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 Set 1.1: A 54 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 56 SER OG : rot -161:sc= -0.826 USER MOD Set 2.1: A 49 TYR OH : rot 15:sc= -1.34! USER MOD Set 2.2: A 62 SER OG : rot -165:sc= 0.208 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00295 USER MOD Single : A 18 GLN : amide:sc= -0.106 K(o=-0.11,f=-1.8!) USER MOD Single : A 19 ASN : amide:sc= -0.925! X(o=-0.93!,f=-0.6) USER MOD Single : A 22 GLN : amide:sc= -0.021 X(o=-0.021,f=0) USER MOD Single : A 30 GLN : amide:sc= -2.01! K(o=-2!,f=-1.1) USER MOD Single : A 32 SER OG : rot 180:sc= 0 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 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot -49:sc= 0.958 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 106:sc=-0.00218 USER MOD Single : A 63 TYR OH : rot -165:sc= -0.22 USER MOD Single : A 78 SER OG : rot 180:sc= -0.038 USER MOD Single : A 80 MET CE :methyl 157:sc= -2.08 (180deg=-4.74!) USER MOD ----------------------------------------------------------------- ATOM 87 N LEU A 10 1.896 -12.972 -5.964 1.00 0.00 N ATOM 88 CA LEU A 10 2.946 -12.011 -6.283 1.00 0.00 C ATOM 89 C LEU A 10 4.297 -12.488 -5.758 1.00 0.00 C ATOM 90 O LEU A 10 4.404 -12.955 -4.624 1.00 0.00 O ATOM 91 CB LEU A 10 2.610 -10.642 -5.689 1.00 0.00 C ATOM 92 CG LEU A 10 1.567 -9.819 -6.447 1.00 0.00 C ATOM 93 CD1 LEU A 10 1.309 -8.500 -5.736 1.00 0.00 C ATOM 94 CD2 LEU A 10 2.019 -9.576 -7.879 1.00 0.00 C ATOM 0 HA LEU A 10 3.008 -11.924 -7.368 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.257 -10.788 -4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.529 -10.059 -5.628 1.00 0.00 H new ATOM 0 HG LEU A 10 0.634 -10.383 -6.472 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.564 -7.928 -6.290 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.941 -8.695 -4.729 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.236 -7.930 -5.679 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.265 -8.989 -8.404 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.964 -9.033 -7.875 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.152 -10.532 -8.386 1.00 0.00 H new ATOM 106 N SER A 11 5.326 -12.365 -6.591 1.00 0.00 N ATOM 107 CA SER A 11 6.670 -12.785 -6.212 1.00 0.00 C ATOM 108 C SER A 11 7.319 -11.759 -5.288 1.00 0.00 C ATOM 109 O SER A 11 8.441 -11.311 -5.528 1.00 0.00 O ATOM 110 CB SER A 11 7.535 -12.985 -7.457 1.00 0.00 C ATOM 111 OG SER A 11 7.225 -14.208 -8.102 1.00 0.00 O ATOM 0 H SER A 11 5.254 -11.978 -7.532 1.00 0.00 H new ATOM 0 HA SER A 11 6.591 -13.732 -5.678 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.380 -12.156 -8.148 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.588 -12.975 -7.177 1.00 0.00 H new ATOM 0 HG SER A 11 7.790 -14.312 -8.896 1.00 0.00 H new ATOM 117 N LEU A 12 6.606 -11.390 -4.229 1.00 0.00 N ATOM 118 CA LEU A 12 7.111 -10.417 -3.267 1.00 0.00 C ATOM 119 C LEU A 12 7.235 -11.037 -1.879 1.00 0.00 C ATOM 120 O LEU A 12 6.497 -11.957 -1.531 1.00 0.00 O ATOM 121 CB LEU A 12 6.188 -9.198 -3.213 1.00 0.00 C ATOM 122 CG LEU A 12 6.232 -8.268 -4.426 1.00 0.00 C ATOM 123 CD1 LEU A 12 4.920 -7.511 -4.566 1.00 0.00 C ATOM 124 CD2 LEU A 12 7.400 -7.300 -4.314 1.00 0.00 C ATOM 0 H LEU A 12 5.676 -11.750 -4.015 1.00 0.00 H new ATOM 0 HA LEU A 12 8.102 -10.101 -3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.164 -9.548 -3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.438 -8.617 -2.326 1.00 0.00 H new ATOM 0 HG LEU A 12 6.374 -8.875 -5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.970 -6.854 -5.434 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.102 -8.220 -4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.746 -6.915 -3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.415 -6.646 -5.186 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.289 -6.699 -3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.334 -7.860 -4.264 1.00 0.00 H new ATOM 136 N GLY A 13 8.174 -10.524 -1.089 1.00 0.00 N ATOM 137 CA GLY A 13 8.376 -11.038 0.253 1.00 0.00 C ATOM 138 C GLY A 13 7.428 -10.419 1.260 1.00 0.00 C ATOM 139 O GLY A 13 6.493 -9.710 0.888 1.00 0.00 O ATOM 0 H GLY A 13 8.798 -9.762 -1.355 1.00 0.00 H new ATOM 0 HA2 GLY A 13 8.241 -12.120 0.249 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.404 -10.847 0.561 1.00 0.00 H new ATOM 143 N ASP A 14 7.669 -10.686 2.539 1.00 0.00 N ATOM 144 CA ASP A 14 6.829 -10.150 3.604 1.00 0.00 C ATOM 145 C ASP A 14 7.203 -8.704 3.915 1.00 0.00 C ATOM 146 O ASP A 14 6.384 -7.795 3.774 1.00 0.00 O ATOM 147 CB ASP A 14 6.959 -11.006 4.865 1.00 0.00 C ATOM 148 CG ASP A 14 6.246 -12.338 4.736 1.00 0.00 C ATOM 149 OD1 ASP A 14 5.000 -12.338 4.660 1.00 0.00 O ATOM 150 OD2 ASP A 14 6.934 -13.380 4.713 1.00 0.00 O ATOM 0 H ASP A 14 8.439 -11.271 2.864 1.00 0.00 H new ATOM 0 HA ASP A 14 5.794 -10.174 3.264 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.014 -11.181 5.075 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.551 -10.460 5.715 1.00 0.00 H new ATOM 155 N THR A 15 8.446 -8.498 4.339 1.00 0.00 N ATOM 156 CA THR A 15 8.928 -7.164 4.673 1.00 0.00 C ATOM 157 C THR A 15 8.570 -6.161 3.582 1.00 0.00 C ATOM 158 O THR A 15 7.840 -5.200 3.824 1.00 0.00 O ATOM 159 CB THR A 15 10.454 -7.154 4.882 1.00 0.00 C ATOM 160 OG1 THR A 15 10.836 -8.227 5.750 1.00 0.00 O ATOM 161 CG2 THR A 15 10.910 -5.829 5.474 1.00 0.00 C ATOM 0 H THR A 15 9.137 -9.238 4.459 1.00 0.00 H new ATOM 0 HA THR A 15 8.439 -6.875 5.603 1.00 0.00 H new ATOM 0 HB THR A 15 10.933 -7.284 3.912 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.808 -8.215 5.877 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.991 -5.845 5.613 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.643 -5.017 4.797 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.423 -5.674 6.437 1.00 0.00 H new ATOM 169 N ALA A 16 9.087 -6.392 2.379 1.00 0.00 N ATOM 170 CA ALA A 16 8.820 -5.510 1.250 1.00 0.00 C ATOM 171 C ALA A 16 7.377 -5.015 1.271 1.00 0.00 C ATOM 172 O ALA A 16 7.124 -3.809 1.275 1.00 0.00 O ATOM 173 CB ALA A 16 9.116 -6.225 -0.060 1.00 0.00 C ATOM 0 H ALA A 16 9.693 -7.183 2.162 1.00 0.00 H new ATOM 0 HA ALA A 16 9.476 -4.643 1.334 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.912 -5.554 -0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.164 -6.524 -0.083 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.484 -7.109 -0.143 1.00 0.00 H new ATOM 179 N LEU A 17 6.436 -5.951 1.282 1.00 0.00 N ATOM 180 CA LEU A 17 5.017 -5.610 1.301 1.00 0.00 C ATOM 181 C LEU A 17 4.693 -4.696 2.479 1.00 0.00 C ATOM 182 O LEU A 17 4.303 -3.544 2.293 1.00 0.00 O ATOM 183 CB LEU A 17 4.168 -6.880 1.377 1.00 0.00 C ATOM 184 CG LEU A 17 3.846 -7.553 0.042 1.00 0.00 C ATOM 185 CD1 LEU A 17 3.000 -8.798 0.263 1.00 0.00 C ATOM 186 CD2 LEU A 17 3.135 -6.581 -0.887 1.00 0.00 C ATOM 0 H LEU A 17 6.629 -6.953 1.278 1.00 0.00 H new ATOM 0 HA LEU A 17 4.783 -5.079 0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.685 -7.602 2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.229 -6.636 1.874 1.00 0.00 H new ATOM 0 HG LEU A 17 4.783 -7.853 -0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.780 -9.264 -0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.546 -9.502 0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.067 -8.521 0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.914 -7.077 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.205 -6.250 -0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.776 -5.719 -1.071 1.00 0.00 H new ATOM 198 N GLN A 18 4.859 -5.219 3.690 1.00 0.00 N ATOM 199 CA GLN A 18 4.585 -4.449 4.897 1.00 0.00 C ATOM 200 C GLN A 18 5.026 -2.998 4.730 1.00 0.00 C ATOM 201 O GLN A 18 4.389 -2.082 5.249 1.00 0.00 O ATOM 202 CB GLN A 18 5.295 -5.075 6.098 1.00 0.00 C ATOM 203 CG GLN A 18 4.705 -6.408 6.527 1.00 0.00 C ATOM 204 CD GLN A 18 3.495 -6.249 7.426 1.00 0.00 C ATOM 205 OE1 GLN A 18 3.310 -5.210 8.059 1.00 0.00 O ATOM 206 NE2 GLN A 18 2.663 -7.282 7.487 1.00 0.00 N ATOM 0 H GLN A 18 5.181 -6.172 3.861 1.00 0.00 H new ATOM 0 HA GLN A 18 3.509 -4.464 5.071 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.348 -5.215 5.854 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.252 -4.381 6.937 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.423 -6.978 5.642 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.467 -6.987 7.049 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.855 -8.124 6.945 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.832 -7.233 8.076 1.00 0.00 H new ATOM 215 N ASN A 19 6.119 -2.798 4.002 1.00 0.00 N ATOM 216 CA ASN A 19 6.646 -1.458 3.767 1.00 0.00 C ATOM 217 C ASN A 19 5.786 -0.705 2.756 1.00 0.00 C ATOM 218 O ASN A 19 5.502 0.481 2.928 1.00 0.00 O ATOM 219 CB ASN A 19 8.090 -1.536 3.267 1.00 0.00 C ATOM 220 CG ASN A 19 9.078 -1.783 4.391 1.00 0.00 C ATOM 221 OD1 ASN A 19 9.487 -0.854 5.088 1.00 0.00 O ATOM 222 ND2 ASN A 19 9.467 -3.039 4.571 1.00 0.00 N ATOM 0 H ASN A 19 6.657 -3.546 3.565 1.00 0.00 H new ATOM 0 HA ASN A 19 6.624 -0.915 4.712 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.174 -2.335 2.531 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.347 -0.606 2.759 