USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 888 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 130 ASN : amide:sc= 0 K(o=-1,f=-0.34) USER MOD Set 1.2: A 137 GLN : amide:sc= -1.04! K(o=-1!,f=-0.18) USER MOD Set 2.1: A 101 ASN : amide:sc= -2.83! K(o=-3!,f=2.1) USER MOD Set 2.2: A 103 SER OG : rot 180:sc= -0.156 USER MOD Set 3.1: A 23 ASN : amide:sc= 1.35 K(o=2.5,f=-2.8!) USER MOD Set 3.2: A 30 THR OG1 : rot 120:sc= -0.161 USER MOD Set 3.3: A 91 SER OG : rot -139:sc= 0.374 USER MOD Set 3.4: A 92 SER OG : rot 136:sc= 0.978 USER MOD Set 4.1: A 29 SER OG : rot 123:sc= 1.24 USER MOD Set 4.2: A 143 SER OG : rot 131:sc= 1.3 USER MOD Single : A 14 SER OG : rot 180:sc= 0.00802 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.429 K(o=-0.43,f=-2.5!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0146 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0358 USER MOD Single : A 40 SER OG : rot -130:sc= 0.0769 USER MOD Single : A 41 GLN : amide:sc= -0.0903 K(o=-0.09,f=-0.61) USER MOD Single : A 42 GLN : amide:sc= -0.12 K(o=-0.12,f=-0.74) USER MOD Single : A 45 SER OG : rot -4:sc= 1.06 USER MOD Single : A 46 SER OG : rot 180:sc= 0.205 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 53 GLN : amide:sc= -1.78! C(o=-1.8!,f=-3!) USER MOD Single : A 54 SER OG : rot 140:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 65 ASN : amide:sc= -1.7! K(o=-1.7!,f=-1.1) USER MOD Single : A 72 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.83) USER MOD Single : A 75 SER OG : rot -76:sc= 1.16 USER MOD Single : A 86 TYR OH : rot 180:sc= -1.13 USER MOD Single : A 88 GLN : amide:sc= 0.395 K(o=0.4,f=-0.18) USER MOD Single : A 96 ASN : amide:sc= -1.6 K(o=-1.6,f=-1) USER MOD Single : A 104 ASN : amide:sc= -2.32 K(o=-2.3,f=-6.8!) USER MOD Single : A 107 THR OG1 : rot 81:sc= 1.23 USER MOD Single : A 110 SER OG : rot 180:sc= 0.0422 USER MOD Single : A 114 SER OG : rot -52:sc= 1.31 USER MOD Single : A 118 ASN : amide:sc= -1.68 X(o=-1.7,f=-1.7!) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -0.0562 X(o=-0.056,f=-0.4) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0.00252 USER MOD Single : A 138 SER OG : rot 95:sc= 0.0421 USER MOD Single : A 141 SER OG : rot 99:sc= 1.23 USER MOD Single : A 142 SER OG : rot 87:sc= 0.452 USER MOD Single : A 144 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 123 N GLY A 12 -2.432 -5.590 -13.472 1.00 0.00 N ATOM 124 CA GLY A 12 -1.728 -5.073 -14.621 1.00 0.00 C ATOM 125 C GLY A 12 -0.416 -5.790 -14.850 1.00 0.00 C ATOM 126 O GLY A 12 -0.162 -6.843 -14.257 1.00 0.00 O ATOM 0 HA2 GLY A 12 -2.356 -5.173 -15.506 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.540 -4.008 -14.483 1.00 0.00 H new ATOM 130 N ALA A 13 0.429 -5.216 -15.697 1.00 0.00 N ATOM 131 CA ALA A 13 1.743 -5.789 -15.989 1.00 0.00 C ATOM 132 C ALA A 13 2.705 -5.525 -14.840 1.00 0.00 C ATOM 133 O ALA A 13 3.865 -5.942 -14.867 1.00 0.00 O ATOM 134 CB ALA A 13 2.291 -5.217 -17.286 1.00 0.00 C ATOM 0 H ALA A 13 0.229 -4.350 -16.197 1.00 0.00 H new ATOM 0 HA ALA A 13 1.635 -6.867 -16.105 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.269 -5.652 -17.491 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.610 -5.453 -18.104 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.387 -4.135 -17.195 1.00 0.00 H new ATOM 140 N SER A 14 2.211 -4.833 -13.833 1.00 0.00 N ATOM 141 CA SER A 14 2.980 -4.529 -12.663 1.00 0.00 C ATOM 142 C SER A 14 3.086 -5.756 -11.768 1.00 0.00 C ATOM 143 O SER A 14 4.041 -5.901 -11.016 1.00 0.00 O ATOM 144 CB SER A 14 2.320 -3.381 -11.908 1.00 0.00 C ATOM 145 OG SER A 14 0.949 -3.656 -11.681 1.00 0.00 O ATOM 0 H SER A 14 1.259 -4.468 -13.812 1.00 0.00 H new ATOM 0 HA SER A 14 3.986 -4.233 -12.961 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.828 -3.225 -10.956 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.422 -2.458 -12.478 1.00 0.00 H new ATOM 0 HG SER A 14 0.542 -2.909 -11.194 1.00 0.00 H new ATOM 151 N ALA A 15 2.107 -6.656 -11.895 1.00 0.00 N ATOM 152 CA ALA A 15 2.021 -7.864 -11.071 1.00 0.00 C ATOM 153 C ALA A 15 3.276 -8.735 -11.163 1.00 0.00 C ATOM 154 O ALA A 15 3.554 -9.533 -10.267 1.00 0.00 O ATOM 155 CB ALA A 15 0.789 -8.666 -11.449 1.00 0.00 C ATOM 0 H ALA A 15 1.351 -6.567 -12.573 1.00 0.00 H new ATOM 0 HA ALA A 15 1.941 -7.539 -10.034 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.734 -9.562 -10.831 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.103 -8.060 -11.289 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.850 -8.953 -12.499 1.00 0.00 H new ATOM 161 N GLY A 16 4.013 -8.597 -12.244 1.00 0.00 N ATOM 162 CA GLY A 16 5.234 -9.352 -12.399 1.00 0.00 C ATOM 163 C GLY A 16 6.437 -8.640 -11.808 1.00 0.00 C ATOM 164 O GLY A 16 7.299 -9.257 -11.190 1.00 0.00 O ATOM 0 H GLY A 16 3.790 -7.975 -13.021 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.120 -10.324 -11.919 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.410 -9.538 -13.458 1.00 0.00 H new ATOM 168 N LEU A 17 6.482 -7.330 -11.979 1.00 0.00 N ATOM 169 CA LEU A 17 7.625 -6.546 -11.535 1.00 0.00 C ATOM 170 C LEU A 17 7.548 -6.170 -10.056 1.00 0.00 C ATOM 171 O LEU A 17 8.570 -5.956 -9.432 1.00 0.00 O ATOM 172 CB LEU A 17 7.793 -5.289 -12.416 1.00 0.00 C ATOM 173 CG LEU A 17 6.603 -4.311 -12.448 1.00 0.00 C ATOM 174 CD1 LEU A 17 6.675 -3.300 -11.313 1.00 0.00 C ATOM 175 CD2 LEU A 17 6.519 -3.605 -13.791 1.00 0.00 C ATOM 0 H LEU A 17 5.742 -6.786 -12.422 1.00 0.00 H new ATOM 0 HA LEU A 17 8.506 -7.178 -11.647 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.673 -4.745 -12.072 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.997 -5.612 -13.437 1.00 0.00 H new ATOM 0 HG LEU A 17 5.695 -4.898 -12.309 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.819 -2.628 -11.370 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.662 -3.824 -10.357 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.596 -2.723 -11.398 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.671 -2.920 -13.789 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.438 -3.045 -13.966 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.388 -4.343 -14.582 1.00 0.00 H new ATOM 187 N ILE A 18 6.333 -6.115 -9.504 1.00 0.00 N ATOM 188 CA ILE A 18 6.106 -5.690 -8.103 1.00 0.00 C ATOM 189 C ILE A 18 7.076 -6.328 -7.099 1.00 0.00 C ATOM 190 O ILE A 18 7.583 -5.652 -6.204 1.00 0.00 O ATOM 191 CB ILE A 18 4.658 -5.963 -7.641 1.00 0.00 C ATOM 192 CG1 ILE A 18 4.213 -7.374 -8.049 1.00 0.00 C ATOM 193 CG2 ILE A 18 3.708 -4.905 -8.180 1.00 0.00 C ATOM 194 CD1 ILE A 18 2.814 -7.734 -7.597 1.00 0.00 C ATOM 0 H ILE A 18 5.479 -6.360 -10.004 1.00 0.00 H new ATOM 0 HA ILE A 18 6.292 -4.616 -8.112 1.00 0.00 H new ATOM 0 HB ILE A 18 4.631 -5.908 -6.553 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.267 -7.461 -9.134 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.915 -8.099 -7.636 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.695 -5.119 -7.841 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.012 -3.924 -7.816 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.735 -4.913 -9.270 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.575 -8.746 -7.924 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.758 -7.682 -6.510 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.100 -7.034 -8.031 1.00 0.00 H new ATOM 206 N SER A 19 7.333 -7.605 -7.251 1.00 0.00 N ATOM 207 CA SER A 19 8.209 -8.310 -6.341 1.00 0.00 C ATOM 208 C SER A 19 9.686 -8.125 -6.710 1.00 0.00 C ATOM 209 O SER A 19 10.562 -8.334 -5.889 1.00 0.00 O ATOM 210 CB SER A 19 7.847 -9.788 -6.317 1.00 0.00 C ATOM 211 OG SER A 19 6.492 -9.968 -5.939 1.00 0.00 O ATOM 0 H SER A 19 6.947 -8.181 -7.999 1.00 0.00 H new ATOM 0 HA SER A 19 8.070 -7.887 -5.346 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.016 -10.224 -7.301 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.497 -10.315 -5.619 1.00 0.00 H new ATOM 0 HG SER A 19 6.279 -10.925 -5.931 1.00 0.00 H new ATOM 217 N ARG A 20 9.941 -7.740 -7.950 1.00 0.00 N ATOM 218 CA ARG A 20 11.306 -7.583 -8.453 1.00 0.00 C ATOM 219 C ARG A 20 11.911 -6.207 -8.181 1.00 0.00 C ATOM 220 O ARG A 20 13.127 -6.071 -8.151 1.00 0.00 O ATOM 221 CB ARG A 20 11.368 -7.895 -9.945 1.00 0.00 C ATOM 222 CG ARG A 20 11.331 -9.374 -10.246 1.00 0.00 C ATOM 223 CD ARG A 20 11.434 -9.652 -11.729 1.00 0.00 C ATOM 224 NE ARG A 20 11.842 -11.034 -11.977 1.00 0.00 N ATOM 225 CZ ARG A 20 11.460 -11.766 -13.020 1.00 0.00 C ATOM 226 NH1 ARG A 20 10.593 -11.281 -13.897 1.00 0.00 N ATOM 227 NH2 ARG A 20 11.934 -12.994 -13.175 1.00 0.00 N ATOM 0 H ARG A 20 9.217 -7.528 -8.636 1.00 0.00 H new ATOM 0 HA ARG A 20 11.910 -8.300 -7.897 