -9.421 -0.866 9.240 1.00 0.00 H new ATOM 0 HB THR A 53 -8.468 -2.100 10.994 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.902 -4.360 10.739 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.088 -3.868 11.572 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.895 -2.423 10.917 1.00 0.00 H new ATOM 0 HG23 THR A 53 -10.683 -3.864 9.895 1.00 0.00 H new ATOM 759 N SER A 54 -7.333 -2.738 7.495 1.00 0.00 N ATOM 760 CA SER A 54 -6.063 -2.730 6.780 1.00 0.00 C ATOM 761 C SER A 54 -6.288 -2.737 5.271 1.00 0.00 C ATOM 762 O SER A 54 -6.154 -3.761 4.601 1.00 0.00 O ATOM 763 CB SER A 54 -5.218 -3.939 7.185 1.00 0.00 C ATOM 764 OG SER A 54 -5.837 -5.151 6.788 1.00 0.00 O ATOM 0 H SER A 54 -7.887 -3.584 7.362 1.00 0.00 H new ATOM 0 HA SER A 54 -5.531 -1.817 7.047 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.231 -3.865 6.729 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.072 -3.939 8.265 1.00 0.00 H new ATOM 0 HG SER A 54 -6.164 -5.065 5.868 1.00 0.00 H new ATOM 770 N PRO A 55 -6.641 -1.565 4.721 1.00 0.00 N ATOM 771 CA PRO A 55 -6.893 -1.407 3.286 1.00 0.00 C ATOM 772 C PRO A 55 -5.618 -1.524 2.457 1.00 0.00 C ATOM 773 O PRO A 55 -5.634 -2.056 1.347 1.00 0.00 O ATOM 774 CB PRO A 55 -7.471 0.006 3.180 1.00 0.00 C ATOM 775 CG PRO A 55 -6.933 0.725 4.368 1.00 0.00 C ATOM 776 CD PRO A 55 -6.820 -0.303 5.459 1.00 0.00 C ATOM 0 HA PRO A 55 -7.555 -2.183 2.901 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.166 0.490 2.252 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.561 -0.010 3.187 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -5.962 1.169 4.148 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.596 1.538 4.665 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.976 -0.099 6.117 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.713 -0.326 6.084 1.00 0.00 H new ATOM 784 N SER A 56 -4.514 -1.024 3.004 1.00 0.00 N ATOM 785 CA SER A 56 -3.231 -1.070 2.314 1.00 0.00 C ATOM 786 C SER A 56 -2.904 -2.492 1.868 1.00 0.00 C ATOM 787 O SER A 56 -2.463 -2.715 0.741 1.00 0.00 O ATOM 788 CB SER A 56 -2.120 -0.540 3.222 1.00 0.00 C ATOM 789 OG SER A 56 -2.151 0.875 3.295 1.00 0.00 O ATOM 0 H SER A 56 -4.483 -0.583 3.923 1.00 0.00 H new ATOM 0 HA SER A 56 -3.300 -0.437 1.429 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.231 -0.961 4.221 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.151 -0.866 2.844 1.00 0.00 H new ATOM 0 HG SER A 56 -1.275 1.207 3.581 1.00 0.00 H new ATOM 795 N GLY A 57 -3.124 -3.451 2.762 1.00 0.00 N ATOM 796 CA GLY A 57 -2.848 -4.840 2.443 1.00 0.00 C ATOM 797 C GLY A 57 -3.840 -5.416 1.453 1.00 0.00 C ATOM 798 O GLY A 57 -3.460 -5.860 0.370 1.00 0.00 O ATOM 0 H GLY A 57 -3.488 -3.291 3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.841 -4.922 2.033 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.869 -5.431 3.359 1.00 0.00 H new ATOM 802 N SER A 58 -5.116 -5.411 1.826 1.00 0.00 N ATOM 803 CA SER A 58 -6.166 -5.943 0.965 1.00 0.00 C ATOM 804 C SER A 58 -6.097 -5.318 -0.425 1.00 0.00 C ATOM 805 O SER A 58 -6.512 -5.924 -1.413 1.00 0.00 O ATOM 806 CB SER A 58 -7.541 -5.686 1.584 1.00 0.00 C ATOM 807 OG SER A 58 -8.550 -6.416 0.906 1.00 0.00 O ATOM 0 H SER A 58 -5.447 -5.045 2.718 1.00 0.00 H new ATOM 0 HA SER A 58 -6.014 -7.018 0.869 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.528 -5.969 2.637 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.769 -4.621 1.543 1.00 0.00 H new ATOM 0 HG SER A 58 -8.978 -5.840 0.239 1.00 0.00 H new ATOM 813 N LEU A 59 -5.569 -4.100 -0.494 1.00 0.00 N ATOM 814 CA LEU A 59 -5.444 -3.391 -1.762 1.00 0.00 C ATOM 815 C LEU A 59 -4.617 -4.197 -2.758 1.00 0.00 C ATOM 816 O LEU A 59 -5.121 -4.627 -3.796 1.00 0.00 O ATOM 817 CB LEU A 59 -4.804 -2.020 -1.541 1.00 0.00 C ATOM 818 CG LEU A 59 -4.444 -1.235 -2.804 1.00 0.00 C ATOM 819 CD1 LEU A 59 -5.612 -1.228 -3.778 1.00 0.00 C ATOM 820 CD2 LEU A 59 -4.035 0.187 -2.450 1.00 0.00 C ATOM 0 H LEU A 59 -5.221 -3.584 0.314 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.444 -3.256 -2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.486 -1.415 -0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.898 -2.155 -0.951 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.598 -1.726 -3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.338 -0.665 -4.670 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.860 -2.252 -4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.477 -0.761 -3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.782 0.730 -3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.861 0.688 -1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.168 0.163 -1.790 1.00 0.00 H new ATOM 832 N LEU A 60 -3.345 -4.400 -2.435 1.00 0.00 N ATOM 833 CA LEU A 60 -2.447 -5.157 -3.300 1.00 0.00 C ATOM 834 C LEU A 60 -2.885 -6.615 -3.397 1.00 0.00 C ATOM 835 O LEU A 60 -2.708 -7.259 -4.432 1.00 0.00 O ATOM 836 CB LEU A 60 -1.013 -5.079 -2.773 1.00 0.00 C ATOM 837 CG LEU A 60 -0.387 -3.684 -2.735 1.00 0.00 C ATOM 838 CD1 LEU A 60 0.628 -3.584 -1.607 1.00 0.00 C ATOM 839 CD2 LEU A 60 0.263 -3.354 -4.071 1.00 0.00 C ATOM 0 H LEU A 60 -2.912 -4.051 -1.580 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.486 -4.717 -4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.995 -5.491 -1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.385 -5.721 -3.391 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.178 -2.957 -2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.063 -2.584 -1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.134 -3.775 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.417 -4.321 -1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.703 -2.358 -4.025 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.042 -4.085 -4.287 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.490 -3.382 -4.859 1.00 0.00 H new ATOM 851 N ARG A 61 -3.460 -7.128 -2.315 1.00 0.00 N ATOM 852 CA ARG A 61 -3.925 -8.510 -2.279 1.00 0.00 C ATOM 853 C ARG A 61 -4.886 -8.790 -3.430 1.00 0.00 C ATOM 854 O ARG A 61 -5.024 -9.930 -3.874 1.00 0.00 O ATOM 855 CB ARG A 61 -4.612 -8.804 -0.944 1.00 0.00 C ATOM 856 CG ARG A 61 -3.644 -8.968 0.216 1.00 0.00 C ATOM 857 CD ARG A 61 -2.907 -10.296 0.144 1.00 0.00 C ATOM 858 NE ARG A 61 -2.080 -10.528 1.325 1.00 0.00 N ATOM 859 CZ ARG A 61 -2.547 -11.035 2.461 1.00 0.00 C ATOM 860 NH1 ARG A 61 -3.827 -11.361 2.568 1.00 0.00 N ATOM 861 NH2 ARG A 61 -1.732 -11.217 3.492 1.00 0.00 N ATOM 0 H ARG A 61 -3.615 -6.608 -1.451 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.058 -9.162 -2.385 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.305 -7.994 -0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.205 -9.713 -1.043 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.924 -8.150 0.208 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.189 -8.904 1.158 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.629 -11.106 0.042 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.280 -10.314 -0.747 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.090 -10.288 1.275 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.456 -11.223 1.777 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.183 -11.750 3.441 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.746 -10.968 3.413 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.091 -11.606 4.364 1.00 0.00 H new ATOM 875 N SER A 62 -5.549 -7.742 -3.909 1.00 0.00 N ATOM 876 CA SER A 62 -6.501 -7.876 -5.006 1.00 0.00 C ATOM 877 C SER A 62 -5.810 -7.676 -6.352 1.00 0.00 C ATOM 878 O SER A 62 -5.971 -8.481 -7.270 1.00 0.00 O ATOM 879 CB SER A 62 -7.638 -6.864 -4.849 1.00 0.00 C ATOM 880 OG SER A 62 -8.823 -7.329 -5.471 1.00 0.00 O ATOM 0 H SER A 62 -5.445 -6.791 -3.555 1.00 0.00 H new ATOM 0 HA SER A 62 -6.914 -8.884 -4.975 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.826 -6.684 -3.790 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.344 -5.910 -5.287 1.00 0.00 H new ATOM 0 HG SER A 62 -9.572 -6.748 -5.222 1.00 0.00 H new ATOM 886 N TYR A 63 -5.041 -6.599 -6.461 1.00 0.00 N ATOM 887 CA TYR A 63 -4.327 -6.291 -7.694 1.00 0.00 C ATOM 888 C TYR A 63 -3.671 -7.542 -8.271 1.00 0.00 C ATOM 889 O TYR A 63 -3.401 -7.618 -9.469 1.00 0.00 O ATOM 890 CB