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.131 -3.266 5.311 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.102 -3.777 3.969 1.00 0.00 H new ATOM 229 N LEU A 20 5.375 -1.402 1.702 1.00 0.00 N ATOM 230 CA LEU A 20 4.547 -0.800 0.663 1.00 0.00 C ATOM 231 C LEU A 20 3.151 -0.489 1.192 1.00 0.00 C ATOM 232 O LEU A 20 2.537 0.505 0.803 1.00 0.00 O ATOM 233 CB LEU A 20 4.451 -1.734 -0.545 1.00 0.00 C ATOM 234 CG LEU A 20 4.213 -1.061 -1.897 1.00 0.00 C ATOM 235 CD1 LEU A 20 3.052 -0.082 -1.808 1.00 0.00 C ATOM 236 CD2 LEU A 20 5.474 -0.354 -2.370 1.00 0.00 C ATOM 0 H LEU A 20 5.602 -2.384 1.545 1.00 0.00 H new ATOM 0 HA LEU A 20 5.015 0.135 0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.373 -2.311 -0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.642 -2.443 -0.367 1.00 0.00 H new ATOM 0 HG LEU A 20 3.958 -1.831 -2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.897 0.388 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.148 -0.615 -1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.278 0.684 -1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.286 0.119 -3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.760 0.406 -1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.281 -1.079 -2.473 1.00 0.00 H new ATOM 248 N GLU A 21 2.656 -1.344 2.081 1.00 0.00 N ATOM 249 CA GLU A 21 1.332 -1.159 2.664 1.00 0.00 C ATOM 250 C GLU A 21 1.226 0.200 3.351 1.00 0.00 C ATOM 251 O GLU A 21 0.291 0.961 3.102 1.00 0.00 O ATOM 252 CB GLU A 21 1.031 -2.275 3.667 1.00 0.00 C ATOM 253 CG GLU A 21 1.172 -3.671 3.084 1.00 0.00 C ATOM 254 CD GLU A 21 0.092 -3.991 2.069 1.00 0.00 C ATOM 255 OE1 GLU A 21 -0.572 -3.048 1.591 1.00 0.00 O ATOM 256 OE2 GLU A 21 -0.088 -5.186 1.753 1.00 0.00 O ATOM 0 H GLU A 21 3.151 -2.171 2.413 1.00 0.00 H new ATOM 0 HA GLU A 21 0.599 -1.198 1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.703 -2.177 4.520 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.016 -2.149 4.045 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.149 -3.766 2.611 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.136 -4.403 3.891 1.00 0.00 H new ATOM 263 N GLN A 22 2.190 0.495 4.217 1.00 0.00 N ATOM 264 CA GLN A 22 2.204 1.761 4.941 1.00 0.00 C ATOM 265 C GLN A 22 2.717 2.890 4.053 1.00 0.00 C ATOM 266 O GLN A 22 2.173 3.996 4.061 1.00 0.00 O ATOM 267 CB GLN A 22 3.074 1.646 6.194 1.00 0.00 C ATOM 268 CG GLN A 22 2.652 0.523 7.127 1.00 0.00 C ATOM 269 CD GLN A 22 1.553 0.940 8.084 1.00 0.00 C ATOM 270 OE1 GLN A 22 0.421 0.464 7.994 1.00 0.00 O ATOM 271 NE2 GLN A 22 1.881 1.835 9.009 1.00 0.00 N ATOM 0 H GLN A 22 2.971 -0.124 4.434 1.00 0.00 H new ATOM 0 HA GLN A 22 1.181 1.993 5.237 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.110 1.488 5.894 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.041 2.590 6.737 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.310 -0.326 6.535 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.517 0.186 7.698 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.831 2.204 9.048 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.183 2.154 9.681 1.00 0.00 H new ATOM 280 N LEU A 23 3.766 2.606 3.290 1.00 0.00 N ATOM 281 CA LEU A 23 4.353 3.598 2.396 1.00 0.00 C ATOM 282 C LEU A 23 3.268 4.365 1.646 1.00 0.00 C ATOM 283 O LEU A 23 3.425 5.549 1.344 1.00 0.00 O ATOM 284 CB LEU A 23 5.296 2.921 1.400 1.00 0.00 C ATOM 285 CG LEU A 23 6.752 2.777 1.846 1.00 0.00 C ATOM 286 CD1 LEU A 23 7.486 1.785 0.957 1.00 0.00 C ATOM 287 CD2 LEU A 23 7.450 4.129 1.830 1.00 0.00 C ATOM 0 H LEU A 23 4.228 1.697 3.272 1.00 0.00 H new ATOM 0 HA LEU A 23 4.920 4.306 3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.905 1.928 1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.276 3.487 0.469 1.00 0.00 H new ATOM 0 HG LEU A 23 6.764 2.396 2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.520 1.695 1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.999 0.812 1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.465 2.136 -0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.485 4.008 2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.428 4.538 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.938 4.811 2.509 1.00 0.00 H new ATOM 299 N LEU A 24 2.167 3.684 1.350 1.00 0.00 N ATOM 300 CA LEU A 24 1.054 4.301 0.637 1.00 0.00 C ATOM 301 C LEU A 24 0.213 5.158 1.578 1.00 0.00 C ATOM 302 O LEU A 24 -0.336 6.184 1.176 1.00 0.00 O ATOM 303 CB LEU A 24 0.179 3.227 -0.012 1.00 0.00 C ATOM 304 CG LEU A 24 0.602 2.771 -1.409 1.00 0.00 C ATOM 305 CD1 LEU A 24 -0.111 1.482 -1.788 1.00 0.00 C ATOM 306 CD2 LEU A 24 0.321 3.860 -2.434 1.00 0.00 C ATOM 0 H LEU A 24 2.021 2.704 1.593 1.00 0.00 H new ATOM 0 HA LEU A 24 1.465 4.944 -0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.162 2.356 0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.842 3.604 -0.068 1.00 0.00 H new ATOM 0 HG LEU A 24 1.675 2.579 -1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.202 1.173 -2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.141 0.702 -1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.188 1.647 -1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.628 3.518 -3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.746 4.084 -2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.879 4.759 -2.172 1.00 0.00 H new ATOM 318 N ASP A 25 0.117 4.730 2.832 1.00 0.00 N ATOM 319 CA ASP A 25 -0.654 5.460 3.832 1.00 0.00 C ATOM 320 C ASP A 25 0.267 6.213 4.786 1.00 0.00 C ATOM 321 O ASP A 25 0.926 5.611 5.633 1.00 0.00 O ATOM 322 CB ASP A 25 -1.548 4.499 4.618 1.00 0.00 C ATOM 323 CG ASP A 25 -2.601 5.224 5.433 1.00 0.00 C ATOM 324 OD1 ASP A 25 -3.237 6.152 4.890 1.00 0.00 O ATOM 325 OD2 ASP A 25 -2.789 4.863 6.613 1.00 0.00 O ATOM 0 H ASP A 25 0.563 3.882 3.180 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.281 6.186 3.313 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.037 3.814 3.926 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.931 3.894 5.283 1.00 0.00 H new ATOM 330 N GLY A 26 0.309 7.534 4.642 1.00 0.00 N ATOM 331 CA GLY A 26 1.153 8.347 5.497 1.00 0.00 C ATOM 332 C GLY A 26 1.276 9.774 5.002 1.00 0.00 C ATOM 333 O GLY A 26 1.005 10.076 3.839 1.00 0.00 O ATOM 0 H GLY A 26 -0.227 8.055 3.948 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.745 8.350 6.508 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.145 7.899 5.555 1.00 0.00 H new ATOM 337 N PRO A 27 1.693 10.682 5.898 1.00 0.00 N ATOM 338 CA PRO A 27 1.859 12.101 5.568 1.00 0.00 C ATOM 339 C PRO A 27 3.036 12.344 4.629 1.00 0.00 C ATOM 340 O PRO A 27 2.955 13.169 3.720 1.00 0.00 O ATOM 341 CB PRO A 27 2.118 12.753 6.929 1.00 0.00 C ATOM 342 CG PRO A 27 2.689 11.663 7.769 1.00 0.00 C ATOM 343 CD PRO A 27 2.034 10.393 7.301 1.00 0.00 C ATOM 0 HA PRO A 27 0.991 12.502 5.045 1.00 0.00 H new ATOM 0 HB2 PRO A 27 2.811 13.590 6.842 1.00 0.00 H new ATOM 0 HB3 PRO A 27 1.198 13.145 7.362 1.00 0.00 H new ATOM 0 HG2 PRO A 27 3.772 11.609 7.655 1.00 0.00 H new ATOM 0 HG3 PRO A 27 2.488 11.839 8.826 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.707 9.540 7.383 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.147 10.158 7.890 1.00 0.00 H new ATOM 351 N GLU A 28 4.127 11.619 4.855 1.00 0.00 N ATOM 352 CA GLU A 28 5.320 11.757 4.028 1.00 0.00 C ATOM 353 C GLU A 28 5.048 11.297 2.599 1.00 0.00 C ATOM 354 O GLU A 28 5.492 11.924 1.638 1.00 0.00 O ATOM 355 CB GLU A 28 6.477 10.952 4.623 1.00 0.00 C ATOM 356 CG GLU A 28 7.848 11.476 4.233 1.00 0.00 C ATOM 357 CD GLU A 28 8.059 12.921 4.643 1.00 0.00 C ATOM 358 OE1 GLU A 28 8.493 13.153 5.791 1.00 0.00 O ATOM 359 OE2 GLU A 28 7.789 13.818 3.818 1.00 0.00 O ATOM 0 H GLU A 28 4.209 10.931 5.603 1.00 0.00 H new ATOM 0 HA GLU A 28 5.595 12.812 4.006 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.391 10.958 5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.389 9.914 4.302 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.615 10.855 4.696 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.974 11.386 3.154 1.00 0.00 H new ATOM 366 N ALA A 29 4.315 10.196 2.468 1.00 0.00 N ATOM 367 CA ALA A 29 3.981 9.651 1.157 1.00 0.00 C ATOM 368 C ALA A 29 3.303 10.701 0.283 1.00 0.00 C ATOM 369 O ALA A 29 2.089 10.888 0.352 1.00 0.00 O ATOM 370 CB ALA A 29 3.089 8.428 1.305 1.00 0.00 C ATOM 0 H ALA A 29 3.941 9.664 3.254 1.00 0.00 H new ATOM 0 HA ALA A 29 4.908 9.353 0.668 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.848 8.032 0.319 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.610 7.666 1.885 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.169 8.709 1.818 1.00 0.00 H new ATOM 376 N GLN A 30 4.096 11.383 -0.538 1.00 0.00 N ATOM 377 CA GLN A 30 3.571 12.414 -1.424 1.00 0.00 C ATOM 378 C GLN A 30 2.384 11.891 -2.226 1.00 0.00 C ATOM 379 O GLN A 30 1.500 12.653 -2.615 1.00 0.00 O ATOM 380 CB GLN A 30 4.665 12.907 -2.373 1.00 0.00 C ATOM 381 CG GLN A 30 5.142 11.847 -3.353 1.00 0.00 C ATOM 382 CD GLN A 30 5.689 12.443 -4.636 1.00 0.00 C ATOM 383 OE1 GLN A 30 6.873 12.767 -4.727 1.00 0.00 O ATOM 384 NE2 GLN A 30 4.827 12.591 -5.635 1.00 0.00 N ATOM 0 H GLN A 30 5.103 11.240 -0.607 1.00 0.00 H new ATOM 0 HA GLN A 30 3.231 13.247 -0.808 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.291 