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.532 -7.408 -10.446 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.281 -7.469 -10.361 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.150 -9.871 -9.726 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.404 -9.800 -9.861 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.472 -9.462 -12.206 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.154 -8.970 -12.181 1.00 0.00 H new ATOM 0 HE ARG A 20 12.467 -11.470 -11.299 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.215 -10.342 -13.774 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.304 -11.847 -14.695 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.591 -13.377 -12.495 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.642 -13.556 -13.974 1.00 0.00 H new ATOM 241 N VAL A 21 11.073 -5.188 -7.996 1.00 0.00 N ATOM 242 CA VAL A 21 11.583 -3.818 -7.813 1.00 0.00 C ATOM 243 C VAL A 21 12.254 -3.620 -6.427 1.00 0.00 C ATOM 244 O VAL A 21 12.839 -4.541 -5.870 1.00 0.00 O ATOM 245 CB VAL A 21 10.484 -2.732 -8.010 1.00 0.00 C ATOM 246 CG1 VAL A 21 11.100 -1.469 -8.578 1.00 0.00 C ATOM 247 CG2 VAL A 21 9.364 -3.210 -8.913 1.00 0.00 C ATOM 0 H VAL A 21 10.057 -5.275 -7.968 1.00 0.00 H new ATOM 0 HA VAL A 21 12.335 -3.690 -8.592 1.00 0.00 H new ATOM 0 HB VAL A 21 10.051 -2.524 -7.031 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.325 -0.715 -8.713 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.857 -1.092 -7.890 1.00 0.00 H new ATOM 0 HG13 VAL A 21 11.562 -1.690 -9.540 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.621 -2.420 -9.021 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.769 -3.463 -9.893 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.895 -4.091 -8.476 1.00 0.00 H new ATOM 257 N ALA A 22 12.138 -2.401 -5.888 1.00 0.00 N ATOM 258 CA ALA A 22 12.780 -2.010 -4.632 1.00 0.00 C ATOM 259 C ALA A 22 12.488 -2.982 -3.492 1.00 0.00 C ATOM 260 O ALA A 22 13.334 -3.204 -2.634 1.00 0.00 O ATOM 261 CB ALA A 22 12.350 -0.602 -4.248 1.00 0.00 C ATOM 0 H ALA A 22 11.591 -1.654 -6.316 1.00 0.00 H new ATOM 0 HA ALA A 22 13.857 -2.035 -4.799 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.831 -0.317 -3.312 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.643 0.095 -5.034 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.268 -0.574 -4.123 1.00 0.00 H new ATOM 267 N ASN A 23 11.298 -3.567 -3.497 1.00 0.00 N ATOM 268 CA ASN A 23 10.910 -4.505 -2.446 1.00 0.00 C ATOM 269 C ASN A 23 11.757 -5.775 -2.468 1.00 0.00 C ATOM 270 O ASN A 23 11.900 -6.435 -1.453 1.00 0.00 O ATOM 271 CB ASN A 23 9.413 -4.835 -2.506 1.00 0.00 C ATOM 272 CG ASN A 23 8.571 -3.882 -1.658 1.00 0.00 C ATOM 273 OD1 ASN A 23 8.309 -4.136 -0.480 1.00 0.00 O ATOM 274 ND2 ASN A 23 8.138 -2.790 -2.251 1.00 0.00 N ATOM 0 H ASN A 23 10.587 -3.412 -4.211 1.00 0.00 H new ATOM 0 HA ASN A 23 11.101 -4.007 -1.496 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.075 -4.790 -3.541 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.255 -5.858 -2.163 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.566 -2.122 -1.734 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.374 -2.612 -3.227 1.00 0.00 H new ATOM 281 N ALA A 24 12.327 -6.106 -3.622 1.00 0.00 N ATOM 282 CA ALA A 24 13.185 -7.286 -3.727 1.00 0.00 C ATOM 283 C ALA A 24 14.495 -7.047 -3.000 1.00 0.00 C ATOM 284 O ALA A 24 14.991 -7.916 -2.286 1.00 0.00 O ATOM 285 CB ALA A 24 13.453 -7.632 -5.183 1.00 0.00 C ATOM 0 H ALA A 24 12.214 -5.582 -4.490 1.00 0.00 H new ATOM 0 HA ALA A 24 12.668 -8.126 -3.263 1.00 0.00 H new ATOM 0 HB1 ALA A 24 14.093 -8.513 -5.236 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.509 -7.839 -5.688 1.00 0.00 H new ATOM 0 HB3 ALA A 24 13.949 -6.793 -5.671 1.00 0.00 H new ATOM 291 N LEU A 25 15.044 -5.851 -3.179 1.00 0.00 N ATOM 292 CA LEU A 25 16.297 -5.477 -2.536 1.00 0.00 C ATOM 293 C LEU A 25 16.049 -5.041 -1.098 1.00 0.00 C ATOM 294 O LEU A 25 16.972 -4.951 -0.295 1.00 0.00 O ATOM 295 CB LEU A 25 17.018 -4.365 -3.325 1.00 0.00 C ATOM 296 CG LEU A 25 17.641 -4.772 -4.681 1.00 0.00 C ATOM 297 CD1 LEU A 25 18.583 -5.960 -4.515 1.00 0.00 C ATOM 298 CD2 LEU A 25 16.565 -5.080 -5.719 1.00 0.00 C ATOM 0 H LEU A 25 14.639 -5.122 -3.766 1.00 0.00 H new ATOM 0 HA LEU A 25 16.945 -6.353 -2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.307 -3.559 -3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 25 17.809 -3.958 -2.695 1.00 0.00 H new ATOM 0 HG LEU A 25 18.221 -3.923 -5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 25 19.007 -6.226 -5.483 1.00 0.00 H new ATOM 0 HD12 LEU A 25 19.386 -5.694 -3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 25 18.030 -6.810 -4.116 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.037 -5.362 -6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.942 -5.901 -5.365 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.946 -4.196 -5.875 1.00 0.00 H new ATOM 310 N ALA A 26 14.795 -4.755 -0.788 1.00 0.00 N ATOM 311 CA ALA A 26 14.406 -4.418 0.567 1.00 0.00 C ATOM 312 C ALA A 26 14.154 -5.699 1.344 1.00 0.00 C ATOM 313 O ALA A 26 14.442 -5.781 2.537 1.00 0.00 O ATOM 314 CB ALA A 26 13.161 -3.534 0.569 1.00 0.00 C ATOM 0 H ALA A 26 14.028 -4.750 -1.461 1.00 0.00 H new ATOM 0 HA ALA A 26 15.210 -3.857 1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 26 12.887 -3.294 1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 26 13.368 -2.613 0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 26 12.338 -4.063 0.089 1.00 0.00 H new ATOM 320 N ASN A 27 13.575 -6.690 0.636 1.00 0.00 N ATOM 321 CA ASN A 27 13.304 -8.050 1.156 1.00 0.00 C ATOM 322 C ASN A 27 12.553 -8.021 2.492 1.00 0.00 C ATOM 323 O ASN A 27 12.501 -9.014 3.226 1.00 0.00 O ATOM 324 CB ASN A 27 14.609 -8.838 1.266 1.00 0.00 C ATOM 325 CG ASN A 27 14.403 -10.337 1.156 1.00 0.00 C ATOM 326 OD1 ASN A 27 14.240 -11.034 2.151 1.00 0.00 O ATOM 327 ND2 ASN A 27 14.404 -10.842 -0.063 1.00 0.00 N ATOM 0 H ASN A 27 13.276 -6.567 -0.332 1.00 0.00 H new ATOM 0 HA ASN A 27 12.649 -8.555 0.446 1.00 0.00 H new ATOM 0 HB2 ASN A 27 15.292 -8.511 0.482 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.086 -8.611 2.219 1.00 0.00 H new ATOM 0 HD21 ASN A 27 14.266 -11.843 -0.200 1.00 0.00 H new ATOM 0 HD22 ASN A 27 14.543 -10.231 -0.868 1.00 0.00 H new ATOM 334 N THR A 28 11.951 -6.887 2.772 1.00 0.00 N ATOM 335 CA THR A 28 11.240 -6.654 4.000 1.00 0.00 C ATOM 336 C THR A 28 9.990 -7.548 4.098 1.00 0.00 C ATOM 337 O THR A 28 9.542 -8.131 3.108 1.00 0.00 O ATOM 338 CB THR A 28 10.844 -5.163 4.071 1.00 0.00 C ATOM 339 OG1 THR A 28 11.974 -4.370 3.684 1.00 0.00 O ATOM 340 CG2 THR A 28 10.423 -4.761 5.476 1.00 0.00 C ATOM 0 H THR A 28 11.944 -6.088 2.138 1.00 0.00 H new ATOM 0 HA THR A 28 11.887 -6.906 4.840 1.00 0.00 H new ATOM 0 HB THR A 28 9.999 -5.000 3.402 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.736 -3.420 3.723 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.152 -3.705 5.486 1.00 0.00 H new ATOM 0 HG22 THR A 28 9.565 -5.359 5.784 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.250 -4.930 6.166 1.00 0.00 H new ATOM 348 N SER A 29 9.447 -7.664 5.289 1.00 0.00 N ATOM 349 CA SER A 29 8.266 -8.465 5.518 1.00 0.00 C ATOM 350 C SER A 29 7.050 -7.916 4.764 1.00 0.00 C ATOM 351 O SER A 29 6.068 -8.627 4.581 1.00 0.00 O ATOM 352 CB SER A 29 7.984 -8.543 7.004 1.00 0.00 C ATOM 353 OG SER A 29 9.072 -9.137 7.685 1.00 0.00 O ATOM 0 H SER A 29 9.811 -7.206 6.125 1.00 0.00 H new ATOM 0 HA SER A 29 8.455 -9.467 5.133 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.803 -7.543 7.399 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.078 -9.123 7.178 1.00 0.00 H new ATOM 0 HG SER A 29 9.401 -8.523 8.375 1.00 0.00 H new ATOM 359 N THR A 30 7.151 -6.658 4.315 1.00 0.00 N ATOM 360 CA THR A 30 6.085 -5.966 3.579 1.00 0.00 C ATOM 361 C THR A 30 5.568 -6.790 2.391 1.00 0.00 C ATOM 362 O THR A 30 4.369 -6.834 2.124 1.00 0.00 O ATOM 363 CB THR A 30 6.603 -4.613 3.053 1.00 0.00 C ATOM 364 OG1 THR A 30 7.891 -4.806 2.438 1.00 0.00 O ATOM 365 CG2 THR A 30 6.737 -3.605 4.181 1.00 0.00 C ATOM 0 H THR A 30 7.984 -6.086 4.454 1.00 0.00 H new ATOM 0 HA THR A 30 5.261 -5.818 4.277 1.00 0.00 H new ATOM 0 HB THR A 30 5.888 -4.228 2.326 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.846 -4.541 1.495 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.104 -2.659 3.782 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.764 -3.449 4.647 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.439 -3.982 4.925 1.00 0.00 H new ATOM 373 N LEU A 31 6.483 -7.421 1.684 1.00 0.00 N ATOM 374 CA LEU A 31 6.135 -8.240 0.536 1.00 0.00 C