TYR A 63 -3.267 -5.217 -7.441 1.00 0.00 C ATOM 891 CG TYR A 63 -2.436 -4.887 -8.659 1.00 0.00 C ATOM 892 CD1 TYR A 63 -3.022 -4.349 -9.799 1.00 0.00 C ATOM 893 CD2 TYR A 63 -1.065 -5.113 -8.672 1.00 0.00 C ATOM 894 CE1 TYR A 63 -2.266 -4.046 -10.915 1.00 0.00 C ATOM 895 CE2 TYR A 63 -0.302 -4.812 -9.783 1.00 0.00 C ATOM 896 CZ TYR A 63 -0.907 -4.279 -10.903 1.00 0.00 C ATOM 897 OH TYR A 63 -0.150 -3.980 -12.012 1.00 0.00 O ATOM 0 H TYR A 63 -4.896 -5.924 -5.710 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.050 -5.915 -8.417 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.758 -4.309 -7.090 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.607 -5.552 -6.641 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.086 -4.165 -9.813 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.588 -5.531 -7.798 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.737 -3.629 -11.793 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.763 -4.993 -9.775 1.00 0.00 H new ATOM 0 HH TYR A 63 0.562 -4.646 -12.111 1.00 0.00 H new ATOM 907 N GLU A 64 -3.419 -8.521 -7.408 1.00 0.00 N ATOM 908 CA GLU A 64 -2.794 -9.769 -7.831 1.00 0.00 C ATOM 909 C GLU A 64 -3.846 -10.777 -8.285 1.00 0.00 C ATOM 910 O GLU A 64 -3.636 -11.522 -9.244 1.00 0.00 O ATOM 911 CB GLU A 64 -1.963 -10.362 -6.691 1.00 0.00 C ATOM 912 CG GLU A 64 -2.765 -11.242 -5.747 1.00 0.00 C ATOM 913 CD GLU A 64 -2.001 -11.591 -4.485 1.00 0.00 C ATOM 914 OE1 GLU A 64 -1.431 -10.671 -3.862 1.00 0.00 O ATOM 915 OE2 GLU A 64 -1.973 -12.785 -4.120 1.00 0.00 O ATOM 0 H GLU A 64 -3.638 -8.474 -6.413 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.138 -9.549 -8.673 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.147 -10.947 -7.114 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.511 -9.550 -6.121 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.690 -10.732 -5.478 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.046 -12.160 -6.263 1.00 0.00 H new ATOM 922 N LEU A 65 -4.979 -10.795 -7.591 1.00 0.00 N ATOM 923 CA LEU A 65 -6.065 -11.711 -7.921 1.00 0.00 C ATOM 924 C LEU A 65 -6.717 -11.328 -9.246 1.00 0.00 C ATOM 925 O LEU A 65 -7.051 -12.191 -10.057 1.00 0.00 O ATOM 926 CB LEU A 65 -7.112 -11.715 -6.806 1.00 0.00 C ATOM 927 CG LEU A 65 -6.643 -12.235 -5.447 1.00 0.00 C ATOM 928 CD1 LEU A 65 -7.661 -11.900 -4.367 1.00 0.00 C ATOM 929 CD2 LEU A 65 -6.399 -13.736 -5.505 1.00 0.00 C ATOM 0 H LEU A 65 -5.169 -10.185 -6.796 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.645 -12.712 -8.020 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.479 -10.697 -6.676 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.958 -12.320 -7.132 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.703 -11.744 -5.197 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.310 -12.278 -3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.786 -10.819 -4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.617 -12.363 -4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.066 -14.088 -4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.324 -14.245 -5.778 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.633 -13.952 -6.250 1.00 0.00 H new ATOM 941 N ALA A 66 -6.893 -10.028 -9.458 1.00 0.00 N ATOM 942 CA ALA A 66 -7.501 -9.530 -10.685 1.00 0.00 C ATOM 943 C ALA A 66 -6.662 -9.902 -11.904 1.00 0.00 C ATOM 944 O ALA A 66 -7.195 -10.134 -12.988 1.00 0.00 O ATOM 945 CB ALA A 66 -7.684 -8.021 -10.610 1.00 0.00 C ATOM 0 H ALA A 66 -6.623 -9.301 -8.796 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.479 -9.999 -10.792 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.139 -7.663 -11.534 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.330 -7.774 -9.768 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.714 -7.543 -10.475 1.00 0.00 H new ATOM 951 N GLY A 67 -5.347 -9.957 -11.717 1.00 0.00 N ATOM 952 CA GLY A 67 -4.456 -10.301 -12.810 1.00 0.00 C ATOM 953 C GLY A 67 -3.416 -9.230 -13.069 1.00 0.00 C ATOM 954 O GLY A 67 -2.961 -9.056 -14.199 1.00 0.00 O ATOM 0 H GLY A 67 -4.883 -9.770 -10.828 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.955 -11.242 -12.584 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.042 -10.461 -13.715 1.00 0.00 H new ATOM 958 N GLY A 68 -3.038 -8.507 -12.018 1.00 0.00 N ATOM 959 CA GLY A 68 -2.049 -7.454 -12.159 1.00 0.00 C ATOM 960 C GLY A 68 -0.660 -7.907 -11.754 1.00 0.00 C ATOM 961 O GLY A 68 -0.502 -8.674 -10.805 1.00 0.00 O ATOM 0 H GLY A 68 -3.399 -8.632 -11.072 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.030 -7.114 -13.194 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.342 -6.600 -11.548 1.00 0.00 H new ATOM 965 N ASP A 69 0.349 -7.433 -12.477 1.00 0.00 N ATOM 966 CA ASP A 69 1.732 -7.794 -12.189 1.00 0.00 C ATOM 967 C ASP A 69 2.505 -6.595 -11.649 1.00 0.00 C ATOM 968 O ASP A 69 2.019 -5.463 -11.681 1.00 0.00 O ATOM 969 CB ASP A 69 2.414 -8.331 -13.448 1.00 0.00 C ATOM 970 CG ASP A 69 2.045 -7.541 -14.688 1.00 0.00 C ATOM 971 OD1 ASP A 69 0.845 -7.498 -15.028 1.00 0.00 O ATOM 972 OD2 ASP A 69 2.957 -6.967 -15.320 1.00 0.00 O ATOM 0 H ASP A 69 0.235 -6.798 -13.267 1.00 0.00 H new ATOM 0 HA ASP A 69 1.727 -8.574 -11.427 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.495 -8.304 -13.312 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.137 -9.376 -13.590 1.00 0.00 H new ATOM 977 N LEU A 70 3.711 -6.850 -11.153 1.00 0.00 N ATOM 978 CA LEU A 70 4.552 -5.791 -10.604 1.00 0.00 C ATOM 979 C LEU A 70 4.699 -4.643 -11.597 1.00 0.00 C ATOM 980 O LEU A 70 4.414 -3.490 -11.275 1.00 0.00 O ATOM 981 CB LEU A 70 5.930 -6.346 -10.239 1.00 0.00 C ATOM 982 CG LEU A 70 6.720 -5.550 -9.199 1.00 0.00 C ATOM 983 CD1 LEU A 70 6.092 -5.701 -7.822 1.00 0.00 C ATOM 984 CD2 LEU A 70 8.174 -5.998 -9.176 1.00 0.00 C ATOM 0 H LEU A 70 4.128 -7.780 -11.120 1.00 0.00 H new ATOM 0 HA LEU A 70 4.071 -5.408 -9.704 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.804 -7.364 -9.869 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.527 -6.409 -11.149 1.00 0.00 H new ATOM 0 HG LEU A 70 6.690 -4.496 -9.476 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.667 -5.128 -7.095 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.067 -5.331 -7.847 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.091 -6.753 -7.536 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.721 -5.421 -8.430 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.224 -7.057 -8.924 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.620 -5.837 -10.158 1.00 0.00 H new ATOM 996 N ALA A 71 5.145 -4.967 -12.807 1.00 0.00 N ATOM 997 CA ALA A 71 5.326 -3.964 -13.848 1.00 0.00 C ATOM 998 C ALA A 71 4.214 -2.921 -13.805 1.00 0.00 C ATOM 999 O ALA A 71 4.477 -1.723 -13.697 1.00 0.00 O ATOM 1000 CB ALA A 71 5.377 -4.627 -15.217 1.00 0.00 C ATOM 0 H ALA A 71 5.387 -5.917 -13.090 1.00 0.00 H new ATOM 0 HA ALA A 71 6.273 -3.455 -13.667 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.513 -3.866 -15.985 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.210 -5.329 -15.251 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.445 -5.162 -15.397 1.00 0.00 H new ATOM 1006 N GLY A 72 2.971 -3.383 -13.890 1.00 0.00 N ATOM 1007 CA GLY A 72 1.838 -2.477 -13.859 1.00 0.00 C ATOM 1008 C GLY A 72 1.870 -1.549 -12.662 1.00 0.00 C ATOM 1009 O GLY A 72 1.609 -0.351 -12.787 1.00 0.00 O ATOM 0 H GLY A 72 2.728 -4.370 -13.980 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.826 -1.884 -14.774 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.914 -3.056 -13.841 1.00 0.00 H new ATOM 1013 N LEU A 73 2.190 -2.100 -11.496 1.00 0.00 N ATOM 1014 CA LEU A 73 2.254 -1.314 -10.269 1.00 0.00 C ATOM 1015 C LEU A 73 3.360 -0.266 -10.351 1.00 0.00 C ATOM 1016 O LEU A 73 3.221 0.840 -9.828 1.00 0.00 O ATOM 1017 CB LEU A 73 2.489 -2.228 -9.066 1.00 0.00 C ATOM 1018 CG LEU A 73 2.104 -1.655 -7.702 1.00 0.00 C ATOM 1019 CD1 LEU A 73 0.592 -1.556 -7.572 1.00 0.00 C ATOM 1020 CD2 LEU A 73 2.683 -2.507 -6.582 1.00 0.00 C ATOM 0 H LEU A 73 2.409 -3.089 -11.375 1.00 0.00 H new ATOM 0 HA LEU A 73 1.301 -0.800 -10.145 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.929 -3.150 -9.221 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.545 -2.496 -9.040 1.00 0.00 