13.765 -2.932 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.514 13.256 -1.785 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.915 11.241 -2.880 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.314 11.179 -3.591 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.854 12.309 -5.515 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.138 12.987 -6.522 1.00 0.00 H new ATOM 393 N GLY A 31 2.371 10.584 -2.470 1.00 0.00 N ATOM 394 CA GLY A 31 1.288 9.980 -3.225 1.00 0.00 C ATOM 395 C GLY A 31 0.233 9.360 -2.331 1.00 0.00 C ATOM 396 O GLY A 31 -0.027 9.852 -1.233 1.00 0.00 O ATOM 0 H GLY A 31 3.091 9.932 -2.158 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.824 10.737 -3.858 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.693 9.215 -3.887 1.00 0.00 H new ATOM 400 N SER A 32 -0.377 8.277 -2.802 1.00 0.00 N ATOM 401 CA SER A 32 -1.414 7.592 -2.039 1.00 0.00 C ATOM 402 C SER A 32 -1.857 6.316 -2.749 1.00 0.00 C ATOM 403 O SER A 32 -1.417 6.028 -3.862 1.00 0.00 O ATOM 404 CB SER A 32 -2.616 8.515 -1.829 1.00 0.00 C ATOM 405 OG SER A 32 -3.331 8.162 -0.657 1.00 0.00 O ATOM 0 H SER A 32 -0.171 7.855 -3.708 1.00 0.00 H new ATOM 0 HA SER A 32 -0.998 7.322 -1.068 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.277 9.548 -1.755 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.278 8.458 -2.693 1.00 0.00 H new ATOM 0 HG SER A 32 -4.093 8.767 -0.544 1.00 0.00 H new ATOM 411 N TRP A 33 -2.729 5.556 -2.097 1.00 0.00 N ATOM 412 CA TRP A 33 -3.232 4.310 -2.665 1.00 0.00 C ATOM 413 C TRP A 33 -4.527 4.546 -3.433 1.00 0.00 C ATOM 414 O TRP A 33 -4.709 4.028 -4.534 1.00 0.00 O ATOM 415 CB TRP A 33 -3.460 3.278 -1.560 1.00 0.00 C ATOM 416 CG TRP A 33 -4.547 3.663 -0.602 1.00 0.00 C ATOM 417 CD1 TRP A 33 -4.392 4.251 0.620 1.00 0.00 C ATOM 418 CD2 TRP A 33 -5.955 3.485 -0.788 1.00 0.00 C ATOM 419 NE1 TRP A 33 -5.619 4.449 1.206 1.00 0.00 N ATOM 420 CE2 TRP A 33 -6.594 3.988 0.362 1.00 0.00 C ATOM 421 CE3 TRP A 33 -6.739 2.950 -1.814 1.00 0.00 C ATOM 422 CZ2 TRP A 33 -7.978 3.972 0.512 1.00 0.00 C ATOM 423 CZ3 TRP A 33 -8.113 2.934 -1.664 1.00 0.00 C ATOM 424 CH2 TRP A 33 -8.721 3.443 -0.509 1.00 0.00 C ATOM 0 H TRP A 33 -3.103 5.780 -1.175 1.00 0.00 H new ATOM 0 HA TRP A 33 -2.484 3.928 -3.360 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -3.709 2.319 -2.014 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -2.531 3.137 -1.007 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -3.444 4.521 1.062 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -5.778 4.871 2.121 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -6.279 2.556 -2.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -8.449 4.363 1.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -8.728 2.522 -2.450 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -9.797 3.418 -0.422 1.00 0.00 H new ATOM 435 N ALA A 34 -5.425 5.330 -2.845 1.00 0.00 N ATOM 436 CA ALA A 34 -6.703 5.636 -3.476 1.00 0.00 C ATOM 437 C ALA A 34 -6.546 5.796 -4.984 1.00 0.00 C ATOM 438 O ALA A 34 -7.063 4.993 -5.759 1.00 0.00 O ATOM 439 CB ALA A 34 -7.303 6.895 -2.869 1.00 0.00 C ATOM 0 H ALA A 34 -5.291 5.765 -1.932 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.379 4.801 -3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.257 7.112 -3.350 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.461 6.745 -1.801 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.622 7.732 -3.021 1.00 0.00 H new ATOM 445 N GLU A 35 -5.830 6.839 -5.392 1.00 0.00 N ATOM 446 CA GLU A 35 -5.607 7.105 -6.809 1.00 0.00 C ATOM 447 C GLU A 35 -4.952 5.907 -7.490 1.00 0.00 C ATOM 448 O GLU A 35 -5.402 5.455 -8.544 1.00 0.00 O ATOM 449 CB GLU A 35 -4.732 8.347 -6.986 1.00 0.00 C ATOM 450 CG GLU A 35 -4.409 8.663 -8.437 1.00 0.00 C ATOM 451 CD GLU A 35 -5.494 9.479 -9.112 1.00 0.00 C ATOM 452 OE1 GLU A 35 -5.511 10.714 -8.925 1.00 0.00 O ATOM 453 OE2 GLU A 35 -6.327 8.883 -9.827 1.00 0.00 O ATOM 0 H GLU A 35 -5.395 7.513 -4.762 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.576 7.283 -7.276 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.238 9.204 -6.540 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.801 8.206 -6.438 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.467 9.208 -8.485 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.266 7.731 -8.985 1.00 0.00 H new ATOM 460 N LEU A 36 -3.887 5.397 -6.882 1.00 0.00 N ATOM 461 CA LEU A 36 -3.169 4.251 -7.429 1.00 0.00 C ATOM 462 C LEU A 36 -4.140 3.169 -7.891 1.00 0.00 C ATOM 463 O LEU A 36 -4.074 2.707 -9.029 1.00 0.00 O ATOM 464 CB LEU A 36 -2.209 3.679 -6.384 1.00 0.00 C ATOM 465 CG LEU A 36 -1.619 2.303 -6.696 1.00 0.00 C ATOM 466 CD1 LEU A 36 -0.708 2.376 -7.911 1.00 0.00 C ATOM 467 CD2 LEU A 36 -0.863 1.762 -5.492 1.00 0.00 C ATOM 0 H LEU A 36 -3.501 5.759 -6.010 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.596 4.591 -8.292 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.387 4.383 -6.251 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.735 3.619 -5.431 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.438 1.620 -6.922 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.297 1.388 -8.118 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.279 2.720 -8.774 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.106 3.073 -7.714 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.450 0.782 -5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.053 2.444 -5.234 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.544 1.671 -4.646 1.00 0.00 H new ATOM 479 N ALA A 37 -5.042 2.772 -6.999 1.00 0.00 N ATOM 480 CA ALA A 37 -6.029 1.748 -7.316 1.00 0.00 C ATOM 481 C ALA A 37 -6.659 1.997 -8.683 1.00 0.00 C ATOM 482 O ALA A 37 -6.650 1.123 -9.549 1.00 0.00 O ATOM 483 CB ALA A 37 -7.103 1.698 -6.239 1.00 0.00 C ATOM 0 H ALA A 37 -5.109 3.144 -6.052 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.519 0.785 -7.350 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.833 0.929 -6.489 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.644 1.464 -5.278 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.602 2.665 -6.177 1.00 0.00 H new ATOM 489 N GLU A 38 -7.207 3.194 -8.867 1.00 0.00 N ATOM 490 CA GLU A 38 -7.843 3.557 -10.128 1.00 0.00 C ATOM 491 C GLU A 38 -6.926 3.248 -11.308 1.00 0.00 C ATOM 492 O GLU A 38 -7.337 2.609 -12.277 1.00 0.00 O ATOM 493 CB GLU A 38 -8.213 5.041 -10.131 1.00 0.00 C ATOM 494 CG GLU A 38 -9.093 5.451 -8.962 1.00 0.00 C ATOM 495 CD GLU A 38 -9.900 6.702 -9.249 1.00 0.00 C ATOM 496 OE1 GLU A 38 -10.183 6.966 -10.436 1.00 0.00 O ATOM 497 OE2 GLU A 38 -10.248 7.417 -8.286 1.00 0.00 O ATOM 0 H GLU A 38 -7.223 3.928 -8.159 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.752 2.964 -10.230 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.299 5.635 -10.113 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.728 5.277 -11.063 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.772 4.633 -8.719 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.469 5.619 -8.084 1.00 0.00 H new ATOM 504 N ARG A 39 -5.682 3.707 -11.219 1.00 0.00 N ATOM 505 CA ARG A 39 -4.707 3.482 -12.280 1.00 0.00 C ATOM 506 C ARG A 39 -4.589 1.995 -12.603 1.00 0.00 C ATOM 507 O ARG A 39 -4.323 1.616 -13.744 1.00 0.00 O ATOM 508 CB ARG A 39 -3.341 4.036 -11.871 1.00 0.00 C ATOM 509 CG ARG A 39 -3.278 5.554 -11.859 1.00 0.00 C ATOM 510 CD ARG A 39 -1.849 6.054 -12.000 1.00 0.00 C ATOM 511 NE ARG A 39 -1.793 7.402 -12.558 1.00 0.00 N ATOM 512 CZ ARG A 39 -2.029 7.679 -13.836 1.00 0.00 C ATOM 513 NH1 ARG A 39 -2.336 6.705 -14.682 1.00 0.00 N ATOM 514 NH2 ARG A 39 -1.958 8.931 -14.269 1.00 0.00 N ATOM 0 H ARG A 39 -5.325 4.237 -10.424 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.051 4.004 -13.173 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.089 3.663 -10.878 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.584 3.655 -12.556 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.885 5.951 -12.673 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.706 5.930 -10.929 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.364 6.045 -11.024 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.288 5.373 -12.640 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.560 8.173 -11.933 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.391 5.741 -14.352 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.517 6.919 -15.663 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.722 9.682 -13.621 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.139 9.142 -15.250 1.00 0.00 H new ATOM 528 N LEU A 40 -4.788 1.157 -11.591 1.00 0.00 N ATOM 529 CA LEU A 40 -4.703 -0.288 -11.767 1.00 0.00 C ATOM 530 C LEU A 40 -6.014 -0.849 -12.309 1.00 0.00 C ATOM 531 O LEU A 40 -6.018 -1.782 -13.111 1.00 0.00 O ATOM 532 CB LEU A 40 -4.357 -0.964 -10.440 1.00 0.00 C ATOM 533 CG LEU A 40 -3.098 -0.456 -9.736 1.00 0.00 C ATOM 534 CD1 LEU A 40 -2.929 -1.136 -8.387 1.00 0.00 C ATOM 535 CD2 LEU A 40 -1.871 -0.684 -10.608 1.00 0.00 C ATOM 0 H LEU A 40 -5.009 1.454 -10.641 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.914 -0.495 -12.490 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.202 -0.843 -9.762 