ATOM 375 C LEU A 31 6.118 -9.714 0.921 1.00 0.00 C ATOM 376 O LEU A 31 5.540 -10.547 0.223 1.00 0.00 O ATOM 377 CB LEU A 31 7.109 -8.014 -0.640 1.00 0.00 C ATOM 378 CG LEU A 31 8.577 -8.403 -0.408 1.00 0.00 C ATOM 379 CD1 LEU A 31 9.237 -8.783 -1.724 1.00 0.00 C ATOM 380 CD2 LEU A 31 9.346 -7.261 0.246 1.00 0.00 C ATOM 0 H LEU A 31 7.482 -7.383 1.885 1.00 0.00 H new ATOM 0 HA LEU A 31 5.139 -7.942 0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.741 -8.575 -1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.076 -6.959 -0.911 1.00 0.00 H new ATOM 0 HG LEU A 31 8.596 -9.262 0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.277 -9.056 -1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.710 -9.630 -2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.198 -7.936 -2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.382 -7.561 0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.314 -6.384 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.892 -7.020 1.207 1.00 0.00 H new ATOM 392 N ARG A 32 6.776 -10.028 2.026 1.00 0.00 N ATOM 393 CA ARG A 32 6.917 -11.402 2.479 1.00 0.00 C ATOM 394 C ARG A 32 5.612 -11.952 3.084 1.00 0.00 C ATOM 395 O ARG A 32 5.071 -12.939 2.591 1.00 0.00 O ATOM 396 CB ARG A 32 8.056 -11.504 3.492 1.00 0.00 C ATOM 397 CG ARG A 32 8.549 -12.921 3.727 1.00 0.00 C ATOM 398 CD ARG A 32 9.659 -12.957 4.766 1.00 0.00 C ATOM 399 NE ARG A 32 10.800 -12.096 4.405 1.00 0.00 N ATOM 400 CZ ARG A 32 12.033 -12.248 4.900 1.00 0.00 C ATOM 401 NH1 ARG A 32 12.305 -13.262 5.712 1.00 0.00 N ATOM 402 NH2 ARG A 32 12.993 -11.396 4.572 1.00 0.00 N ATOM 0 H ARG A 32 7.225 -9.341 2.631 1.00 0.00 H new ATOM 0 HA ARG A 32 7.150 -12.013 1.607 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.890 -10.892 3.148 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.723 -11.084 4.441 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.719 -13.546 4.057 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.912 -13.342 2.789 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.260 -12.641 5.730 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.006 -13.983 4.886 1.00 0.00 H new ATOM 0 HE ARG A 32 10.640 -11.340 3.739 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.573 -13.928 5.960 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.246 -13.376 6.088 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.793 -10.621 3.940 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.932 -11.515 4.952 1.00 0.00 H new ATOM 416 N THR A 33 5.111 -11.309 4.143 1.00 0.00 N ATOM 417 CA THR A 33 3.895 -11.793 4.814 1.00 0.00 C ATOM 418 C THR A 33 3.255 -10.722 5.707 1.00 0.00 C ATOM 419 O THR A 33 2.049 -10.742 5.937 1.00 0.00 O ATOM 420 CB THR A 33 4.164 -13.068 5.652 1.00 0.00 C ATOM 421 OG1 THR A 33 2.922 -13.597 6.158 1.00 0.00 O ATOM 422 CG2 THR A 33 5.106 -12.776 6.818 1.00 0.00 C ATOM 0 H THR A 33 5.518 -10.467 4.550 1.00 0.00 H new ATOM 0 HA THR A 33 3.196 -12.038 4.015 1.00 0.00 H new ATOM 0 HB THR A 33 4.639 -13.802 5.001 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.101 -14.404 6.685 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.275 -13.690 7.387 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.057 -12.406 6.434 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.659 -12.023 7.467 1.00 0.00 H new ATOM 430 N VAL A 34 4.056 -9.818 6.224 1.00 0.00 N ATOM 431 CA VAL A 34 3.533 -8.732 7.040 1.00 0.00 C ATOM 432 C VAL A 34 2.968 -7.656 6.134 1.00 0.00 C ATOM 433 O VAL A 34 3.575 -7.323 5.125 1.00 0.00 O ATOM 434 CB VAL A 34 4.626 -8.124 7.957 1.00 0.00 C ATOM 435 CG1 VAL A 34 4.102 -6.904 8.709 1.00 0.00 C ATOM 436 CG2 VAL A 34 5.142 -9.171 8.936 1.00 0.00 C ATOM 0 H VAL A 34 5.068 -9.808 6.098 1.00 0.00 H new ATOM 0 HA VAL A 34 2.750 -9.135 7.682 1.00 0.00 H new ATOM 0 HB VAL A 34 5.451 -7.798 7.324 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.892 -6.501 9.343 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.787 -6.144 7.994 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.253 -7.195 9.328 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.908 -8.728 9.572 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.319 -9.528 9.555 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.569 -10.007 8.383 1.00 0.00 H new ATOM 446 N LEU A 35 1.795 -7.138 6.483 1.00 0.00 N ATOM 447 CA LEU A 35 1.137 -6.108 5.681 1.00 0.00 C ATOM 448 C LEU A 35 2.096 -4.966 5.375 1.00 0.00 C ATOM 449 O LEU A 35 2.870 -4.541 6.238 1.00 0.00 O ATOM 450 CB LEU A 35 -0.121 -5.564 6.383 1.00 0.00 C ATOM 451 CG LEU A 35 0.108 -4.718 7.652 1.00 0.00 C ATOM 452 CD1 LEU A 35 -1.129 -3.902 7.973 1.00 0.00 C ATOM 453 CD2 LEU A 35 0.475 -5.600 8.838 1.00 0.00 C ATOM 0 H LEU A 35 1.278 -7.414 7.318 1.00 0.00 H new ATOM 0 HA LEU A 35 0.830 -6.573 4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.677 -4.959 5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.756 -6.409 6.647 1.00 0.00 H new ATOM 0 HG LEU A 35 0.940 -4.040 7.459 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.952 -3.310 8.871 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.353 -3.237 7.139 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.973 -4.571 8.140 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.631 -4.978 9.719 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.333 -6.306 9.030 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.390 -6.148 8.614 1.00 0.00 H new ATOM 465 N ARG A 36 2.051 -4.483 4.144 1.00 0.00 N ATOM 466 CA ARG A 36 2.942 -3.422 3.727 1.00 0.00 C ATOM 467 C ARG A 36 2.666 -2.149 4.513 1.00 0.00 C ATOM 468 O ARG A 36 1.538 -1.912 4.966 1.00 0.00 O ATOM 469 CB ARG A 36 2.831 -3.153 2.220 1.00 0.00 C ATOM 470 CG ARG A 36 1.530 -2.495 1.796 1.00 0.00 C ATOM 471 CD ARG A 36 1.607 -1.997 0.363 1.00 0.00 C ATOM 472 NE ARG A 36 0.489 -1.109 0.032 1.00 0.00 N ATOM 473 CZ ARG A 36 0.478 0.208 0.285 1.00 0.00 C ATOM 474 NH1 ARG A 36 1.524 0.782 0.877 1.00 0.00 N ATOM 475 NH2 ARG A 36 -0.575 0.950 -0.056 1.00 0.00 N ATOM 0 H ARG A 36 1.409 -4.809 3.422 1.00 0.00 H new ATOM 0 HA ARG A 36 3.961 -3.749 3.934 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.662 -2.518 1.914 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.938 -4.097 1.686 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.711 -3.208 1.892 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.307 -1.661 2.462 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.548 -1.468 0.213 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.608 -2.848 -0.318 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.330 -1.517 -0.418 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.334 0.220 1.138 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.515 1.784 1.069 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.378 0.517 -0.512 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.578 1.951 0.139 1.00 0.00 H new ATOM 489 N THR A 37 3.685 -1.334 4.661 1.00 0.00 N ATOM 490 CA THR A 37 3.578 -0.116 5.413 1.00 0.00 C ATOM 491 C THR A 37 2.661 0.869 4.701 1.00 0.00 C ATOM 492 O THR A 37 2.978 1.366 3.615 1.00 0.00 O ATOM 493 CB THR A 37 4.960 0.520 5.612 1.00 0.00 C ATOM 494 OG1 THR A 37 5.945 -0.520 5.715 1.00 0.00 O ATOM 495 CG2 THR A 37 4.980 1.349 6.886 1.00 0.00 C ATOM 0 H THR A 37 4.609 -1.501 4.262 1.00 0.00 H new ATOM 0 HA THR A 37 3.156 -0.357 6.389 1.00 0.00 H new ATOM 0 HB THR A 37 5.180 1.166 4.762 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.831 -0.120 5.841 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.966 1.794 7.015 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.231 2.138 6.818 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.756 0.709 7.740 1.00 0.00 H new ATOM 503 N GLY A 38 1.515 1.116 5.300 1.00 0.00 N ATOM 504 CA GLY A 38 0.572 2.035 4.733 1.00 0.00 C ATOM 505 C GLY A 38 -0.332 1.375 3.730 1.00 0.00 C ATOM 506 O GLY A 38 -0.641 1.957 2.687 1.00 0.00 O ATOM 0 H GLY A 38 1.221 0.690 6.179 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.030 2.473 5.529 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.109 2.853 4.253 1.00 0.00 H new ATOM 510 N VAL A 39 -0.727 0.142 4.029 1.00 0.00 N ATOM 511 CA VAL A 39 -1.623 -0.614 3.170 1.00 0.00 C ATOM 512 C VAL A 39 -2.942 0.149 2.935 1.00 0.00 C ATOM 513 O VAL A 39 -3.406 0.898 3.795 1.00 0.00 O ATOM 514 CB VAL A 39 -1.902 -2.026 3.750 1.00 0.00 C ATOM 515 CG1 VAL A 39 -2.766 -1.959 5.004 1.00 0.00 C ATOM 516 CG2 VAL A 39 -2.523 -2.931 2.700 1.00 0.00 C ATOM 0 H VAL A 39 -0.435 -0.357 4.870 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.127 -0.739 2.207 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.944 -2.457 4.042 