H new ATOM 0 HG LEU A 73 2.522 -0.651 -7.620 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.337 -1.146 -6.595 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.202 -0.903 -8.353 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.152 -2.548 -7.675 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.399 -2.084 -5.619 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.296 -3.523 -6.660 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.770 -2.525 -6.664 1.00 0.00 H new ATOM 1032 N LEU A 74 4.456 -0.622 -11.012 1.00 0.00 N ATOM 1033 CA LEU A 74 5.586 0.288 -11.164 1.00 0.00 C ATOM 1034 C LEU A 74 5.246 1.422 -12.127 1.00 0.00 C ATOM 1035 O LEU A 74 5.691 2.555 -11.948 1.00 0.00 O ATOM 1036 CB LEU A 74 6.814 -0.472 -11.667 1.00 0.00 C ATOM 1037 CG LEU A 74 7.497 -1.390 -10.653 1.00 0.00 C ATOM 1038 CD1 LEU A 74 8.329 -2.445 -11.364 1.00 0.00 C ATOM 1039 CD2 LEU A 74 8.362 -0.579 -9.699 1.00 0.00 C ATOM 0 H LEU A 74 4.586 -1.533 -11.451 1.00 0.00 H new ATOM 0 HA LEU A 74 5.808 0.719 -10.188 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.518 -1.071 -12.528 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.546 0.254 -12.021 1.00 0.00 H new ATOM 0 HG LEU A 74 6.726 -1.896 -10.072 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.808 -3.089 -10.626 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.684 -3.045 -12.006 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.093 -1.958 -11.970 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.841 -1.248 -8.984 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.126 -0.046 -10.265 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.740 0.138 -9.164 1.00 0.00 H new ATOM 1051 N GLU A 75 4.453 1.108 -13.146 1.00 0.00 N ATOM 1052 CA GLU A 75 4.052 2.101 -14.136 1.00 0.00 C ATOM 1053 C GLU A 75 3.080 3.110 -13.531 1.00 0.00 C ATOM 1054 O GLU A 75 3.082 4.285 -13.897 1.00 0.00 O ATOM 1055 CB GLU A 75 3.409 1.418 -15.345 1.00 0.00 C ATOM 1056 CG GLU A 75 2.455 2.316 -16.115 1.00 0.00 C ATOM 1057 CD GLU A 75 2.253 1.860 -17.547 1.00 0.00 C ATOM 1058 OE1 GLU A 75 3.260 1.720 -18.272 1.00 0.00 O ATOM 1059 OE2 GLU A 75 1.088 1.644 -17.942 1.00 0.00 O ATOM 0 H GLU A 75 4.075 0.174 -13.308 1.00 0.00 H new ATOM 0 HA GLU A 75 4.946 2.633 -14.462 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.195 1.075 -16.018 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.869 0.533 -15.007 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.492 2.338 -15.605 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.840 3.336 -16.113 1.00 0.00 H new ATOM 1066 N ALA A 76 2.251 2.642 -12.604 1.00 0.00 N ATOM 1067 CA ALA A 76 1.275 3.503 -11.948 1.00 0.00 C ATOM 1068 C ALA A 76 1.944 4.407 -10.919 1.00 0.00 C ATOM 1069 O ALA A 76 1.835 5.632 -10.989 1.00 0.00 O ATOM 1070 CB ALA A 76 0.190 2.663 -11.289 1.00 0.00 C ATOM 0 H ALA A 76 2.236 1.672 -12.290 1.00 0.00 H new ATOM 0 HA ALA A 76 0.818 4.137 -12.708 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.532 3.318 -10.803 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.316 2.063 -12.046 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.640 2.005 -10.546 1.00 0.00 H new ATOM 1076 N LEU A 77 2.637 3.797 -9.963 1.00 0.00 N ATOM 1077 CA LEU A 77 3.324 4.547 -8.918 1.00 0.00 C ATOM 1078 C LEU A 77 4.132 5.696 -9.515 1.00 0.00 C ATOM 1079 O LEU A 77 4.229 6.772 -8.924 1.00 0.00 O ATOM 1080 CB LEU A 77 4.244 3.622 -8.120 1.00 0.00 C ATOM 1081 CG LEU A 77 3.553 2.529 -7.305 1.00 0.00 C ATOM 1082 CD1 LEU A 77 4.573 1.533 -6.775 1.00 0.00 C ATOM 1083 CD2 LEU A 77 2.757 3.139 -6.161 1.00 0.00 C ATOM 0 H LEU A 77 2.738 2.785 -9.890 1.00 0.00 H new ATOM 0 HA LEU A 77 2.571 4.965 -8.250 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.938 3.147 -8.813 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.839 4.232 -7.441 1.00 0.00 H new ATOM 0 HG LEU A 77 2.862 1.997 -7.959 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.063 0.762 -6.197 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.099 1.072 -7.611 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.289 2.050 -6.137 