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.243 -2.033 -10.619 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.206 0.616 -9.568 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.028 -0.762 -7.901 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.795 -0.922 -7.760 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.843 -2.213 -8.531 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.984 -0.317 -10.092 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.759 -1.750 -10.807 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.990 -0.149 -11.550 1.00 0.00 H new ATOM 547 N GLY A 41 -7.127 -0.270 -11.867 1.00 0.00 N ATOM 548 CA GLY A 41 -8.429 -0.723 -12.320 1.00 0.00 C ATOM 549 C GLY A 41 -9.333 -1.128 -11.173 1.00 0.00 C ATOM 550 O GLY A 41 -10.370 -1.759 -11.383 1.00 0.00 O ATOM 0 H GLY A 41 -7.150 0.504 -11.204 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.908 0.071 -12.893 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.301 -1.570 -12.994 1.00 0.00 H new ATOM 554 N LEU A 42 -8.941 -0.767 -9.957 1.00 0.00 N ATOM 555 CA LEU A 42 -9.722 -1.098 -8.770 1.00 0.00 C ATOM 556 C LEU A 42 -10.333 0.156 -8.153 1.00 0.00 C ATOM 557 O LEU A 42 -10.210 0.391 -6.951 1.00 0.00 O ATOM 558 CB LEU A 42 -8.846 -1.813 -7.741 1.00 0.00 C ATOM 559 CG LEU A 42 -7.957 -2.934 -8.279 1.00 0.00 C ATOM 560 CD1 LEU A 42 -6.732 -3.115 -7.395 1.00 0.00 C ATOM 561 CD2 LEU A 42 -8.741 -4.234 -8.379 1.00 0.00 C ATOM 0 H LEU A 42 -8.086 -0.244 -9.766 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.531 -1.763 -9.072 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.209 -1.072 -7.258 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.493 -2.229 -6.969 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.621 -2.657 -9.278 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.111 -3.917 -7.794 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.158 -2.188 -7.374 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.048 -3.369 -6.383 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.093 -5.021 -8.764 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.107 -4.515 -7.391 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.586 -4.098 -9.054 1.00 0.00 H new ATOM 573 N ARG A 43 -10.992 0.957 -8.983 1.00 0.00 N ATOM 574 CA ARG A 43 -11.623 2.187 -8.519 1.00 0.00 C ATOM 575 C ARG A 43 -12.938 1.887 -7.804 1.00 0.00 C ATOM 576 O ARG A 43 -13.275 2.529 -6.809 1.00 0.00 O ATOM 577 CB ARG A 43 -11.873 3.133 -9.695 1.00 0.00 C ATOM 578 CG ARG A 43 -12.738 2.528 -10.789 1.00 0.00 C ATOM 579 CD ARG A 43 -12.454 3.167 -12.139 1.00 0.00 C ATOM 580 NE ARG A 43 -13.223 2.541 -13.213 1.00 0.00 N ATOM 581 CZ ARG A 43 -12.888 2.616 -14.496 1.00 0.00 C ATOM 582 NH1 ARG A 43 -11.804 3.284 -14.864 1.00 0.00 N ATOM 583 NH2 ARG A 43 -13.638 2.020 -15.414 1.00 0.00 N ATOM 0 H ARG A 43 -11.103 0.777 -9.981 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.947 2.669 -7.813 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -12.351 4.040 -9.325 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.915 3.429 -10.123 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.556 1.455 -10.847 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.790 2.659 -10.537 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.692 4.230 -12.094 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.390 3.088 -12.361 1.00 0.00 H new ATOM 0 HE ARG A 43 -14.063 2.018 -12.964 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.224 3.742 -14.161 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.550 3.340 -15.850 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.472 1.504 -15.134 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.380 2.078 -16.399 1.00 0.00 H new ATOM 597 N SER A 44 -13.675 0.909 -8.319 1.00 0.00 N ATOM 598 CA SER A 44 -14.955 0.527 -7.733 1.00 0.00 C ATOM 599 C SER A 44 -14.753 -0.147 -6.380 1.00 0.00 C ATOM 600 O SER A 44 -15.708 -0.363 -5.632 1.00 0.00 O ATOM 601 CB SER A 44 -15.711 -0.412 -8.675 1.00 0.00 C ATOM 602 OG SER A 44 -16.292 0.305 -9.751 1.00 0.00 O ATOM 0 H SER A 44 -13.408 0.366 -9.141 1.00 0.00 H new ATOM 0 HA SER A 44 -15.543 1.432 -7.584 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.029 -1.169 -9.064 1.00 0.00 H new ATOM 0 HB3 SER A 44 -16.489 -0.938 -8.122 1.00 0.00 H new ATOM 0 HG SER A 44 -16.768 -0.317 -10.340 1.00 0.00 H new ATOM 608 N LEU A 45 -13.504 -0.478 -6.071 1.00 0.00 N ATOM 609 CA LEU A 45 -13.175 -1.128 -4.807 1.00 0.00 C ATOM 610 C LEU A 45 -12.574 -0.130 -3.822 1.00 0.00 C ATOM 611 O LEU A 45 -12.333 -0.457 -2.660 1.00 0.00 O ATOM 612 CB LEU A 45 -12.197 -2.280 -5.043 1.00 0.00 C ATOM 613 CG LEU A 45 -12.801 -3.568 -5.606 1.00 0.00 C ATOM 614 CD1 LEU A 45 -11.730 -4.408 -6.283 1.00 0.00 C ATOM 615 CD2 LEU A 45 -13.487 -4.361 -4.503 1.00 0.00 C ATOM 0 H LEU A 45 -12.703 -0.307 -6.678 1.00 0.00 H new ATOM 0 HA LEU A 45 -14.096 -1.523 -4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.421 -1.937 -5.727 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.708 -2.515 -4.098 1.00 0.00 H new ATOM 0 HG LEU A 45 -13.549 -3.301 -6.353 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.178 -5.320 -6.677 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.284 -3.840 -7.100 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.958 -4.667 -5.558 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -13.911 -5.274 -4.921 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -12.759 -4.618 -3.733 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -14.283 -3.760 -4.063 1.00 0.00 H new ATOM 627 N VAL A 46 -12.336 1.090 -4.294 1.00 0.00 N ATOM 628 CA VAL A 46 -11.766 2.137 -3.455 1.00 0.00 C ATOM 629 C VAL A 46 -12.667 2.435 -2.261 1.00 0.00 C ATOM 630 O VAL A 46 -12.219 2.425 -1.115 1.00 0.00 O ATOM 631 CB VAL A 46 -11.541 3.435 -4.252 1.00 0.00 C ATOM 632 CG1 VAL A 46 -11.047 4.545 -3.336 1.00 0.00 C ATOM 633 CG2 VAL A 46 -10.563 3.198 -5.392 1.00 0.00 C ATOM 0 H VAL A 46 -12.529 1.377 -5.253 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.804 1.769 -3.098 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.493 3.747 -4.681 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.893 5.455 -3.917 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.788 4.732 -2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.105 4.245 -2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.416 4.126 -5.944 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.608 2.861 -4.988 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.963 2.437 -6.062 1.00 0.00 H new ATOM 643 N ASP A 47 -13.939 2.700 -2.539 1.00 0.00 N ATOM 644 CA ASP A 47 -14.904 3.000 -1.488 1.00 0.00 C ATOM 645 C ASP A 47 -14.942 1.882 -0.450 1.00 0.00 C ATOM 646 O ASP A 47 -15.185 2.126 0.733 1.00 0.00 O ATOM 647 CB ASP A 47 -16.296 3.203 -2.088 1.00 0.00 C ATOM 648 CG ASP A 47 -16.357 4.397 -3.020 1.00 0.00 C ATOM 649 OD1 ASP A 47 -15.706 4.352 -4.085 1.00 0.00 O ATOM 650 OD2 ASP A 47 -17.054 5.377 -2.684 1.00 0.00 O ATOM 0 H ASP A 47 -14.325 2.713 -3.483 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.592 3.920 -0.994 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.588 2.305 -2.633 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.019 3.337 -1.283 1.00 0.00 H new ATOM 655 N THR A 48 -14.702 0.655 -0.900 1.00 0.00 N ATOM 656 CA THR A 48 -14.711 -0.501 -0.012 1.00 0.00 C ATOM 657 C THR A 48 -13.462 -0.533 0.860 1.00 0.00 C ATOM 658 O THR A 48 -13.537 -0.798 2.060 1.00 0.00 O ATOM 659 CB THR A 48 -14.805 -1.818 -0.804 1.00 0.00 C ATOM 660 OG1 THR A 48 -16.081 -1.914 -1.447 1.00 0.00 O ATOM 661 CG2 THR A 48 -14.602 -3.016 0.111 1.00 0.00 C ATOM 0 H THR A 48 -14.499 0.436 -1.875 1.00 0.00 H new ATOM 0 HA THR A 48 -15.592 -0.405 0.623 1.00 0.00 H new ATOM 0 HB THR A 48 -14.018 -1.819 -1.558 1.00 0.00 H new ATOM 0 HG1 THR A 48 -16.132 -2.754 -1.950 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.673 -3.935 -0.471 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.618 -2.956 0.576 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.370 -3.017 0.885 1.00 0.00 H new ATOM 669 N TYR A 49 -12.313 -0.262 0.250 1.00 0.00 N ATOM 670 CA TYR A 49 -11.046 -0.262 0.972 1.00 0.00 C ATOM 671 C TYR A 49 -11.017 0.843 2.023 1.00 0.00 C ATOM 672 O TYR A 49 -10.874 0.577 3.216 1.00 0.00 O ATOM 673 CB TYR A 49 -9.880 -0.085 -0.003 1.00 0.00 C ATOM 674 CG TYR A 49 -9.810 -1.160 -1.064 1.00 0.00 C ATOM 675 CD1 TYR A 49 -10.099 -2.484 -0.760 1.00 0.00 C ATOM 676 CD2 TYR A 49 -9.452 -0.852 -2.371 1.00 0.00 C ATOM 677 CE1 TYR A 49 -10.035 -3.470 -1.726 1.00 0.00 C ATOM 678 CE2 TYR A 49 -9.387 -1.830 -3.343 1.00 0.00 C ATOM 679 CZ TYR A 49 -9.679 -3.138 -3.016 1.00 0.00 C ATOM 680 OH TYR A 49 -9.614 -4.116 -3.982 1.00 0.00 O ATOM 0 H TYR A 49 -12.233 -0.040 -0.742 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.946 -1.222 1.478 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.967 0.887 -0.488 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.946 -0.079 0.558 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.379 -2.748 0.249 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.221 0.170 -2.631 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -10.263 -4.495 -1.472 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.109 -1.572 -4.354 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.069 -4.923 -3.662 1.00 0.00 H new ATOM 690 N ARG A 50 -11.155 2.085 1.570 1.00 0.00 N ATOM 691 CA ARG A 50 -11.144 3.232 2.470 1.00 0.00 C ATOM 692 C ARG A 50 -12.029 2.976 3.687 1.00 0.00 C ATOM 693 O ARG A 50 -11.863 3.608 4.729 1.00 0.00 O ATOM 694 CB ARG A 50 -11.619 4.487 1.736 1.00 0.00 C ATOM 695 CG ARG A 50 -13.103 4.475 1.406 1.00 0.00 C ATOM 696 CD ARG A 50 -13.497 5.681 0.567 1.00 0.00 C ATOM 697 NE ARG A 50 -14.912 6.012 0.715 1.00 0.00 N ATOM 698 CZ ARG A 50 -15.504 7.012 0.072 1.00 0.00 C ATOM 699 NH1 ARG A 50 -14.807 7.775 -0.759 1.00 0.00 N ATOM 700 NH2 ARG A 50 -16.795 7.251 0.259 1.00 0.00 N ATOM 0 H ARG A 50 -11.276 2.322 0.585 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.120 3.385 2.812 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.399 5.361 2.349 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.051 4.594 0.812 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.350 3.560 0.868 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.682 4.468 2.329 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.892 6.539 0.859 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.280 5.480 -0.482 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.476 5.444 1.347 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.814 7.594 -0.906 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.264 8.542 -1.252 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.335 6.666 0.897 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.248 8.019 -0.236 1.00 0.00 H new ATOM 714 N GLN A 51 -12.968 2.046 3.545 1.00 0.00 N ATOM 715 CA GLN A 51 -13.878 1.709 4.632 1.00 0.00 C ATOM 716 C GLN A 51 -13.187 0.828 5.668 1.00 0.00 C ATOM 717 O GLN A 51 -13.182 1.139 6.859 1.00 0.00 O ATOM 718 CB GLN A 51 -15.117 0.997 4.086 1.00 0.00 C ATOM 719 CG GLN A 51 -16.370 1.234 4.914 1.00 0.00 C ATOM 720 CD GLN A 51 -17.342 0.072 4.847 1.00 0.00 C ATOM 721 OE1 GLN A 51 -17.421 -0.740 5.769 1.00 0.00 O ATOM 722 NE2 GLN A 51 -18.089 -0.012 3.753 1.00 0.00 N ATOM 0 H GLN A 51 -13.118 1.513 2.688 1.00 0.00 H new ATOM 0 HA GLN A 51 -14.184 2.636 5.116 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -15.298 1.332 3.065 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -14.919 -0.074 4.040 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -16.087 1.407 5.952 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -16.867 2.139 4.564 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -17.990 0.683 3.013 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -18.762 -0.772 3.652 1.00 0.00 H new ATOM 731 N THR A 52 -12.603 -0.274 5.206 1.00 0.00 N ATOM 732 CA THR A 52 -11.910 -1.200 6.092 1.00 0.00 C ATOM 733 C THR A 52 -10.879 -0.475 6.949 1.00 0.00 C ATOM 734 O THR A 52 -10.723 0.743 6.854 1.00 0.00 O ATOM 735 CB THR A 52 -11.206 -2.317 5.297 1.00 0.00 C ATOM 736 OG1 THR A 52 -10.086 -1.779 4.585 1.00 0.00 O ATOM 737 CG2 THR A 52 -12.168 -2.974 4.319 1.00 0.00 C ATOM 0 H THR A 52 -12.597 -0.546 4.223 1.00 0.00 H new ATOM 0 HA THR A 52 -12.667 -1.645 6.738 1.00 0.00 H new ATOM 0 HB THR A 52 -10.859 -3.072 6.002 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.363 -0.975 4.098 1.00 0.00 H new ATOM 0 HG21 THR A 52 -11.648 -3.759 3.769 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.005 -3.407 4.867 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.541 -2.227 3.619 1.00 0.00 H new ATOM 745 N THR A 53 -10.176 -1.230 7.787 1.00 0.00 N ATOM 746 CA THR A 53 -9.160 -0.658 8.661 1.00 0.00 C ATOM 747 C THR A 53 -7.809 -0.580 7.958 1.00 0.00 C ATOM 748 O THR A 53 -7.121 0.438 8.026 1.00 0.00 O ATOM 749 CB THR A 53 -9.005 -1.480 9.955 1.00 0.00 C ATOM 750 OG1 THR A 53 -10.257 -1.545 10.647 1.00 0.00 O ATOM 751 CG2 THR A 53 -7.950 -0.867 10.863 1.00 0.00 C ATOM 0 H THR A 53 -10.292 -2.239 7.879 1.00 0.00 H new ATOM 0 HA THR A 53 -9.493 0.348 8.915 1.00 0.00 H new ATOM 0 HB THR A 53 -8.687 -2.487 9.683 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.150 -2.071 11.467 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.859 -1.465 11.770 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.992 -0.846 10.344 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.243 0.149 11.126 1.00 0.00 H new ATOM 759 N SER A 54 -7.436 -1.662 7.282 1.00 0.00 N ATOM 760 CA SER A 54 -6.166 -1.717 6.568 1.00 0.00 C ATOM 761 C SER A 54 -6.392 -1.867 5.067 1.00 0.00 C ATOM 762 O SER A 54 -6.246 -2.949 4.496 1.00 0.00 O ATOM 763 CB SER A 54 -5.315 -2.879 7.086 1.00 0.00 C ATOM 764 OG SER A 54 -3.956 -2.720 6.718 1.00 0.00 O ATOM 0 H SER A 54 -7.995 -2.512 7.214 1.00 0.00 H new ATOM 0 HA SER A 54 -5.637 -0.781 6.746 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.397 -2.938 8.171 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.696 -3.819 6.686 1.00 0.00 H new ATOM 0 HG SER A 54 -3.434 -3.474 7.062 1.00 0.00 H new ATOM 770 N PRO A 55 -6.758 -0.757 4.411 1.00 0.00 N ATOM 771 CA PRO A 55 -7.013 -0.738 2.967 1.00 0.00 C ATOM 772 C PRO A 55 -5.737 -0.917 2.151 1.00 0.00 C ATOM 773 O PRO A 55 -5.767 -0.889 0.921 1.00 0.00 O ATOM 774 CB PRO A 55 -7.608 0.653 2.730 1.00 0.00 C ATOM 775 CG PRO A 55 -7.078 1.487 3.845 1.00 0.00 C ATOM 776 CD PRO A 55 -6.952 0.567 5.027 1.00 0.00 C ATOM 0 HA PRO A 55 -7.666 -1.554 2.658 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.309 1.052 1.761 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.698 0.624 2.740 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.113 1.920 3.583 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.750 2.316 4.066 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.110 0.842 5.662 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.844 0.592 5.653 1.00 0.00 H new ATOM 784 N SER A 56 -4.618 -1.101 2.844 1.00 0.00 N ATOM 785 CA SER A 56 -3.331 -1.282 2.183 1.00 0.00 C ATOM 786 C SER A 56 -3.170 -2.717 1.691 1.00 0.00 C ATOM 787 O SER A 56 -2.858 -2.953 0.524 1.00 0.00 O ATOM 788 CB SER A 56 -2.189 -0.927 3.138 1.00 0.00 C ATOM 789 OG SER A 56 -2.217 -1.748 4.293 1.00 0.00 O ATOM 0 H SER A 56 -4.577 -1.129 3.863 1.00 0.00 H new ATOM 0 HA SER A 56 -3.296 -0.615 1.322 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.233 -1.045 2.627 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.267 0.120 3.430 1.00 0.00 H new ATOM 0 HG SER A 56 -1.695 -1.326 5.007 1.00 0.00 H new ATOM 795 N GLY A 57 -3.385 -3.672 2.590 1.00 0.00 N ATOM 796 CA GLY A 57 -3.259 -5.072 2.229 1.00 0.00 C ATOM 797 C GLY A 57 -4.350 -5.527 1.280 1.00 0.00 C ATOM 798 O GLY A 57 -4.068 -5.984 0.172 1.00 0.00 O ATOM 0 H GLY A 57 -3.644 -3.501 3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.286 -5.238 1.766 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.290 -5.681 3.132 1.00 0.00 H new ATOM 802 N SER A 58 -5.600 -5.403 1.714 1.00 0.00 N ATOM 803 CA SER A 58 -6.737 -5.809 0.897 1.00 0.00 C ATOM 804 C SER A 58 -6.610 -5.262 -0.521 1.00 0.00 C ATOM 805 O SER A 58 -7.216 -5.786 -1.458 1.00 0.00 O ATOM 806 CB SER A 58 -8.044 -5.325 1.528 1.00 0.00 C ATOM 807 OG SER A 58 -7.973 -3.948 1.855 1.00 0.00 O ATOM 0 H SER A 58 -5.851 -5.024 2.627 1.00 0.00 H new ATOM 0 HA SER A 58 -6.747 -6.898 0.848 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.870 -5.496 0.838 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.254 -5.905 2.427 1.00 0.00 H new ATOM 0 HG SER A 58 -8.509 -3.432 1.217 1.00 0.00 H new ATOM 813 N LEU A 59 -5.819 -4.206 -0.673 1.00 0.00 N ATOM 814 CA LEU A 59 -5.611 -3.587 -1.977 1.00 0.00 C ATOM 815 C LEU A 59 -4.639 -4.406 -2.820 1.00 0.00 C ATOM 816 O LEU A 59 -5.016 -4.974 -3.846 1.00 0.00 O ATOM 817 CB LEU A 59 -5.081 -2.162 -1.808 1.00 0.00 C ATOM 818 CG LEU A 59 -4.897 -1.357 -3.095 1.00 0.00 C ATOM 819 CD1 LEU A 59 -6.242 -1.075 -3.745 1.00 0.00 C ATOM 820 CD2 LEU A 59 -4.157 -0.058 -2.811 1.00 0.00 C ATOM 0 H LEU A 59 -5.311 -3.760 0.091 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.571 -3.553 -2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.764 -1.617 -1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.121 -2.211 -1.294 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.299 -1.948 -3.788 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.091 -0.501 -4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.735 -2.017 -3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.866 -0.504 -3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.035 0.502 -3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.729 0.538 -2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.176 -0.282 -2.391 1.00 0.00 H new ATOM 832 N LEU A 60 -3.387 -4.465 -2.381 1.00 0.00 N ATOM 833 CA LEU A 60 -2.360 -5.217 -3.094 1.00 0.00 C ATOM 834 C LEU A 60 -2.781 -6.671 -3.280 1.00 0.00 C ATOM 835 O LEU A 60 -2.808 -7.182 -4.399 1.00 0.00 O ATOM 836 CB LEU A 60 -1.033 -5.151 -2.336 1.00 0.00 C ATOM 837 CG LEU A 60 -0.361 -3.778 -2.277 1.00 0.00 C ATOM 838 CD1 LEU A 60 0.724 -3.760 -1.211 1.00 0.00 C ATOM 839 CD2 LEU A 60 0.216 -3.408 -3.635 1.00 0.00 C ATOM 0 H LEU A 60 -3.058 -4.001 -1.534 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.232 -4.766 -4.078 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.203 -5.494 -1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.339 -5.854 -2.797 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.115 -3.037 -2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.191 -2.775 -1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.283 -3.979 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.477 -4.512 -1.446 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.690 -2.428 -3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.956 -4.152 -3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.584 -3.379 -4.375 1.00 0.00 H new ATOM 851 N ARG A 61 -3.110 -7.332 -2.175 1.00 0.00 N ATOM 852 CA ARG A 61 -3.531 -8.727 -2.216 1.00 0.00 C ATOM 853 C ARG A 61 -4.636 -8.932 -3.248 1.00 0.00 C ATOM 854 O ARG A 61 -4.890 -10.054 -3.687 1.00 0.00 O ATOM 855 CB ARG A 61 -4.017 -9.177 -0.836 1.00 0.00 C ATOM 856 CG ARG A 61 -5.494 -8.912 -0.595 1.00 0.00 C ATOM 857 CD ARG A 61 -5.968 -9.542 0.705 1.00 0.00 C ATOM 858 NE ARG A 61 -5.269 -8.996 1.865 1.00 0.00 N ATOM 859 CZ ARG A 61 -5.610 -9.261 3.121 1.00 0.00 C ATOM 860 NH1 ARG A 61 -6.635 -10.061 3.378 1.00 0.00 N ATOM 861 NH2 ARG A 61 -4.924 -8.725 4.123 1.00 0.00 N ATOM 0 H ARG A 61 -3.093 -6.924 -1.240 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.671 -9.331 -2.505 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.825 -10.244 -0.722 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.435 -8.665 -0.070 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.672 -7.837 -0.566 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.076 -9.309 -1.427 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.040 -9.378 0.817 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.813 -10.620 0.663 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.475 -8.377 1.702 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.164 -10.475 2.610 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.895 -10.263 4.343 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.134 -8.109 3.929 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.186 -8.929 5.087 1.00 0.00 H new ATOM 875 N SER A 62 -5.291 -7.840 -3.630 1.00 0.00 N ATOM 876 CA SER A 62 -6.372 -7.900 -4.607 1.00 0.00 C ATOM 877 C SER A 62 -5.859 -7.572 -6.006 1.00 0.00 C ATOM 878 O SER A 62 -6.321 -8.137 -6.997 1.00 0.00 O ATOM 879 CB SER A 62 -7.491 -6.930 -4.221 1.00 0.00 C ATOM 880 OG SER A 62 -8.196 -6.484 -5.367 1.00 0.00 O ATOM 0 H SER A 62 -5.092 -6.904 -3.278 1.00 0.00 H new ATOM 0 HA SER A 62 -6.767 -8.916 -4.613 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.181 -7.420 -3.534 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.069 -6.074 -3.694 1.00 0.00 H new ATOM 0 HG SER A 62 -8.737 -5.701 -5.134 1.00 0.00 H new ATOM 886 N TYR A 63 -4.901 -6.655 -6.077 1.00 0.00 N ATOM 887 CA TYR A 63 -4.325 -6.249 -7.354 1.00 0.00 C ATOM 888 C TYR A 63 -3.757 -7.451 -8.103 1.00 0.00 C ATOM 889 O TYR A 63 -3.756 -7.485 -9.333 1.00 0.00 O ATOM 890 CB TYR A 63 -3.228 -5.206 -7.134 1.00 0.00 C ATOM 891 CG TYR A 63 -2.399 -4.930 -8.368 1.00 0.00 C ATOM 892 CD1 TYR A 63 -2.985 -4.435 -9.526 1.00 0.00 C ATOM 893 CD2 TYR A 63 -1.029 -5.166 -8.376 1.00 0.00 C ATOM 894 CE1 TYR A 63 -2.231 -4.182 -10.656 1.00 0.00 C ATOM 895 CE2 TYR A 63 -0.268 -4.915 -9.501 1.00 0.00 C ATOM 896 CZ TYR A 63 -0.873 -4.423 -10.638 1.00 0.00 C ATOM 897 OH TYR A 63 -0.118 -4.173 -11.761 1.00 0.00 O ATOM 0 H TYR A 63 -4.507 -6.179 -5.266 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.119 -5.810 -7.958 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.685 -4.275 -6.798 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.571 -5.545 -6.333 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.048 -4.245 -9.543 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.552 -5.552 -7.488 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.702 -3.798 -11.548 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.795 -5.103 -9.490 1.00 0.00 H new ATOM 0 HH TYR A 63 0.755 -4.610 -11.673 1.00 0.00 H new ATOM 907 N GLU A 64 -3.277 -8.436 -7.350 1.00 0.00 N ATOM 908 CA GLU A 64 -2.706 -9.640 -7.942 1.00 0.00 C ATOM 909 C GLU A 64 -3.805 -10.600 -8.389 1.00 0.00 C ATOM 910 O GLU A 64 -3.700 -11.235 -9.439 1.00 0.00 O ATOM 911 CB GLU A 64 -1.780 -10.337 -6.943 1.00 0.00 C ATOM 912 CG GLU A 64 -2.510 -11.251 -5.973 1.00 0.00 C ATOM 913 CD GLU A 64 -1.562 -12.057 -5.106 1.00 0.00 C ATOM 914 OE1 GLU A 64 -0.616 -11.462 -4.548 1.00 0.00 O ATOM 915 OE2 GLU A 64 -1.767 -13.283 -4.985 1.00 0.00 O ATOM 0 H GLU A 64 -3.272 -8.424 -6.330 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.127 -9.344 -8.817 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.040 -10.920 -7.492 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.235 -9.581 -6.377 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.160 -10.653 -5.335 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.152 -11.931 -6.533 1.00 0.00 H new ATOM 922 N LEU A 65 -4.857 -10.700 -7.585 1.00 0.00 N ATOM 923 CA LEU A 65 -5.977 -11.583 -7.896 1.00 0.00 C ATOM 924 C LEU A 65 -6.496 -11.327 -9.308 1.00 0.00 C ATOM 925 O LEU A 65 -6.972 -12.241 -9.980 1.00 0.00 O ATOM 926 CB LEU A 65 -7.104 -11.386 -6.882 1.00 0.00 C ATOM 927 CG LEU A 65 -6.781 -11.764 -5.436 1.00 0.00 C ATOM 928 CD1 LEU A 65 -7.785 -11.136 -4.482 1.00 0.00 C ATOM 929 CD2 LEU A 65 -6.761 -13.277 -5.272 1.00 0.00 C ATOM 0 H LEU A 65 -4.959 -10.181 -6.713 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.623 -12.612 -7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.406 -10.339 -6.904 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.964 -11.972 -7.206 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.791 -11.379 -5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.539 -11.417 -3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.750 -10.051 -4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.787 -11.490 -4.724 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.530 -13.528 -4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.737 -13.684 -5.534 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.002 -13.704 -5.927 1.00 0.00 H new ATOM 941 N ALA A 66 -6.398 -10.078 -9.751 1.00 0.00 N ATOM 942 CA ALA A 66 -6.854 -9.702 -11.083 1.00 0.00 C ATOM 943 C ALA A 66 -5.882 -10.188 -12.153 1.00 0.00 C ATOM 944 O ALA A 66 -6.260 -10.382 -13.308 1.00 0.00 O ATOM 945 CB ALA A 66 -7.032 -8.194 -11.175 1.00 0.00 C ATOM 0 H ALA A 66 -6.007 -9.309 -9.207 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.817 -10.181 -11.259 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.373 -7.928 -12.176 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.770 -7.869 -10.442 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.080 -7.702 -10.973 1.00 0.00 H new ATOM 951 N GLY A 67 -4.626 -10.382 -11.762 1.00 0.00 N ATOM 952 CA GLY A 67 -3.619 -10.842 -12.700 1.00 0.00 C ATOM 953 C GLY A 67 -2.579 -9.781 -13.001 1.00 0.00 C ATOM 954 O GLY A 67 -2.027 -9.738 -14.100 1.00 0.00 O ATOM 0 H GLY A 67 -4.288 -10.229 -10.812 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.126 -11.725 -12.294 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.103 -11.145 -13.628 1.00 0.00 H new ATOM 958 N GLY A 68 -2.312 -8.921 -12.023 1.00 0.00 N ATOM 959 CA GLY A 68 -1.334 -7.866 -12.210 1.00 0.00 C ATOM 960 C GLY A 68 0.049 -8.267 -11.736 1.00 0.00 C ATOM 961 O GLY A 68 0.192 -9.157 -10.898 1.00 0.00 O ATOM 0 H GLY A 68 -2.756 -8.936 -11.105 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.290 -7.599 -13.266 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.656 -6.976 -11.669 1.00 0.00 H new ATOM 965 N ASP A 69 1.071 -7.611 -12.275 1.00 0.00 N ATOM 966 CA ASP A 69 2.450 -7.904 -11.903 1.00 0.00 C ATOM 967 C ASP A 69 3.124 -6.675 -11.300 1.00 0.00 C ATOM 968 O ASP A 69 2.487 -5.640 -11.101 1.00 0.00 O ATOM 969 CB ASP A 69 3.238 -8.386 -13.122 1.00 0.00 C ATOM 970 CG ASP A 69 3.093 -7.456 -14.310 1.00 0.00 C ATOM 971 OD1 ASP A 69 3.318 -6.239 -14.143 1.00 0.00 O ATOM 972 OD2 ASP A 69 2.755 -7.945 -15.408 1.00 0.00 O ATOM 0 H ASP A 69 0.970 -6.872 -12.971 1.00 0.00 H new ATOM 0 HA ASP A 69 2.437 -8.694 -11.152 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.292 -8.472 -12.859 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.896 -9.383 -13.401 1.00 0.00 H new ATOM 977 N LEU A 70 4.414 -6.796 -11.011 1.00 0.00 N ATOM 978 CA LEU A 70 5.175 -5.696 -10.430 1.00 0.00 C ATOM 979 C LEU A 70 5.161 -4.479 -11.349 1.00 0.00 C ATOM 980 O LEU A 70 4.656 -3.418 -10.983 1.00 0.00 O ATOM 981 CB LEU A 70 6.617 -6.131 -10.163 1.00 0.00 C ATOM 982 CG LEU A 70 7.329 -5.424 -9.009 1.00 0.00 C ATOM 983 CD1 LEU A 70 6.573 -5.633 -7.706 1.00 0.00 C ATOM 984 CD2 LEU A 70 8.762 -5.920 -8.882 1.00 0.00 C ATOM 0 H LEU A 70 4.956 -7.646 -11.170 1.00 0.00 H new ATOM 0 HA LEU A 70 4.705 -5.421 -9.486 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.621 -7.203 -9.964 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.197 -5.974 -11.072 1.00 0.00 H new ATOM 0 HG LEU A 70 7.353 -4.356 -9.223 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.095 -5.123 -6.897 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.566 -5.228 -7.801 