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.940 -2.967 5.381 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.256 -1.370 5.766 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.721 -1.492 4.763 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.709 -3.915 3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.465 -2.500 2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.842 -3.028 1.855 1.00 0.00 H new ATOM 526 N SER A 40 -3.521 -0.047 1.763 1.00 0.00 N ATOM 527 CA SER A 40 -4.719 0.666 1.362 1.00 0.00 C ATOM 528 C SER A 40 -5.995 -0.051 1.816 1.00 0.00 C ATOM 529 O SER A 40 -5.997 -1.270 2.037 1.00 0.00 O ATOM 530 CB SER A 40 -4.717 0.823 -0.152 1.00 0.00 C ATOM 531 OG SER A 40 -3.470 1.340 -0.599 1.00 0.00 O ATOM 0 H SER A 40 -3.174 -0.704 1.064 1.00 0.00 H new ATOM 0 HA SER A 40 -4.713 1.644 1.844 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.907 -0.141 -0.623 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.524 1.491 -0.455 1.00 0.00 H new ATOM 0 HG SER A 40 -3.627 2.101 -1.196 1.00 0.00 H new ATOM 537 N GLN A 41 -7.086 0.719 1.920 1.00 0.00 N ATOM 538 CA GLN A 41 -8.389 0.199 2.353 1.00 0.00 C ATOM 539 C GLN A 41 -8.945 -0.830 1.392 1.00 0.00 C ATOM 540 O GLN A 41 -9.820 -1.589 1.756 1.00 0.00 O ATOM 541 CB GLN A 41 -9.411 1.326 2.495 1.00 0.00 C ATOM 542 CG GLN A 41 -9.610 2.138 1.218 1.00 0.00 C ATOM 543 CD GLN A 41 -10.589 3.279 1.389 1.00 0.00 C ATOM 544 OE1 GLN A 41 -10.203 4.392 1.721 1.00 0.00 O ATOM 545 NE2 GLN A 41 -11.858 3.010 1.160 1.00 0.00 N ATOM 0 H GLN A 41 -7.090 1.717 1.707 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.217 -0.276 3.319 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.368 0.901 2.798 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.092 1.995 3.294 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.649 2.537 0.894 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.964 1.478 0.426 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.138 2.069 0.885 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.560 3.743 1.258 1.00 0.00 H new ATOM 554 N GLN A 42 -8.444 -0.838 0.162 1.00 0.00 N ATOM 555 CA GLN A 42 -8.934 -1.763 -0.856 1.00 0.00 C ATOM 556 C GLN A 42 -8.935 -3.198 -0.350 1.00 0.00 C ATOM 557 O GLN A 42 -9.910 -3.913 -0.501 1.00 0.00 O ATOM 558 CB GLN A 42 -8.101 -1.654 -2.140 1.00 0.00 C ATOM 559 CG GLN A 42 -8.187 -0.294 -2.811 1.00 0.00 C ATOM 560 CD GLN A 42 -9.606 0.080 -3.206 1.00 0.00 C ATOM 561 OE1 GLN A 42 -10.432 -0.783 -3.498 1.00 0.00 O ATOM 562 NE2 GLN A 42 -9.894 1.368 -3.219 1.00 0.00 N ATOM 0 H GLN A 42 -7.700 -0.216 -0.155 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.963 -1.483 -1.082 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.058 -1.868 -1.905 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.433 -2.418 -2.843 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.791 0.465 -2.136 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.555 -0.292 -3.699 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.180 2.053 -2.970 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.830 1.679 -3.478 1.00 0.00 H new ATOM 571 N ILE A 43 -7.849 -3.601 0.274 1.00 0.00 N ATOM 572 CA ILE A 43 -7.724 -4.965 0.765 1.00 0.00 C ATOM 573 C ILE A 43 -8.372 -5.151 2.147 1.00 0.00 C ATOM 574 O ILE A 43 -8.896 -6.218 2.458 1.00 0.00 O ATOM 575 CB ILE A 43 -6.233 -5.421 0.797 1.00 0.00 C ATOM 576 CG1 ILE A 43 -5.386 -4.538 1.724 1.00 0.00 C ATOM 577 CG2 ILE A 43 -5.652 -5.410 -0.604 1.00 0.00 C ATOM 578 CD1 ILE A 43 -5.325 -5.021 3.163 1.00 0.00 C ATOM 0 H ILE A 43 -7.039 -3.008 0.455 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.266 -5.598 0.062 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.208 -6.437 1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.372 -4.484 1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.789 -3.525 1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.611 -5.730 -0.569 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.220 -6.091 -1.239 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.708 -4.401 -1.013 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.707 -4.341 3.749 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.331 -5.048 3.581 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.893 -6.021 3.193 1.00 0.00 H new ATOM 590 N ALA A 44 -8.331 -4.107 2.962 1.00 0.00 N ATOM 591 CA ALA A 44 -8.825 -4.186 4.331 1.00 0.00 C ATOM 592 C ALA A 44 -10.330 -3.978 4.435 1.00 0.00 C ATOM 593 O ALA A 44 -11.006 -4.736 5.118 1.00 0.00 O ATOM 594 CB ALA A 44 -8.080 -3.210 5.215 1.00 0.00 C ATOM 0 H ALA A 44 -7.960 -3.194 2.700 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.634 -5.201 4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.459 -3.280 6.234 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.017 -3.450 5.206 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.227 -2.196 4.842 1.00 0.00 H new ATOM 600 N SER A 45 -10.825 -2.912 3.789 1.00 0.00 N ATOM 601 CA SER A 45 -12.262 -2.522 3.747 1.00 0.00 C ATOM 602 C SER A 45 -12.803 -2.064 5.112 1.00 0.00 C ATOM 603 O SER A 45 -13.832 -1.393 5.193 1.00 0.00 O ATOM 604 CB SER A 45 -13.161 -3.621 3.121 1.00 0.00 C ATOM 605 OG SER A 45 -13.210 -4.802 3.907 1.00 0.00 O ATOM 0 H SER A 45 -10.229 -2.273 3.263 1.00 0.00 H new ATOM 0 HA SER A 45 -12.305 -1.656 3.087 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.171 -3.231 2.996 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.788 -3.867 2.126 1.00 0.00 H new ATOM 0 HG SER A 45 -12.605 -4.711 4.672 1.00 0.00 H new ATOM 611 N SER A 46 -12.102 -2.427 6.161 1.00 0.00 N ATOM 612 CA SER A 46 -12.504 -2.144 7.518 1.00 0.00 C ATOM 613 C SER A 46 -12.446 -0.643 7.870 1.00 0.00 C ATOM 614 O SER A 46 -13.478 0.026 7.938 1.00 0.00 O ATOM 615 CB SER A 46 -11.628 -2.958 8.461 1.00 0.00 C ATOM 616 OG SER A 46 -10.245 -2.786 8.147 1.00 0.00 O ATOM 0 H SER A 46 -11.221 -2.936 6.093 1.00 0.00 H new ATOM 0 HA SER A 46 -13.551 -2.429 7.627 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.812 -2.651 9.491 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.893 -4.013 8.390 1.00 0.00 H new ATOM 0 HG SER A 46 -9.701 -3.316 8.766 1.00 0.00 H new ATOM 622 N VAL A 47 -11.244 -0.126 8.083 1.00 0.00 N ATOM 623 CA VAL A 47 -11.073 1.267 8.513 1.00 0.00 C ATOM 624 C VAL A 47 -9.724 1.842 8.066 1.00 0.00 C ATOM 625 O VAL A 47 -9.616 3.029 7.752 1.00 0.00 O ATOM 626 CB VAL A 47 -11.209 1.388 10.063 1.00 0.00 C ATOM 627 CG1 VAL A 47 -10.208 0.486 10.781 1.00 0.00 C ATOM 628 CG2 VAL A 47 -11.050 2.835 10.516 1.00 0.00 C ATOM 0 H VAL A 47 -10.372 -0.643 7.967 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.863 1.847 8.036 1.00 0.00 H new ATOM 0 HB VAL A 47 -12.212 1.055 10.330 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.329 0.594 11.859 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.385 -0.552 10.498 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.194 0.771 10.499 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -11.149 2.890 11.600 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.066 3.202 10.223 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.820 3.449 10.050 1.00 0.00 H new ATOM 638 N VAL A 48 -8.706 0.998 8.039 1.00 0.00 N ATOM 639 CA VAL A 48 -7.368 1.426 7.661 1.00 0.00 C ATOM 640 C VAL A 48 -7.279 1.801 6.168 1.00 0.00 C ATOM 641 O VAL A 48 -7.177 0.940 5.295 1.00 0.00 O ATOM 642 CB VAL A 48 -6.294 0.359 8.039 1.00 0.00 C ATOM 643 CG1 VAL A 48 -6.682 -1.022 7.544 1.00 0.00 C ATOM 644 CG2 VAL A 48 -4.920 0.750 7.513 1.00 0.00 C ATOM 0 H VAL A 48 -8.781 0.009 8.275 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.155 2.329 8.234 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.245 0.323 9.127 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.911 -1.739 7.825 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.631 -1.316 7.992 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.783 -1.005 6.459 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.193 -0.013 7.792 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.957 0.836 6.427 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.625 1.707 7.943 1.00 0.00 H new ATOM 654 N GLN A 49 -7.380 3.097 5.895 1.00 0.00 N ATOM 655 CA GLN A 49 -7.260 3.617 4.536 1.00 0.00 C ATOM 656 C GLN A 49 -5.803 3.786 4.164 1.00 0.00 C ATOM 657 O GLN A 49 -5.356 3.337 3.112 1.00 0.00 O ATOM 658 CB GLN A 49 -7.983 4.958 4.410 1.00 0.00 C ATOM 659 CG GLN A 49 -9.451 4.912 4.797 1.00 0.00 C ATOM 660 CD GLN A 49 -10.127 6.259 4.652 1.00 0.00 C ATOM 661 OE1 GLN A 49 -9.745 7.076 3.818 1.00 0.00 O ATOM 662 NE2 GLN A 49 -11.139 6.497 5.457 1.00 0.00 N ATOM 0 H GLN A 49 -7.546 3.813 6.603 