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.272 2.346 -5.592 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.428 3.696 -5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.000 3.812 -6.563 1.00 0.00 H new ATOM 1095 N SER A 78 4.708 5.460 -10.689 1.00 0.00 N ATOM 1096 CA SER A 78 5.509 6.474 -11.365 1.00 0.00 C ATOM 1097 C SER A 78 4.644 7.660 -11.783 1.00 0.00 C ATOM 1098 O SER A 78 4.983 8.813 -11.519 1.00 0.00 O ATOM 1099 CB SER A 78 6.199 5.875 -12.592 1.00 0.00 C ATOM 1100 OG SER A 78 6.700 6.892 -13.442 1.00 0.00 O ATOM 0 H SER A 78 4.635 4.576 -11.192 1.00 0.00 H new ATOM 0 HA SER A 78 6.267 6.827 -10.666 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.016 5.227 -12.274 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.494 5.252 -13.142 1.00 0.00 H new ATOM 0 HG SER A 78 7.138 6.484 -14.218 1.00 0.00 H new ATOM 1106 N ASP A 79 3.525 7.367 -12.436 1.00 0.00 N ATOM 1107 CA ASP A 79 2.610 8.407 -12.890 1.00 0.00 C ATOM 1108 C ASP A 79 2.199 9.312 -11.733 1.00 0.00 C ATOM 1109 O ASP A 79 1.911 10.493 -11.927 1.00 0.00 O ATOM 1110 CB ASP A 79 1.370 7.781 -13.530 1.00 0.00 C ATOM 1111 CG ASP A 79 0.687 8.718 -14.507 1.00 0.00 C ATOM 1112 OD1 ASP A 79 1.345 9.146 -15.478 1.00 0.00 O ATOM 1113 OD2 ASP A 79 -0.506 9.023 -14.301 1.00 0.00 O ATOM 0 H ASP A 79 3.230 6.417 -12.663 1.00 0.00 H new ATOM 0 HA ASP A 79 3.127 9.012 -13.635 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.655 6.865 -14.048 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.665 7.499 -12.748 1.00 0.00 H new ATOM 1118 N MET A 80 2.172 8.749 -10.529 1.00 0.00 N ATOM 1119 CA MET A 80 1.796 9.506 -9.341 1.00 0.00 C ATOM 1120 C MET A 80 3.002 10.234 -8.756 1.00 0.00 C ATOM 1121 O MET A 80 2.886 11.362 -8.277 1.00 0.00 O ATOM 1122 CB MET A 80 1.187 8.576 -8.289 1.00 0.00 C ATOM 1123 CG MET A 80 -0.021 7.801 -8.789 1.00 0.00 C ATOM 1124 SD MET A 80 -0.781 6.793 -7.502 1.00 0.00 S ATOM 1125 CE MET A 80 -0.837 7.961 -6.145 1.00 0.00 C ATOM 0 H MET A 80 2.406 7.772 -10.351 1.00 0.00 H new ATOM 0 HA MET A 80 1.053 10.248 -9.633 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.948 7.871 -7.955 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.896 9.166 -7.420 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.760 8.500 -9.181 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.281 7.159 -9.617 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.563 7.624 -5.405 1.00 0.00 H new ATOM 0 HE2 MET A 80 0.148 8.029 -5.683 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.131 8.941 -6.521 1.00 0.00 H new ATOM 1135 N GLY A 81 4.159 9.582 -8.797 1.00 0.00 N ATOM 1136 CA GLY A 81 5.369 10.183 -8.267 1.00 0.00 C ATOM 1137 C GLY A 81 5.851 9.499 -7.003 1.00 0.00 C ATOM 1138 O GLY A 81 6.632 10.068 -6.239 1.00 0.00 O ATOM 0 H GLY A 81 4.281 8.648 -9.188 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.154 10.139 -9.022 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.186 11.237 -8.059 1.00 0.00 H new ATOM 1142 N LEU A 82 5.383 8.276 -6.779 1.00 0.00 N ATOM 1143 CA LEU A 82 5.769 7.514 -5.596 1.00 0.00 C ATOM 1144 C LEU A 82 7.048 6.723 -5.852 1.00 0.00 C ATOM 1145 O LEU A 82 7.005 5.517 -6.092 1.00 0.00 O ATOM 1146 CB LEU A 82 4.642 6.565 -5.186 1.00 0.00 C ATOM 1147 CG LEU A 82 3.343 7.226 -4.723 1.00 0.00 C ATOM 1148 CD1 LEU A 82 2.174 6.264 -4.866 1.00 0.00 C ATOM 1149 CD2 LEU A 82 3.472 7.703 -3.284 1.00 0.00 C ATOM 0 H LEU A 82 4.736 7.791 -7.401 1.00 0.00 H new ATOM 0 HA LEU A 82 5.955 8.218 -4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.415 5.916 -6.032 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.007 5.925 -4.383 1.00 0.00 H new ATOM 0 HG LEU A 82 3.152 8.092 -5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.258 6.752 -4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.069 5.972 -5.911 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.356 5.378 -4.258 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.539 8.171 -2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.687 6.853 -2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.283 8.428 -3.212 1.00 0.00 H new ATOM 1161 N