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.516 -6.699 -7.485 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.253 -5.406 -8.056 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.760 -6.993 -8.692 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.301 -5.717 -9.807 1.00 0.00 H new ATOM 996 N ALA A 71 5.717 -4.641 -12.545 1.00 0.00 N ATOM 997 CA ALA A 71 5.765 -3.557 -13.519 1.00 0.00 C ATOM 998 C ALA A 71 4.457 -2.773 -13.532 1.00 0.00 C ATOM 999 O ALA A 71 4.458 -1.544 -13.483 1.00 0.00 O ATOM 1000 CB ALA A 71 6.067 -4.106 -14.905 1.00 0.00 C ATOM 0 H ALA A 71 6.141 -5.513 -12.863 1.00 0.00 H new ATOM 0 HA ALA A 71 6.564 -2.875 -13.228 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.100 -3.286 -15.622 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.030 -4.616 -14.892 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.287 -4.810 -15.195 1.00 0.00 H new ATOM 1006 N GLY A 72 3.341 -3.493 -13.599 1.00 0.00 N ATOM 1007 CA GLY A 72 2.041 -2.847 -13.618 1.00 0.00 C ATOM 1008 C GLY A 72 1.874 -1.847 -12.491 1.00 0.00 C ATOM 1009 O GLY A 72 1.425 -0.721 -12.711 1.00 0.00 O ATOM 0 H GLY A 72 3.314 -4.512 -13.640 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.905 -2.340 -14.573 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.261 -3.605 -13.546 1.00 0.00 H new ATOM 1013 N LEU A 73 2.235 -2.257 -11.280 1.00 0.00 N ATOM 1014 CA LEU A 73 2.121 -1.389 -10.113 1.00 0.00 C ATOM 1015 C LEU A 73 3.201 -0.313 -10.128 1.00 0.00 C ATOM 1016 O LEU A 73 2.986 0.804 -9.655 1.00 0.00 O ATOM 1017 CB LEU A 73 2.224 -2.213 -8.828 1.00 0.00 C ATOM 1018 CG LEU A 73 1.672 -1.555 -7.563 1.00 0.00 C ATOM 1019 CD1 LEU A 73 0.163 -1.397 -7.658 1.00 0.00 C ATOM 1020 CD2 LEU A 73 2.049 -2.367 -6.332 1.00 0.00 C ATOM 0 H LEU A 73 2.609 -3.185 -11.081 1.00 0.00 H new ATOM 0 HA LEU A 73 1.147 -0.901 -10.147 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.699 -3.156 -8.982 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.273 -2.456 -8.659 1.00 0.00 H new ATOM 0 HG LEU A 73 2.115 -0.563 -7.470 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.212 -0.927 -6.749 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.084 -0.773 -8.517 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.299 -2.377 -7.776 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.648 -1.884 -5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.635 -3.372 -6.418 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.135 -2.428 -6.254 1.00 0.00 H new ATOM 1032 N LEU A 74 4.362 -0.654 -10.675 1.00 0.00 N ATOM 1033 CA LEU A 74 5.476 0.284 -10.754 1.00 0.00 C ATOM 1034 C LEU A 74 5.177 1.403 -11.747 1.00 0.00 C ATOM 1035 O LEU A 74 5.691 2.513 -11.618 1.00 0.00 O ATOM 1036 CB LEU A 74 6.756 -0.447 -11.164 1.00 0.00 C ATOM 1037 CG LEU A 74 7.354 -1.390 -10.119 1.00 0.00 C ATOM 1038 CD1 LEU A 74 8.605 -2.064 -10.662 1.00 0.00 C ATOM 1039 CD2 LEU A 74 7.667 -0.634 -8.836 1.00 0.00 C ATOM 0 H LEU A 74 4.557 -1.574 -11.071 1.00 0.00 H new ATOM 0 HA LEU A 74 5.617 0.726 -9.768 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.549 -1.022 -12.067 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.508 0.297 -11.425 1.00 0.00 H new ATOM 0 HG LEU A 74 6.620 -2.163 -9.892 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.017 -2.731 -9.905 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.351 -2.639 -11.553 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.345 -1.306 -10.918 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.092 -1.320 -8.104 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.383 0.160 -9.047 1.00 0.00 H new ATOM 0 HD23 LEU A 74 6.751 -0.199 -8.437 1.00 0.00 H new ATOM 1051 N GLU A 75 4.340 1.102 -12.735 1.00 0.00 N ATOM 1052 CA GLU A 75 3.971 2.084 -13.748 1.00 0.00 C ATOM 1053 C GLU A 75 3.007 3.119 -13.177 1.00 0.00 C ATOM 1054 O GLU A 75 3.089 4.304 -13.500 1.00 0.00 O ATOM 1055 CB GLU A 75 3.335 1.390 -14.955 1.00 0.00 C ATOM 1056 CG GLU A 75 2.340 2.261 -15.703 1.00 0.00 C ATOM 1057 CD GLU A 75 2.126 1.806 -17.133 1.00 0.00 C ATOM 1058 OE1 GLU A 75 3.128 1.505 -17.816 1.00 0.00 O ATOM 1059 OE2 GLU A 75 0.958 1.751 -17.571 1.00 0.00 O ATOM 0 H GLU A 75 3.905 0.187 -12.855 1.00 0.00 H new ATOM 0 HA GLU A 75 4.878 2.596 -14.068 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.122 1.080 -15.642 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.831 0.484 -14.619 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.386 2.251 -15.176 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.693 3.292 -15.703 1.00 0.00 H new ATOM 1066 N ALA A 76 2.094 2.663 -12.326 1.00 0.00 N ATOM 1067 CA ALA A 76 1.115 3.549 -11.708 1.00 0.00 C ATOM 1068 C ALA A 76 1.757 4.403 -10.621 1.00 0.00 C ATOM 1069 O ALA A 76 1.621 5.627 -10.617 1.00 0.00 O ATOM 1070 CB ALA A 76 -0.040 2.741 -11.135 1.00 0.00 C ATOM 0 H ALA A 76 2.012 1.685 -12.049 1.00 0.00 H new ATOM 0 HA ALA A 76 0.729 4.218 -12.478 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.764 3.415 -10.677 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.523 2.179 -11.935 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.338 2.049 -10.383 1.00 0.00 H new ATOM 1076 N LEU A 77 2.456 3.751 -9.698 1.00 0.00 N ATOM 1077 CA LEU A 77 3.119 4.452 -8.604 1.00 0.00 C ATOM 1078 C LEU A 77 3.970 5.603 -9.131 1.00 0.00 C ATOM 1079 O LEU A 77 3.854 6.737 -8.666 1.00 0.00 O ATOM 1080 CB LEU A 77 3.992 3.481 -7.806 1.00 0.00 C ATOM 1081 CG LEU A 77 3.247 2.413 -7.004 1.00 0.00 C ATOM 1082 CD1 LEU A 77 4.197 1.302 -6.585 1.00 0.00 C ATOM 1083 CD2 LEU A 77 2.576 3.031 -5.787 1.00 0.00 C ATOM 0 H LEU A 77 2.578 2.738 -9.686 1.00 0.00 H new ATOM 0 HA LEU A 77 2.351 4.863 -7.949 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.670 2.981 -8.498 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.609 4.059 -7.118 1.00 0.00 H new ATOM 0 HG LEU A 77 2.474 1.982 -7.640 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.650 0.551 -6.015 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.630 0.840 -7.472 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.993 1.718 -5.967 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.051 2.256 -5.228 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.331 3.490 -5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.864 3.791 -6.110 1.00 0.00 H new ATOM 1095 N SER A 78 4.824 5.304 -10.105 1.00 0.00 N ATOM 1096 CA SER A 78 5.695 6.314 -10.694 1.00 0.00 C ATOM 1097 C SER A 78 4.887 7.514 -11.177 1.00 0.00 C ATOM 1098 O SER A 78 5.107 8.642 -10.737 1.00 0.00 O ATOM 1099 CB SER A 78 6.489 5.716 -11.858 1.00 0.00 C ATOM 1100 OG SER A 78 7.660 5.066 -11.396 1.00 0.00 O ATOM 0 H SER A 78 4.931 4.371 -10.503 1.00 0.00 H new ATOM 0 HA SER A 78 6.390 6.653 -9.925 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.865 5.006 -12.401 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.760 6.504 -12.560 1.00 0.00 H new ATOM 0 HG SER A 78 8.148 4.691 -12.158 1.00 0.00 H new ATOM 1106 N ASP A 79 3.951 7.262 -12.085 1.00 0.00 N ATOM 1107 CA ASP A 79 3.108 8.320 -12.629 1.00 0.00 C ATOM 1108 C ASP A 79 2.548 9.196 -11.513 1.00 0.00 C ATOM 1109 O ASP A 79 2.361 10.399 -11.689 1.00 0.00 O ATOM 1110 CB ASP A 79 1.964 7.720 -13.447 1.00 0.00 C ATOM 1111 CG ASP A 79 1.451 8.672 -14.510 1.00 0.00 C ATOM 1112 OD1 ASP A 79 1.568 9.899 -14.313 1.00 0.00 O ATOM 1113 OD2 ASP A 79 0.933 8.189 -15.539 1.00 0.00 O ATOM 0 H ASP A 79 3.757 6.334 -12.460 1.00 0.00 H new ATOM 0 HA ASP A 79 3.722 8.942 -13.280 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.304 6.800 -13.921 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.146 7.451 -12.779 1.00 0.00 H new ATOM 1118 N MET A 80 2.281 8.582 -10.364 1.00 0.00 N ATOM 1119 CA MET A 80 1.741 9.307 -9.219 1.00 0.00 C ATOM 1120 C MET A 80 2.822 10.150 -8.551 1.00 0.00 C ATOM 1121 O MET A 80 2.569 11.276 -8.124 1.00 0.00 O ATOM 1122 CB MET A 80 1.142 8.329 -8.206 1.00 0.00 C ATOM 1123 CG MET A 80 -0.097 7.611 -8.715 1.00 0.00 C ATOM 1124 SD MET A 80 -0.943 6.684 -7.420 1.00 0.00 S ATOM 1125 CE MET A 80 -1.020 7.914 -6.119 1.00 0.00 C ATOM 0 H MET A 80 2.430 7.586 -10.201 1.00 0.00 H new ATOM 0 HA MET A 80 0.956 9.973 -9.579 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.896 7.589 -7.938 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.889 8.872 -7.295 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.785 8.340 -9.143 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.186 6.930 -9.518 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.834 7.671 -5.436 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.077 7.924 -5.572 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.196 8.896 -6.557 1.00 0.00 H new ATOM 1135 N GLY A 81 4.029 9.598 -8.464 1.00 0.00 N ATOM 1136 CA GLY A 81 5.130 10.314 -7.847 1.00 0.00 C ATOM 1137 C GLY A 81 5.741 9.550 -6.689 1.00 0.00 C ATOM 1138 O GLY A 81 6.656 10.040 -6.026 1.00 0.00 O ATOM 0 H GLY A 81 4.263 8.668 -8.810 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.898 10.509 -8.596 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.777 11.283 -7.493 1.00 0.00 H new ATOM 1142 N LEU A 82 5.234 8.347 -6.442 1.00 0.00 N ATOM 1143 CA LEU A 82 5.735 7.514 -5.355 1.00 0.00 C ATOM 1144 C LEU A 82 6.964 6.726 -5.794 