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.721 2.902 3.855 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.476 5.692 5.037 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.901 5.307 3.381 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -9.966 4.181 4.174 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.542 4.572 5.829 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.426 5.793 6.137 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.637 7.386 5.402 1.00 0.00 H new ATOM 671 N ARG A 50 -5.083 4.459 5.032 1.00 0.00 N ATOM 672 CA ARG A 50 -3.666 4.700 4.854 1.00 0.00 C ATOM 673 C ARG A 50 -2.917 4.331 6.133 1.00 0.00 C ATOM 674 O ARG A 50 -1.690 4.336 6.167 1.00 0.00 O ATOM 675 CB ARG A 50 -3.436 6.197 4.525 1.00 0.00 C ATOM 676 CG ARG A 50 -1.972 6.620 4.513 1.00 0.00 C ATOM 677 CD ARG A 50 -1.805 8.131 4.439 1.00 0.00 C ATOM 678 NE ARG A 50 -0.421 8.534 4.728 1.00 0.00 N ATOM 679 CZ ARG A 50 0.150 9.680 4.330 1.00 0.00 C ATOM 680 NH1 ARG A 50 -0.520 10.540 3.561 1.00 0.00 N ATOM 681 NH2 ARG A 50 1.395 9.960 4.699 1.00 0.00 N ATOM 0 H ARG A 50 -5.466 4.859 5.889 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.293 4.088 4.033 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.872 6.414 3.550 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.971 6.804 5.256 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.481 6.247 5.412 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.471 6.160 3.662 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.087 8.481 3.446 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.480 8.608 5.149 1.00 0.00 H new ATOM 0 HE ARG A 50 0.151 7.890 5.275 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.475 10.328 3.271 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.078 11.409 3.263 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.913 9.304 5.283 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.832 10.831 4.398 1.00 0.00 H new ATOM 695 N ALA A 51 -3.682 3.987 7.177 1.00 0.00 N ATOM 696 CA ALA A 51 -3.147 3.748 8.528 1.00 0.00 C ATOM 697 C ALA A 51 -2.709 5.071 9.146 1.00 0.00 C ATOM 698 O ALA A 51 -3.171 5.450 10.213 1.00 0.00 O ATOM 699 CB ALA A 51 -2.002 2.728 8.527 1.00 0.00 C ATOM 0 H ALA A 51 -4.693 3.866 7.111 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.942 3.315 9.136 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.641 2.585 9.545 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.362 1.777 8.133 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.188 3.095 7.902 1.00 0.00 H new ATOM 705 N ALA A 52 -1.832 5.776 8.448 1.00 0.00 N ATOM 706 CA ALA A 52 -1.385 7.080 8.876 1.00 0.00 C ATOM 707 C ALA A 52 -2.541 8.073 8.809 1.00 0.00 C ATOM 708 O ALA A 52 -3.286 8.115 7.814 1.00 0.00 O ATOM 709 CB ALA A 52 -0.226 7.541 8.025 1.00 0.00 C ATOM 0 H ALA A 52 -1.415 5.457 7.573 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.042 7.020 9.909 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.101 8.526 8.359 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.598 6.834 8.119 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.540 7.597 6.983 1.00 0.00 H new ATOM 715 N GLN A 53 -2.657 8.879 9.848 1.00 0.00 N ATOM 716 CA GLN A 53 -3.775 9.808 10.044 1.00 0.00 C ATOM 717 C GLN A 53 -4.085 10.713 8.852 1.00 0.00 C ATOM 718 O GLN A 53 -5.229 11.084 8.671 1.00 0.00 O ATOM 719 CB GLN A 53 -3.576 10.657 11.305 1.00 0.00 C ATOM 720 CG GLN A 53 -2.296 11.489 11.341 1.00 0.00 C ATOM 721 CD GLN A 53 -1.057 10.662 11.618 1.00 0.00 C ATOM 722 OE1 GLN A 53 -0.379 10.203 10.700 1.00 0.00 O ATOM 723 NE2 GLN A 53 -0.775 10.445 12.882 1.00 0.00 N ATOM 0 H GLN A 53 -1.968 8.913 10.599 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.645 9.161 10.159 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.428 11.329 11.408 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.584 9.996 12.172 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.177 12.003 10.387 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.391 12.258 12.108 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.364 10.845 13.612 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.033 9.876 13.134 1.00 0.00 H new ATOM 732 N SER A 54 -3.083 11.056 8.049 1.00 0.00 N ATOM 733 CA SER A 54 -3.290 11.959 6.910 1.00 0.00 C ATOM 734 C SER A 54 -4.531 11.568 6.077 1.00 0.00 C ATOM 735 O SER A 54 -5.535 12.284 6.069 1.00 0.00 O ATOM 736 CB SER A 54 -2.036 12.004 6.030 1.00 0.00 C ATOM 737 OG SER A 54 -2.235 12.801 4.875 1.00 0.00 O ATOM 0 H SER A 54 -2.124 10.728 8.160 1.00 0.00 H new ATOM 0 HA SER A 54 -3.475 12.955 7.311 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.201 12.401 6.607 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.764 10.992 5.731 1.00 0.00 H new ATOM 0 HG SER A 54 -1.428 13.328 4.698 1.00 0.00 H new ATOM 743 N LEU A 55 -4.456 10.448 5.384 1.00 0.00 N ATOM 744 CA LEU A 55 -5.575 9.986 4.566 1.00 0.00 C ATOM 745 C LEU A 55 -6.543 9.110 5.375 1.00 0.00 C ATOM 746 O LEU A 55 -7.720 9.002 5.045 1.00 0.00 O ATOM 747 CB LEU A 55 -5.061 9.223 3.335 1.00 0.00 C ATOM 748 CG LEU A 55 -6.131 8.738 2.344 1.00 0.00 C ATOM 749 CD1 LEU A 55 -6.881 9.919 1.738 1.00 0.00 C ATOM 750 CD2 LEU A 55 -5.501 7.886 1.251 1.00 0.00 C ATOM 0 H LEU A 55 -3.638 9.839 5.367 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.126 10.865 4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.364 9.867 2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.495 8.357 3.680 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.847 8.123 2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.633 9.553 1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.368 10.487 2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.179 10.563 1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.274 7.552 0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.761 8.476 0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.016 7.019 1.700 1.00 0.00 H new ATOM 762 N ALA A 56 -6.039 8.501 6.440 1.00 0.00 N ATOM 763 CA ALA A 56 -6.829 7.564 7.233 1.00 0.00 C ATOM 764 C ALA A 56 -7.788 8.245 8.197 1.00 0.00 C ATOM 765 O ALA A 56 -8.701 7.602 8.693 1.00 0.00 O ATOM 766 CB ALA A 56 -5.937 6.592 7.980 1.00 0.00 C ATOM 0 H ALA A 56 -5.086 8.638 6.776 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.441 7.014 6.518 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.553 5.906 8.562 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.338 6.026 7.267 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.277 7.144 8.649 1.00 0.00 H new ATOM 772 N SER A 57 -7.544 9.521 8.498 1.00 0.00 N ATOM 773 CA SER A 57 -8.374 10.281 9.443 1.00 0.00 C ATOM 774 C SER A 57 -9.871 10.123 9.137 1.00 0.00 C ATOM 775 O SER A 57 -10.411 10.779 8.243 1.00 0.00 O ATOM 776 CB SER A 57 -7.982 11.764 9.418 1.00 0.00 C ATOM 777 OG SER A 57 -8.498 12.454 10.539 1.00 0.00 O ATOM 0 H SER A 57 -6.773 10.056 8.099 1.00 0.00 H new ATOM 0 HA SER A 57 -8.195 9.878 10.440 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.896 11.854 9.402 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.354 12.225 8.503 1.00 0.00 H new ATOM 0 HG SER A 57 -8.230 13.396 10.495 1.00 0.00 H new ATOM 783 N THR A 58 -10.517 9.229 9.873 1.00 0.00 N ATOM 784 CA THR A 58 -11.929 8.957 9.701 1.00 0.00 C ATOM 785 C THR A 58 -12.601 8.713 11.061 1.00 0.00 C ATOM 786 O THR A 58 -13.732 9.132 11.287 1.00 0.00 O ATOM 787 CB THR A 58 -12.152 7.728 8.758 1.00 0.00 C ATOM 788 OG1 THR A 58 -13.556 7.507 8.532 1.00 0.00 O ATOM 789 CG2 THR A 58 -11.528 6.462 9.342 1.00 0.00 C ATOM 0 H THR A 58 -10.073 8.674 10.605 1.00 0.00 H new ATOM 0 HA THR A 58 -12.386 9.831 9.237 1.00 0.00 H new ATOM 0 HB THR A 58 -11.665 7.954 7.809 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.674 6.736 7.939 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.700 5.626 8.664 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.456 6.611 9.471 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.983 6.245 10.309 1.00 0.00 H new ATOM 797 N LEU A 59 -11.889 8.040 11.960 1.00 0.00 N ATOM 798 CA LEU A 59 -12.410 7.731 13.284 1.00 0.00 C ATOM 799 C LEU A 59 -11.514 8.302 14.376 1.00 0.00 C ATOM 800 O LEU A 59 -11.597 7.896 15.537 1.00 0.00 O ATOM 801 CB LEU A 59 -12.548 6.213 13.452 1.00 0.00 C ATOM 802 CG LEU A 59 -13.691 5.559 12.672 1.00 0.00 C ATOM 803 CD1 LEU A 59 -13.667 4.054 12.857 1.00 0.00 C ATOM 804 CD2 LEU A 59 -15.030 6.125 13.114 1.00 0.00 C ATOM 0 H LEU A 59 -10.943 7.697 11.792 1.00 0.00 H new ATOM 0 HA LEU A 59 -13.392 8.193 13.379 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.611 5.746 13.148 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -12.684 