GLU A 83 8.184 7.410 -5.798 1.00 0.00 N ATOM 1162 CA GLU A 83 9.475 6.770 -6.023 1.00 0.00 C ATOM 1163 C GLU A 83 9.739 5.693 -4.974 1.00 0.00 C ATOM 1164 O GLU A 83 10.053 4.552 -5.308 1.00 0.00 O ATOM 1165 CB GLU A 83 10.597 7.810 -5.995 1.00 0.00 C ATOM 1166 CG GLU A 83 10.465 8.878 -7.068 1.00 0.00 C ATOM 1167 CD GLU A 83 11.053 10.209 -6.643 1.00 0.00 C ATOM 1168 OE1 GLU A 83 10.635 10.732 -5.589 1.00 0.00 O ATOM 1169 OE2 GLU A 83 11.932 10.727 -7.363 1.00 0.00 O ATOM 0 H GLU A 83 8.237 8.409 -5.601 1.00 0.00 H new ATOM 0 HA GLU A 83 9.451 6.298 -7.005 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.611 8.290 -5.017 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.554 7.303 -6.115 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.963 8.539 -7.976 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.412 9.012 -7.314 1.00 0.00 H new ATOM 1176 N GLU A 84 9.608 6.067 -3.705 1.00 0.00 N ATOM 1177 CA GLU A 84 9.834 5.134 -2.607 1.00 0.00 C ATOM 1178 C GLU A 84 9.357 3.733 -2.978 1.00 0.00 C ATOM 1179 O GLU A 84 10.151 2.798 -3.066 1.00 0.00 O ATOM 1180 CB GLU A 84 9.113 5.613 -1.345 1.00 0.00 C ATOM 1181 CG GLU A 84 9.957 6.524 -0.471 1.00 0.00 C ATOM 1182 CD GLU A 84 11.365 5.999 -0.269 1.00 0.00 C ATOM 1183 OE1 GLU A 84 11.536 4.763 -0.217 1.00 0.00 O ATOM 1184 OE2 GLU A 84 12.296 6.825 -0.162 1.00 0.00 O ATOM 0 H GLU A 84 9.347 7.008 -3.412 1.00 0.00 H new ATOM 0 HA GLU A 84 10.906 5.095 -2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.204 6.141 -1.634 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.806 4.746 -0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.004 7.514 -0.924 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.474 6.640 0.499 1.00 0.00 H new ATOM 1191 N GLY A 85 8.052 3.596 -3.194 1.00 0.00 N ATOM 1192 CA GLY A 85 7.490 2.306 -3.552 1.00 0.00 C ATOM 1193 C GLY A 85 8.193 1.677 -4.738 1.00 0.00 C ATOM 1194 O GLY A 85 8.618 0.523 -4.678 1.00 0.00 O ATOM 0 H GLY A 85 7.374 4.355 -3.128 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.556 1.634 -2.696 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.431 2.426 -3.782 1.00 0.00 H new ATOM 1198 N VAL A 86 8.315 2.437 -5.823 1.00 0.00 N ATOM 1199 CA VAL A 86 8.971 1.947 -7.029 1.00 0.00 C ATOM 1200 C VAL A 86 10.313 1.302 -6.702 1.00 0.00 C ATOM 1201 O VAL A 86 10.633 0.223 -7.202 1.00 0.00 O ATOM 1202 CB VAL A 86 9.192 3.081 -8.048 1.00 0.00 C ATOM 1203 CG1 VAL A 86 10.070 2.605 -9.195 1.00 0.00 C ATOM 1204 CG2 VAL A 86 7.859 3.600 -8.565 1.00 0.00 C ATOM 0 H VAL A 86 7.968 3.394 -5.891 1.00 0.00 H new ATOM 0 HA VAL A 86 8.310 1.199 -7.467 1.00 0.00 H new ATOM 0 HB VAL A 86 9.705 3.902 -7.547 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.215 3.420 -9.905 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.037 2.287 -8.805 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.588 1.767 -9.698 1.00 0.00 H new ATOM 0 HG21 VAL A 86 8.034 4.401 -9.284 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.316 2.789 -9.051 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.270 3.983 -7.732 1.00 0.00 H new ATOM 1214 N ARG A 87 11.095 1.971 -5.861 1.00 0.00 N ATOM 1215 CA ARG A 87 12.404 1.464 -5.467 1.00 0.00 C ATOM 1216 C ARG A 87 12.266 0.202 -4.619 1.00 0.00 C ATOM 1217 O ARG A 87 12.941 -0.799 -4.862 1.00 0.00 O ATOM 1218 CB ARG A 87 13.176 2.532 -4.690 1.00 0.00 C ATOM 1219 CG ARG A 87 13.508 3.764 -5.516 1.00 0.00 C ATOM 1220 CD ARG A 87 13.856 4.950 -4.630 1.00 0.00 C ATOM 1221 NE ARG A 87 14.285 6.108 -5.410 1.00 0.00 N ATOM 1222 CZ ARG A 87 15.509 6.246 -5.908 1.00 0.00 C ATOM 1223 NH1 ARG A 87 16.419 5.304 -5.710 1.00 0.00 N ATOM 1224 NH2 ARG A 87 15.823 7.329 -6.607 1.00 0.00 N ATOM 0 H ARG A 87 10.845 2.865 -5.439 1.00 0.00 H new ATOM 0 HA ARG A 87 12.956 1.214 -6.373 1.00 0.00 H new ATOM 0 HB2 ARG A 87 12.589 2.834 -3.822 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.102 2.097 -4.313 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.346 3.545 -6.178 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.659 4.018 -6.150 1.00 0.00 H new ATOM 0 HD2 ARG A 87 12.988 5.220 -4.028 1.00 