1.00 0.00 C ATOM 1145 O LEU A 82 6.937 5.497 -5.852 1.00 0.00 O ATOM 1146 CB LEU A 82 4.643 6.554 -4.877 1.00 0.00 C ATOM 1147 CG LEU A 82 3.355 7.202 -4.369 1.00 0.00 C ATOM 1148 CD1 LEU A 82 2.196 6.221 -4.452 1.00 0.00 C ATOM 1149 CD2 LEU A 82 3.534 7.699 -2.942 1.00 0.00 C ATOM 0 H LEU A 82 4.476 7.927 -6.980 1.00 0.00 H new ATOM 0 HA LEU A 82 6.021 8.168 -4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.390 5.885 -5.700 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.054 5.936 -4.079 1.00 0.00 H new ATOM 0 HG LEU A 82 3.127 8.058 -5.004 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.287 6.699 -4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.053 5.914 -5.488 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.416 5.345 -3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.607 8.157 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.787 6.860 -2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.336 8.436 -2.911 1.00 0.00 H new ATOM 1161 N GLU A 83 8.042 7.442 -6.101 1.00 0.00 N ATOM 1162 CA GLU A 83 9.282 6.808 -6.534 1.00 0.00 C ATOM 1163 C GLU A 83 9.763 5.793 -5.501 1.00 0.00 C ATOM 1164 O GLU A 83 10.440 4.823 -5.839 1.00 0.00 O ATOM 1165 CB GLU A 83 10.364 7.864 -6.770 1.00 0.00 C ATOM 1166 CG GLU A 83 10.540 8.827 -5.608 1.00 0.00 C ATOM 1167 CD GLU A 83 11.098 10.168 -6.042 1.00 0.00 C ATOM 1168 OE1 GLU A 83 10.494 10.803 -6.932 1.00 0.00 O ATOM 1169 OE2 GLU A 83 12.138 10.584 -5.490 1.00 0.00 O ATOM 0 H GLU A 83 8.081 8.460 -6.058 1.00 0.00 H new ATOM 0 HA GLU A 83 9.086 6.284 -7.469 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.313 7.363 -6.962 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.116 8.432 -7.667 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.578 8.979 -5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.207 8.382 -4.870 1.00 0.00 H new ATOM 1176 N GLU A 84 9.408 6.026 -4.241 1.00 0.00 N ATOM 1177 CA GLU A 84 9.806 5.132 -3.159 1.00 0.00 C ATOM 1178 C GLU A 84 9.159 3.760 -3.322 1.00 0.00 C ATOM 1179 O GLU A 84 9.845 2.758 -3.524 1.00 0.00 O ATOM 1180 CB GLU A 84 9.421 5.732 -1.805 1.00 0.00 C ATOM 1181 CG GLU A 84 10.115 5.071 -0.627 1.00 0.00 C ATOM 1182 CD GLU A 84 11.488 5.655 -0.356 1.00 0.00 C ATOM 1183 OE1 GLU A 84 12.400 5.435 -1.180 1.00 0.00 O ATOM 1184 OE2 GLU A 84 11.650 6.333 0.681 1.00 0.00 O ATOM 0 H GLU A 84 8.847 6.824 -3.945 1.00 0.00 H new ATOM 0 HA GLU A 84 10.889 5.011 -3.200 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.661 6.795 -1.807 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.342 5.649 -1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.495 5.181 0.263 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.210 4.002 -0.819 1.00 0.00 H new ATOM 1191 N GLY A 85 7.833 3.722 -3.232 1.00 0.00 N ATOM 1192 CA GLY A 85 7.115 2.469 -3.370 1.00 0.00 C ATOM 1193 C GLY A 85 7.567 1.672 -4.579 1.00 0.00 C ATOM 1194 O GLY A 85 7.332 0.467 -4.660 1.00 0.00 O ATOM 0 H GLY A 85 7.243 4.537 -3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.258 1.871 -2.470 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.047 2.673 -3.451 1.00 0.00 H new ATOM 1198 N VAL A 86 8.217 2.348 -5.521 1.00 0.00 N ATOM 1199 CA VAL A 86 8.703 1.696 -6.732 1.00 0.00 C ATOM 1200 C VAL A 86 10.060 1.043 -6.497 1.00 0.00 C ATOM 1201 O VAL A 86 10.177 -0.183 -6.485 1.00 0.00 O ATOM 1202 CB VAL A 86 8.820 2.694 -7.898 1.00 0.00 C ATOM 1203 CG1 VAL A 86 9.720 2.137 -8.990 1.00 0.00 C ATOM 1204 CG2 VAL A 86 7.444 3.032 -8.451 1.00 0.00 C ATOM 0 H VAL A 86 8.419 3.346 -5.469 1.00 0.00 H new ATOM 0 HA VAL A 86 7.974 0.929 -6.993 1.00 0.00 H new ATOM 0 HB VAL A 86 9.271 3.613 -7.522 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.790 2.857 -9.806 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.714 1.951 -8.583 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.302 1.203 -9.365 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.546 3.739 -9.274 1.00 0.00 H new ATOM 0 HG22 VAL A 86 6.963 2.122 -8.811 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.835 3.477 -7.664 1.00 0.00 H new ATOM 1214 N ARG A 87 11.084 1.869 -6.312 1.00 0.00 N ATOM 1215 CA ARG A 87 12.435 1.372 -6.078 1.00 0.00 C ATOM 1216 C ARG A 87 12.432 0.259 -5.035 1.00 0.00 C ATOM 1217 O ARG A 87 13.366 -0.540 -4.961 1.00 0.00 O ATOM 1218 CB ARG A 87 13.348 2.511 -5.621 1.00 0.00 C ATOM 1219 CG ARG A 87 13.519 3.609 -6.658 1.00 0.00 C ATOM 1220 CD ARG A 87 13.958 4.917 -6.019 1.00 0.00 C ATOM 1221 NE ARG A 87 15.351 4.871 -5.580 1.00 0.00 N ATOM 1222 CZ ARG A 87 16.385 4.877 -6.414 1.00 0.00 C ATOM 1223 NH1 ARG A 87 16.184 4.928 -7.723 1.00 0.00 N ATOM 1224 NH2 ARG A 87 17.622 4.834 -5.938 1.00 0.00 N ATOM 0 H ARG A 87 11.004 2.886 -6.320 1.00 0.00 H new ATOM 0 HA ARG A 87 12.813 0.966 -7.016 1.00 0.00 H new ATOM 0 HB2 ARG A 87 12.942 2.946 -4.707 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.327 2.102 -5.372 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.256 3.299 -7.399 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.579 3.760 -7.188 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.830 5.730 -6.733 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.316 5.137 -5.166 1.00 0.00 H new ATOM 0 HE ARG A 87 15.540 4.832 -4.578 1.00 0.00 H new ATOM 0 HH11 ARG A 87 15.234 4.963 -8.092 1.00 0.00 H new ATOM 0 HH12 ARG A 87 16.980 4.933 -8.361 1.00 0.00 H new ATOM 0 HH21 ARG A 87 17.780 4.796 -4.931 1.00 0.00 H new ATOM 0 HH22 ARG A 87 18.416 4.839 -6.579 1.00 0.00 H new ATOM 1238 N LEU A 88 11.375 0.212 -4.231 1.00 0.00 N ATOM 1239 CA LEU A 88 11.250 -0.804 -3.191 1.00 0.00 C ATOM 1240 C LEU A 88 10.791 -2.133 -3.781 1.00 0.00 C ATOM 1241 O LEU A 88 11.470 -3.152 -3.648 1.00 0.00 O ATOM 1242 CB LEU A 88 10.265 -0.342 -2.116 1.00 0.00 C ATOM 1243 CG LEU A 88 10.501 -0.893 -0.709 1.00 0.00 C ATOM 1244 CD1 LEU A 88 9.501 -0.298 0.271 1.00 0.00 C ATOM 1245 CD2 LEU A 88 10.411 -2.412 -0.709 1.00 0.00 C ATOM 0 H LEU A 88 10.593 0.865 -4.279 1.00 0.00 H new ATOM 0 HA LEU A 88 12.231 -0.949 -2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.294 0.747 -2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.259 -0.620 -2.430 1.00 0.00 H new ATOM 0 HG LEU A 88 11.504 -0.609 -0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.684 -0.701 1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 88 9.613 0.786 0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.489 -0.552 -0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.582 -2.787 0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.421 -2.718 -1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.166 -2.821 -1.380 1.00 0.00 H new ATOM 1257 N LEU A 89 9.634 -2.116 -4.434 1.00 0.00 N ATOM 1258 CA LEU A 89 9.084 -3.320 -5.047 1.00 0.00 C ATOM 1259 C LEU A 89 10.096 -3.962 -5.991 1.00 0.00 C ATOM 1260 O LEU A 89 10.354 -5.164 -5.915 1.00 0.00 O ATOM 1261 CB LEU A 89 7.800 -2.987 -5.809 1.00 0.00 C ATOM 1262 CG LEU A 89 6.639 -2.456 -4.968 1.00 0.00 C ATOM 1263 CD1 LEU A 89 5.606 -1.775 -5.852 1.00 0.00 C ATOM 1264 CD2 LEU A 89 5.999 -3.584 -4.170 1.00 0.00 C ATOM 0 H LEU A 89 9.059 -1.282 -4.553 1.00 0.00 H new ATOM 0 HA LEU A 89 8.855 -4.030 -4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.037 -2.247 -6.574 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.466 -3.886 -6.328 1.00 0.00 H new ATOM 0 HG LEU A 89 7.031 -1.718 -4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.787 -1.404 -5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.071 -0.941 -6.379 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.218 -2.491 -6.577 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.174 -3.188 -3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.622 -4.345 -4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.742 -4.028 -3.507 1.00 0.00 H new ATOM 1276 N ARG A 90 10.668 -3.153 -6.876 1.00 0.00 N ATOM 1277 CA ARG A 90 11.653 -3.642 -7.833 1.00 0.00 C ATOM 1278 C ARG A 90 13.007 -3.853 -7.161 1.00 0.00 C ATOM 1279 O ARG A 90 13.724 -4.803 -7.470 1.00 0.00 O ATOM 1280 CB ARG A 90 11.797 -2.659 -8.997 1.00 0.00 C ATOM 1281 CG ARG A 90 12.197 -1.258 -8.564 1.00 0.00 C ATOM 1282 CD ARG A 90 13.703 -1.062 -8.633 1.00 0.00 C ATOM 1283 NE ARG A 90 14.270 -1.608 -9.863 1.00 0.00 N ATOM 1284 CZ ARG A 90 14.162 -1.017 -11.048 1.00 0.00 C ATOM 1285 NH1 ARG A 90 13.511 0.132 -11.162 1.00 0.00 N ATOM 1286 NH2 ARG A 90 14.706 -1.576 -12.122 1.00 0.00 N ATOM 0 H ARG A 90 10.466 -2.156 -6.950 1.00 0.00 H new ATOM 0 HA ARG A 90 11.304 -4.601 -8.217 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.542 -3.041 -9.695 1.00 0.00 H new ATOM 0 HB3 ARG A 90 10.852 -2.607 -9.537 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.704 -0.524 -9.202 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.852 -1.078 -7.546 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.934 0.001 -8.568 1.00 0.00 H new ATOM 0 HD3 ARG A 90 14.171 -1.542 -7.774 1.00 0.00 H new ATOM 0 HE ARG A 90 14.777 -2.492 -9.809 1.00 0.00 H new ATOM 0 HH11 ARG A 90 13.092 0.564 -10.339 1.00 0.00 H new ATOM 0 HH12 ARG A 90 13.429 0.584 -12.073 1.00 0.00 H new ATOM 0 HH21 ARG A 90 15.208 -2.460 -12.038 1.00 0.00 H new ATOM 0 HH22 ARG A 90 14.622 -1.121 -13.031 1.00 0.00 H new