5.994 14.511 1.00 0.00 H new ATOM 0 HG LEU A 59 -13.555 5.780 11.613 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -14.486 3.605 12.296 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.719 3.658 12.494 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -13.779 3.816 13.915 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -15.831 5.648 12.549 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.173 5.934 14.178 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.048 7.200 12.933 1.00 0.00 H new ATOM 816 N GLY A 60 -10.685 9.260 14.013 1.00 0.00 N ATOM 817 CA GLY A 60 -9.760 9.823 14.971 1.00 0.00 C ATOM 818 C GLY A 60 -8.491 9.019 15.048 1.00 0.00 C ATOM 819 O GLY A 60 -8.196 8.396 16.071 1.00 0.00 O ATOM 0 H GLY A 60 -10.634 9.659 13.076 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.525 10.850 14.692 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -10.229 9.859 15.954 1.00 0.00 H new ATOM 823 N VAL A 61 -7.725 9.046 13.979 1.00 0.00 N ATOM 824 CA VAL A 61 -6.529 8.238 13.881 1.00 0.00 C ATOM 825 C VAL A 61 -5.330 8.964 14.475 1.00 0.00 C ATOM 826 O VAL A 61 -4.865 9.966 13.939 1.00 0.00 O ATOM 827 CB VAL A 61 -6.224 7.873 12.407 1.00 0.00 C ATOM 828 CG1 VAL A 61 -5.016 6.959 12.316 1.00 0.00 C ATOM 829 CG2 VAL A 61 -7.431 7.221 11.756 1.00 0.00 C ATOM 0 H VAL A 61 -7.911 9.624 13.159 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.709 7.323 14.446 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.997 8.795 11.871 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.821 6.716 11.271 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.147 7.462 12.740 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.211 6.042 12.871 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.196 6.972 10.721 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.690 6.311 12.298 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.275 7.911 11.781 1.00 0.00 H new ATOM 839 N ASP A 62 -4.861 8.464 15.607 1.00 0.00 N ATOM 840 CA ASP A 62 -3.690 9.031 16.281 1.00 0.00 C ATOM 841 C ASP A 62 -3.082 8.006 17.210 1.00 0.00 C ATOM 842 O ASP A 62 -2.332 8.335 18.130 1.00 0.00 O ATOM 843 CB ASP A 62 -4.078 10.288 17.073 1.00 0.00 C ATOM 844 CG ASP A 62 -4.866 9.967 18.340 1.00 0.00 C ATOM 845 OD1 ASP A 62 -5.648 8.990 18.334 1.00 0.00 O ATOM 846 OD2 ASP A 62 -4.703 10.690 19.350 1.00 0.00 O ATOM 0 H ASP A 62 -5.272 7.662 16.085 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.957 9.309 15.524 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.175 10.836 17.341 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.672 10.944 16.437 1.00 0.00 H new ATOM 851 N GLY A 63 -3.385 6.772 16.949 1.00 0.00 N ATOM 852 CA GLY A 63 -2.909 5.704 17.788 1.00 0.00 C ATOM 853 C GLY A 63 -4.042 4.869 18.329 1.00 0.00 C ATOM 854 O GLY A 63 -3.928 3.653 18.407 1.00 0.00 O ATOM 0 H GLY A 63 -3.961 6.474 16.161 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.230 5.070 17.218 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.337 6.121 18.617 1.00 0.00 H new ATOM 858 N ASN A 64 -5.158 5.524 18.670 1.00 0.00 N ATOM 859 CA ASN A 64 -6.312 4.842 19.238 1.00 0.00 C ATOM 860 C ASN A 64 -6.855 3.787 18.270 1.00 0.00 C ATOM 861 O ASN A 64 -6.632 2.597 18.460 1.00 0.00 O ATOM 862 CB ASN A 64 -7.392 5.864 19.612 1.00 0.00 C ATOM 863 CG ASN A 64 -8.627 5.232 20.212 1.00 0.00 C ATOM 864 OD1 ASN A 64 -8.712 5.022 21.421 1.00 0.00 O ATOM 865 ND2 ASN A 64 -9.596 4.946 19.375 1.00 0.00 N ATOM 0 H ASN A 64 -5.280 6.531 18.559 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.002 4.322 20.145 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -6.976 6.579 20.322 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.675 6.426 18.722 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.462 4.533 19.720 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.483 5.137 18.379 1.00 0.00 H new ATOM 872 N ASN A 65 -7.536 4.225 17.210 1.00 0.00 N ATOM 873 CA ASN A 65 -8.062 3.283 16.219 1.00 0.00 C ATOM 874 C ASN A 65 -6.991 2.958 15.181 1.00 0.00 C ATOM 875 O ASN A 65 -7.263 2.334 14.155 1.00 0.00 O ATOM 876 CB ASN A 65 -9.348 3.811 15.552 1.00 0.00 C ATOM 877 CG ASN A 65 -9.100 4.871 14.496 1.00 0.00 C ATOM 878 OD1 ASN A 65 -8.977 6.041 14.799 1.00 0.00 O ATOM 879 ND2 ASN A 65 -9.052 4.458 13.244 1.00 0.00 N ATOM 0 H ASN A 65 -7.734 5.207 17.017 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.332 2.363 16.738 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.879 2.975 15.097 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.002 4.223 16.321 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.907 5.130 12.490 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.160 3.467 13.030 1.00 0.00 H new ATOM 886 N LEU A 66 -5.778 3.398 15.464 1.00 0.00 N ATOM 887 CA LEU A 66 -4.632 3.121 14.622 1.00 0.00 C ATOM 888 C LEU A 66 -3.987 1.793 15.036 1.00 0.00 C ATOM 889 O LEU A 66 -3.848 0.880 14.225 1.00 0.00 O ATOM 890 CB LEU A 66 -3.628 4.282 14.707 1.00 0.00 C ATOM 891 CG LEU A 66 -2.261 4.066 14.047 1.00 0.00 C ATOM 892 CD1 LEU A 66 -2.411 3.600 12.607 1.00 0.00 C ATOM 893 CD2 LEU A 66 -1.434 5.344 14.107 1.00 0.00 C ATOM 0 H LEU A 66 -5.561 3.959 16.288 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.955 3.029 13.585 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.087 5.162 14.256 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.464 4.512 15.760 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.742 3.284 14.601 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.424 3.456 12.167 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.960 2.658 12.585 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.957 4.351 12.036 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.467 5.174 13.634 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.959 6.142 13.582 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.284 5.632 15.148 1.00 0.00 H new ATOM 905 N ALA A 67 -3.603 1.695 16.308 1.00 0.00 N ATOM 906 CA ALA A 67 -3.005 0.473 16.834 1.00 0.00 C ATOM 907 C ALA A 67 -4.089 -0.545 17.133 1.00 0.00 C ATOM 908 O ALA A 67 -3.905 -1.752 16.960 1.00 0.00 O ATOM 909 CB ALA A 67 -2.200 0.771 18.091 1.00 0.00 C ATOM 0 H ALA A 67 -3.696 2.447 16.991 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.330 0.062 16.083 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.761 -0.152 18.469 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.406 1.480 17.855 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.855 1.199 18.850 1.00 0.00 H new ATOM 915 N ARG A 68 -5.221 -0.050 17.584 1.00 0.00 N ATOM 916 CA ARG A 68 -6.361 -0.883 17.877 1.00 0.00 C ATOM 917 C ARG A 68 -7.384 -0.712 16.780 1.00 0.00 C ATOM 918 O ARG A 68 -7.303 0.236 16.025 1.00 0.00 O ATOM 919 CB ARG A 68 -6.949 -0.507 19.231 1.00 0.00 C ATOM 920 CG ARG A 68 -5.948 -0.634 20.363 1.00 0.00 C ATOM 921 CD ARG A 68 -6.510 -0.134 21.672 1.00 0.00 C ATOM 922 NE ARG A 68 -5.530 -0.236 22.748 1.00 0.00 N ATOM 923 CZ ARG A 68 -5.758 0.127 24.005 1.00 0.00 C ATOM 924 NH1 ARG A 68 -6.930 0.642 24.347 1.00 0.00 N ATOM 925 NH2 ARG A 68 -4.811 -0.015 24.918 1.00 0.00 N ATOM 0 H ARG A 68 -5.375 0.943 17.757 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.057 -1.929 17.923 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.316 0.519 19.190 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.808 -1.145 19.439 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.652 -1.678 20.470 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.048 -0.071 20.116 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.824 0.904 21.562 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.398 -0.710 21.932 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.609 -0.611 22.520 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.660 0.760 23.644 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.103 0.920 25.313 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.905 -0.404 24.657 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.987 0.264 25.883 1.00 0.00 H new ATOM 939 N PHE A 69 -8.329 -1.638 16.687 1.00 0.00 N ATOM 940 CA PHE A 69 -9.367 -1.612 15.639 1.00 0.00 C ATOM 941 C PHE A 69 -8.789 -1.891 14.244 1.00 0.00 C ATOM 942 O PHE A 69 -9.149 -2.873 13.619 1.00 0.00 O ATOM 943 CB PHE A 69 -10.166 -0.296 15.646 1.00 0.00 C ATOM 944 CG PHE A 69 -11.036 -0.122 16.859 1.00 0.00 C ATOM 945 CD1 PHE A 69 -12.070 -1.009 17.116 1.00 0.00 C ATOM 946 CD2 PHE A 69 -10.823 0.925 17.740 1.00 0.00 C ATOM 947 CE1 PHE A 69 -12.873 -0.855 18.228 1.00 0.00 C ATOM 948 CE2 PHE A 69 -11.625 1.084 18.854 1.00 0.00 C ATOM 949 CZ PHE A 69 -12.651 0.193 19.097 1.00 0.00 C ATOM 