0.00 H new ATOM 0 HD3 ARG A 87 14.648 4.665 -3.938 1.00 0.00 H new ATOM 0 HE ARG A 87 13.608 6.851 -5.582 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.181 4.470 -5.174 1.00 0.00 H new ATOM 0 HH12 ARG A 87 17.358 5.413 -6.094 1.00 0.00 H new ATOM 0 HH21 ARG A 87 15.125 8.056 -6.762 1.00 0.00 H new ATOM 0 HH22 ARG A 87 16.763 7.435 -6.989 1.00 0.00 H new ATOM 1238 N LEU A 88 11.388 0.258 -3.624 1.00 0.00 N ATOM 1239 CA LEU A 88 11.161 -0.879 -2.739 1.00 0.00 C ATOM 1240 C LEU A 88 10.762 -2.117 -3.535 1.00 0.00 C ATOM 1241 O LEU A 88 11.415 -3.159 -3.453 1.00 0.00 O ATOM 1242 CB LEU A 88 10.075 -0.545 -1.715 1.00 0.00 C ATOM 1243 CG LEU A 88 9.425 -1.738 -1.013 1.00 0.00 C ATOM 1244 CD1 LEU A 88 10.409 -2.398 -0.060 1.00 0.00 C ATOM 1245 CD2 LEU A 88 8.171 -1.301 -0.270 1.00 0.00 C ATOM 0 H LEU A 88 10.821 1.079 -3.410 1.00 0.00 H new ATOM 0 HA LEU A 88 12.093 -1.091 -2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.508 0.106 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.294 0.026 -2.217 1.00 0.00 H new ATOM 0 HG LEU A 88 9.139 -2.468 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.929 -3.245 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.278 -2.747 -0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.727 -1.676 0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.722 -2.163 0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.433 -0.551 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.459 -0.876 -0.977 1.00 0.00 H new ATOM 1257 N LEU A 89 9.688 -1.997 -4.308 1.00 0.00 N ATOM 1258 CA LEU A 89 9.203 -3.106 -5.121 1.00 0.00 C ATOM 1259 C LEU A 89 10.349 -3.766 -5.881 1.00 0.00 C ATOM 1260 O LEU A 89 10.517 -4.985 -5.835 1.00 0.00 O ATOM 1261 CB LEU A 89 8.140 -2.615 -6.105 1.00 0.00 C ATOM 1262 CG LEU A 89 6.887 -1.994 -5.486 1.00 0.00 C ATOM 1263 CD1 LEU A 89 6.088 -1.242 -6.538 1.00 0.00 C ATOM 1264 CD2 LEU A 89 6.031 -3.065 -4.826 1.00 0.00 C ATOM 0 H LEU A 89 9.137 -1.143 -4.389 1.00 0.00 H new ATOM 0 HA LEU A 89 8.759 -3.846 -4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.598 -1.878 -6.765 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.835 -3.456 -6.728 1.00 0.00 H new ATOM 0 HG LEU A 89 7.198 -1.283 -4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.200 -0.807 -6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.702 -0.448 -6.963 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.788 -1.931 -7.328 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.144 -2.605 -4.391 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.730 -3.801 -5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.606 -3.558 -4.042 1.00 0.00 H new ATOM 1276 N ARG A 90 11.136 -2.953 -6.578 1.00 0.00 N ATOM 1277 CA ARG A 90 12.267 -3.459 -7.347 1.00 0.00 C ATOM 1278 C ARG A 90 13.303 -4.103 -6.431 1.00 0.00 C ATOM 1279 O ARG A 90 13.875 -5.142 -6.757 1.00 0.00 O ATOM 1280 CB ARG A 90 12.913 -2.326 -8.148 1.00 0.00 C ATOM 1281 CG ARG A 90 12.165 -1.979 -9.424 1.00 0.00 C ATOM 1282 CD ARG A 90 13.065 -1.266 -10.421 1.00 0.00 C ATOM 1283 NE ARG A 90 14.197 -2.095 -10.826 1.00 0.00 N ATOM 1284 CZ ARG A 90 15.069 -1.741 -11.763 1.00 0.00 C ATOM 1285 NH1 ARG A 90 14.940 -0.578 -12.388 1.00 0.00 N ATOM 1286 NH2 ARG A 90 16.073 -2.549 -12.076 1.00 0.00 N ATOM 0 H ARG A 90 11.012 -1.942 -6.626 1.00 0.00 H new ATOM 0 HA ARG A 90 11.896 -4.217 -8.036 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.974 -1.437 -7.520 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.935 -2.608 -8.401 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.770 -2.890 -9.875 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.311 -1.345 -9.185 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.484 -0.990 -11.301 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.433 -0.340 -9.979 1.00 0.00 H new ATOM 0 HE ARG A 90 14.325 -2.995 -10.364 1.00 0.00 H new ATOM 0 HH11 ARG A 90 14.170 0.047 -12.149 1.00 0.00 H new ATOM 0 HH12 ARG A 90 15.611 -0.308 -13.107 1.00 0.00 H new ATOM 0 HH21 ARG A 90 16.176 -3.444 -11.597 1.00 0.00 H new ATOM 0 HH22 ARG A 90 16.742 -2.276 -12.796 1.00 0.00 H new