0 H PHE A 69 -8.407 -2.428 17.327 1.00 0.00 H new ATOM 0 HA PHE A 69 -10.059 -2.420 15.878 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.470 0.541 15.586 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.790 -0.256 14.754 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -12.249 -1.830 16.438 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.022 1.625 17.554 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.674 -1.554 18.417 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -11.449 1.905 19.534 1.00 0.00 H new ATOM 0 HZ PHE A 69 -13.279 0.316 19.967 1.00 0.00 H new ATOM 959 N ALA A 70 -7.883 -1.036 13.773 1.00 0.00 N ATOM 960 CA ALA A 70 -7.275 -1.204 12.454 1.00 0.00 C ATOM 961 C ALA A 70 -6.522 -2.527 12.369 1.00 0.00 C ATOM 962 O ALA A 70 -6.871 -3.404 11.573 1.00 0.00 O ATOM 963 CB ALA A 70 -6.344 -0.041 12.152 1.00 0.00 C ATOM 0 H ALA A 70 -7.553 -0.218 14.286 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.070 -1.218 11.708 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.898 -0.178 11.167 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.909 0.891 12.168 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.557 -0.000 12.905 1.00 0.00 H new ATOM 969 N VAL A 71 -5.501 -2.671 13.206 1.00 0.00 N ATOM 970 CA VAL A 71 -4.710 -3.898 13.261 1.00 0.00 C ATOM 971 C VAL A 71 -5.585 -5.064 13.670 1.00 0.00 C ATOM 972 O VAL A 71 -5.481 -6.144 13.114 1.00 0.00 O ATOM 973 CB VAL A 71 -3.532 -3.761 14.258 1.00 0.00 C ATOM 974 CG1 VAL A 71 -2.665 -5.016 14.256 1.00 0.00 C ATOM 975 CG2 VAL A 71 -2.697 -2.529 13.927 1.00 0.00 C ATOM 0 H VAL A 71 -5.199 -1.949 13.860 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.302 -4.078 12.266 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.945 -3.641 15.259 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.846 -4.893 14.964 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.269 -5.876 14.545 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.260 -5.177 13.257 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.873 -2.446 14.636 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.298 -2.620 12.917 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.322 -1.638 13.991 1.00 0.00 H new ATOM 985 N GLN A 72 -6.473 -4.824 14.618 1.00 0.00 N ATOM 986 CA GLN A 72 -7.367 -5.863 15.106 1.00 0.00 C ATOM 987 C GLN A 72 -8.256 -6.412 13.993 1.00 0.00 C ATOM 988 O GLN A 72 -8.401 -7.616 13.858 1.00 0.00 O ATOM 989 CB GLN A 72 -8.208 -5.348 16.270 1.00 0.00 C ATOM 990 CG GLN A 72 -7.414 -5.173 17.554 1.00 0.00 C ATOM 991 CD GLN A 72 -8.217 -4.517 18.656 1.00 0.00 C ATOM 992 OE1 GLN A 72 -9.436 -4.638 18.711 1.00 0.00 O ATOM 993 NE2 GLN A 72 -7.534 -3.823 19.542 1.00 0.00 N ATOM 0 H GLN A 72 -6.596 -3.917 15.067 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.749 -6.686 15.465 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.653 -4.392 15.993 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.029 -6.041 16.451 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.065 -6.148 17.896 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.528 -4.572 17.349 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.520 -3.748 19.459 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -8.019 -3.361 20.311 1.00 0.00 H new ATOM 1002 N ALA A 73 -8.815 -5.527 13.184 1.00 0.00 N ATOM 1003 CA ALA A 73 -9.691 -5.935 12.096 1.00 0.00 C ATOM 1004 C ALA A 73 -8.930 -6.683 11.012 1.00 0.00 C ATOM 1005 O ALA A 73 -9.378 -7.726 10.541 1.00 0.00 O ATOM 1006 CB ALA A 73 -10.403 -4.731 11.503 1.00 0.00 C ATOM 0 H ALA A 73 -8.678 -4.519 13.260 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.433 -6.616 12.512 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.053 -5.056 10.691 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.001 -4.245 12.274 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.666 -4.026 11.118 1.00 0.00 H new ATOM 1012 N VAL A 74 -7.775 -6.154 10.625 1.00 0.00 N ATOM 1013 CA VAL A 74 -6.969 -6.767 9.572 1.00 0.00 C ATOM 1014 C VAL A 74 -6.371 -8.096 10.030 1.00 0.00 C ATOM 1015 O VAL A 74 -6.301 -9.056 9.260 1.00 0.00 O ATOM 1016 CB VAL A 74 -5.839 -5.818 9.093 1.00 0.00 C ATOM 1017 CG1 VAL A 74 -4.985 -6.485 8.021 1.00 0.00 C ATOM 1018 CG2 VAL A 74 -6.429 -4.522 8.566 1.00 0.00 C ATOM 0 H VAL A 74 -7.375 -5.304 11.023 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.638 -6.957 8.733 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.199 -5.593 9.946 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.200 -5.799 7.702 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.533 -7.390 8.427 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.610 -6.744 7.166 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.625 -3.865 8.233 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.092 -4.738 7.728 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.994 -4.031 9.358 1.00 0.00 H new ATOM 1028 N SER A 75 -5.959 -8.154 11.280 1.00 0.00 N ATOM 1029 CA SER A 75 -5.374 -9.362 11.829 1.00 0.00 C ATOM 1030 C SER A 75 -6.458 -10.419 12.098 1.00 0.00 C ATOM 1031 O SER A 75 -6.173 -11.615 12.171 1.00 0.00 O ATOM 1032 CB SER A 75 -4.596 -9.029 13.108 1.00 0.00 C ATOM 1033 OG SER A 75 -5.464 -8.570 14.130 1.00 0.00 O ATOM 0 H SER A 75 -6.018 -7.376 11.937 1.00 0.00 H new ATOM 0 HA SER A 75 -4.680 -9.781 11.101 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.061 -9.914 13.452 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.847 -8.267 12.893 1.00 0.00 H new ATOM 0 HG SER A 75 -5.732 -7.647 13.941 1.00 0.00 H new ATOM 1039 N ARG A 76 -7.700 -9.965 12.235 1.00 0.00 N ATOM 1040 CA ARG A 76 -8.831 -10.855 12.470 1.00 0.00 C ATOM 1041 C ARG A 76 -9.469 -11.254 11.143 1.00 0.00 C ATOM 1042 O ARG A 76 -10.336 -12.135 11.089 1.00 0.00 O ATOM 1043 CB ARG A 76 -9.866 -10.161 13.366 1.00 0.00 C ATOM 1044 CG ARG A 76 -11.062 -11.021 13.768 1.00 0.00 C ATOM 1045 CD ARG A 76 -10.664 -12.159 14.699 1.00 0.00 C ATOM 1046 NE ARG A 76 -9.917 -13.220 14.015 1.00 0.00 N ATOM 1047 CZ ARG A 76 -8.861 -13.857 14.532 1.00 0.00 C ATOM 1048 NH1 ARG A 76 -8.392 -13.514 15.726 1.00 0.00 N ATOM 1049 NH2 ARG A 76 -8.274 -14.832 13.850 1.00 0.00 N ATOM 0 H ARG A 76 -7.949 -8.977 12.187 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.475 -11.754 12.972 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -9.366 -9.817 14.271 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.234 -9.275 12.849 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.808 -10.396 14.259 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -11.529 -11.432 12.873 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.058 -11.761 15.513 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.561 -12.585 15.149 1.00 0.00 H new ATOM 0 HE ARG A 76 -10.224 -13.491 13.081 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.837 -12.762 16.252 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.586 -14.002 16.117 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.628 -15.096 12.931 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.469 -15.317 14.245 1.00 0.00 H new ATOM 1063 N LEU A 77 -9.031 -10.608 10.079 1.00 0.00 N ATOM 1064 CA LEU A 77 -9.548 -10.875 8.753 1.00 0.00 C ATOM 1065 C LEU A 77 -9.193 -12.312 8.351 1.00 0.00 C ATOM 1066 O LEU A 77 -8.110 -12.804 8.701 1.00 0.00 O ATOM 1067 CB LEU A 77 -8.962 -9.856 7.761 1.00 0.00 C ATOM 1068 CG LEU A 77 -9.897 -9.369 6.645 1.00 0.00 C ATOM 1069 CD1 LEU A 77 -11.167 -8.766 7.237 1.00 0.00 C ATOM 1070 CD2 LEU A 77 -9.188 -8.341 5.776 1.00 0.00 C ATOM 0 H LEU A 77 -8.310 -9.887 10.110 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.633 -10.774 8.743 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.623 -8.987 8.325 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.080 -10.299 7.298 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.172 -10.224 6.028 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.818 -8.426 6.432 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.686 -9.520 7.829 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -10.906 -7.921 7.874 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.862 -8.004 4.988 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.891 -7.490 6.389 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.303 -8.792 5.328 1.00 0.00 H new ATOM 1171 N TYR A 86 -3.567 -9.654 0.230 1.00 0.00 N ATOM 1172 CA TYR A 86 -3.536 -8.214 0.362 1.00 0.00 C ATOM 1173 C TYR A 86 -2.525 -7.626 -0.623 1.00 0.00 C ATOM 1174 O TYR A 86 -2.092 -8.284 -1.568 1.00 0.00 O ATOM 1175 CB TYR A 86 -3.126 -7.802 1.787 1.00 0.00 C ATOM 1176 CG TYR A 86 -3.979 -8.360 2.906 1.00 0.00 C ATOM 1177 CD1 TYR A 86 -5.326 -8.644 2.723 1.00 0.00 C ATOM 1178 CD2 TYR A 86 -3.427 -8.579 4.159 1.00 0.00 C ATOM 1179 CE1 TYR A 86 -6.094 -9.135 3.763 1.00 0.00 C ATOM 1180 CE2 TYR A 86 -4.184 -9.070 5.199 1.00 0.00 C ATOM 1181 CZ TYR A 86 -5.514 -9.347 5.000 1.00 0.00 C ATOM 1182 OH TYR A 86 -6.267 -9.842 6.039 1.00 0.00 O ATOM 0 HA TYR A 86 -4.536 -7.835 0.152 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -2.095 -8.113 1.952 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -3.144 -6.714 1.850 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.779 -8.479 1.757 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -2.382 -8.360 4.322 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.141 -9.352 3.610 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -3.734 -9.236 6.167 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.705 -9.932 6.837 1.00 0.00 H new ATOM 1192 N ALA A 87 -2.131 -6.392 -0.372 1.00 0.00 N ATOM 1193 CA ALA A 87 -1.137 -5.710 -1.182 1.00 0.00 C ATOM 1194 C ALA A 87 0.265 -6.192 -0.817 1.00 0.00 C ATOM 1195 O ALA A 87 1.205 -5.398 -0.749 1.00 0.00 O ATOM 1196 CB ALA A 87 -1.240 -4.226 -0.934 1.00 0.00 C ATOM 0 H ALA A 87 -2.491 -5.832 0.401 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.318 -5.928 -2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.498 -3.704 -1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.237 -3.880 -1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.060 -4.020 0.121 1.00 0.00 H new ATOM 1202 N GLN A 88 0.393 -7.492 -0.611 1.00 0.00 N ATOM 1203 CA GLN A 88 1.636 -8.094 -0.178 1.00 0.00 C ATOM 1204 C GLN A 88 2.715 -7.935 -1.239 1.00 0.00 C ATOM 1205 O GLN A 88 3.728 -7.278 -1.021 1.00 0.00 O ATOM 1206 CB GLN A 88 1.412 -9.580 0.095 1.00 0.00 C ATOM 1207 CG GLN A 88 2.380 -10.171 1.091 1.00 0.00 C ATOM 1208 CD GLN A 88 2.028 -9.793 2.508 1.00 0.00 C ATOM 1209 OE1 GLN A 88 1.319 -10.522 3.196 1.00 0.00 O ATOM 1210 NE2 GLN A 88 2.494 -8.646 2.945 1.00 0.00 N ATOM 0 H GLN A 88 -0.367 -8.159 -0.741 1.00 0.00 H new ATOM 0 HA GLN A 88 1.965 -7.591 0.731 1.00 0.00 H new ATOM 0 HB2 GLN A 88 0.396 -9.723 0.462 1.00 0.00 H new ATOM 0 HB3 GLN A 88 1.492 -10.128 -0.844 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.383 -11.257 0.995 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.389 -9.828 0.864 1.00 0.00 H new ATOM 0 HE21 GLN A 88 3.080 -8.070 2.341 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.270 -8.331 3.889 1.00 0.00 H new ATOM 1219 N ALA A 89 2.471 -8.506 -2.403 1.00 0.00 N ATOM 1220 CA ALA A 89 3.428 -8.444 -3.486 1.00 0.00 C ATOM 1221 C ALA A 89 3.336 -7.110 -4.205 1.00 0.00 C ATOM 1222 O ALA A 89 4.319 -6.620 -4.754 1.00 0.00 O ATOM 1223 CB ALA A 89 3.203 -9.594 -4.456 1.00 0.00 C ATOM 0 H ALA A 89 1.616 -9.018 -2.621 1.00 0.00 H new ATOM 0 HA ALA A 89 4.431 -8.536 -3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.930 -9.535 -5.266 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.322 -10.542 -3.931 1.00 0.00 H new ATOM 0 HB3 ALA A 89 2.196 -9.531 -4.868 1.00 0.00 H new ATOM 1229 N PHE A 90 2.154 -6.506 -4.158 1.00 0.00 N ATOM 1230 CA PHE A 90 1.896 -5.235 -4.839 1.00 0.00 C ATOM 1231 C PHE A 90 2.479 -4.054 -4.067 1.00 0.00 C ATOM 1232 O PHE A 90 2.208 -2.895 -4.391 1.00 0.00 O ATOM 1233 CB PHE A 90 0.389 -5.034 -5.033 1.00 0.00 C ATOM 1234 CG PHE A 90 -0.262 -6.081 -5.895 1.00 0.00 C ATOM 1235 CD1 PHE A 90 -0.317 -5.928 -7.271 1.00 0.00 C ATOM 1236 CD2 PHE A 90 -0.821 -7.216 -5.327 1.00 0.00 C ATOM 1237 CE1 PHE A 90 -0.917 -6.888 -8.065 1.00 0.00 C ATOM 1238 CE2 PHE A 90 -1.421 -8.178 -6.116 1.00 0.00 C ATOM 1239 CZ PHE A 90 -1.469 -8.013 -7.485 1.00 0.00 C ATOM 0 H PHE A 90 1.350 -6.877 -3.651 1.00 0.00 H new ATOM 0 HA PHE A 90 2.386 -5.278 -5.812 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.095 -5.030 -4.056 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.218 -4.054 -5.478 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.113 -5.049 -7.728 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.787 -7.349 -4.256 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.954 -6.758 -9.137 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -1.852 -9.058 -5.662 1.00 0.00 H new ATOM 0 HZ PHE A 90 -1.938 -8.764 -8.103 1.00 0.00 H new ATOM 1249 N SER A 91 3.285 -4.359 -3.062 1.00 0.00 N ATOM 1250 CA SER A 91 3.907 -3.353 -2.220 1.00 0.00 C ATOM 1251 C SER A 91 4.640 -2.289 -3.052 1.00 0.00 C ATOM 1252 O SER A 91 4.405 -1.099 -2.880 1.00 0.00 O ATOM 1253 CB SER A 91 4.871 -4.028 -1.231 1.00 0.00 C ATOM 1254 OG SER A 91 5.487 -3.082 -0.374 1.00 0.00 O ATOM 0 H SER A 91 3.526 -5.317 -2.807 1.00 0.00 H new ATOM 0 HA SER A 91 3.121 -2.842 -1.664 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.327 -4.760 -0.634 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.637 -4.573 -1.783 1.00 0.00 H new ATOM 0 HG SER A 91 6.432 -3.314 -0.256 1.00 0.00 H new ATOM 1260 N SER A 92 5.496 -2.724 -3.970 1.00 0.00 N ATOM 1261 CA SER A 92 6.288 -1.794 -4.790 1.00 0.00 C ATOM 1262 C SER A 92 5.426 -0.836 -5.616 1.00 0.00 C ATOM 1263 O SER A 92 5.798 0.326 -5.813 1.00 0.00 O ATOM 1264 CB SER A 92 7.234 -2.554 -5.718 1.00 0.00 C ATOM 1265 OG SER A 92 8.152 -3.343 -4.983 1.00 0.00 O ATOM 0 H SER A 92 5.664 -3.710 -4.170 1.00 0.00 H new ATOM 0 HA SER A 92 6.864 -1.193 -4.086 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.656 -3.192 -6.386 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.778 -1.847 -6.344 1.00 0.00 H new ATOM 0 HG SER A 92 8.231 -4.227 -5.399 1.00 0.00 H new ATOM 1271 N ALA A 93 4.288 -1.310 -6.084 1.00 0.00 N ATOM 1272 CA ALA A 93 3.436 -0.503 -6.941 1.00 0.00 C ATOM 1273 C ALA A 93 2.574 0.456 -6.143 1.00 0.00 C ATOM 1274 O ALA A 93 2.245 1.531 -6.618 1.00 0.00 O ATOM 1275 CB ALA A 93 2.568 -1.386 -7.815 1.00 0.00 C ATOM 0 H ALA A 93 3.931 -2.245 -5.888 1.00 0.00 H new ATOM 0 HA ALA A 93 4.090 0.093 -7.577 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.937 -0.763 -8.449 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.202 -2.015 -8.440 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.940 -2.016 -7.185 1.00 0.00 H new ATOM 1281 N LEU A 94 2.177 0.051 -4.956 1.00 0.00 N ATOM 1282 CA LEU A 94 1.336 0.895 -4.124 1.00 0.00 C ATOM 1283 C LEU A 94 2.155 1.858 -3.266 1.00 0.00 C ATOM 1284 O LEU A 94 1.733 2.981 -3.006 1.00 0.00 O ATOM 1285 CB LEU A 94 0.421 0.051 -3.246 1.00 0.00 C ATOM 1286 CG LEU A 94 -0.389 -1.024 -3.968 1.00 0.00 C ATOM 1287 CD1 LEU A 94 -1.505 -1.529 -3.081 1.00 0.00 C ATOM 1288 CD2 LEU A 94 -0.934 -0.503 -5.287 1.00 0.00 C ATOM 0 H LEU A 94 2.419 -0.850 -4.544 1.00 0.00 H new ATOM 0 HA LEU A 94 0.724 1.496 -4.797 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.028 -0.432 -2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.272 0.716 -2.731 1.00 0.00 H new ATOM 0 HG LEU A 94 0.275 -1.859 -4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.073 -2.294 -3.610 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.082 -1.955 -2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.166 -0.702 -2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.506 -1.289 -5.780 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.581 0.354 -5.100 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.106 -0.200 -5.928 1.00 0.00 H new ATOM 1300 N PHE A 95 3.313 1.402 -2.810 1.00 0.00 N ATOM 1301 CA PHE A 95 4.168 2.208 -1.947 1.00 0.00 C ATOM 1302 C PHE A 95 4.951 3.237 -2.764 1.00 0.00 C ATOM 1303 O PHE A 95 5.254 4.326 -2.274 1.00 0.00 O ATOM 1304 CB PHE A 95 5.125 1.297 -1.148 1.00 0.00 C ATOM 1305 CG PHE A 95 5.985 2.017 -0.147 1.00 0.00 C ATOM 1306 CD1 PHE A 95 5.447 2.467 1.049 1.00 0.00 C ATOM 1307 CD2 PHE A 95 7.335 2.231 -0.392 1.00 0.00 C ATOM 1308 CE1 PHE A 95 6.232 3.119 1.978 1.00 0.00 C ATOM 1309 CE2 PHE A 95 8.126 2.884 0.535 1.00 0.00 C ATOM 1310 CZ PHE A 95 7.574 3.328 1.721 1.00 0.00 C ATOM 0 H PHE A 95 3.684 0.476 -3.023 1.00 0.00 H new ATOM 0 HA PHE A 95 3.538 2.752 -1.243 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.536 0.543 -0.626 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.771 0.768 -1.848 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.400 2.305 1.256 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.772 1.884 -1.317 1.00 0.00 H new ATOM 0 HE1 PHE A 95 5.798 3.465 2.904 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.174 3.047 0.332 1.00 0.00 H new ATOM 0 HZ PHE A 95 8.190 3.838 2.447 1.00 0.00 H new ATOM 1320 N ASN A 96 5.259 2.873 -4.014 1.00 0.00 N ATOM 1321 CA ASN A 96 6.011 3.734 -4.944 1.00 0.00 C ATOM 1322 C ASN A 96 7.311 4.239 -4.323 1.00 0.00 C ATOM 1323 O ASN A 96 7.379 5.352 -3.811 1.00 0.00 O ATOM 1324 CB ASN A 96 5.168 4.924 -5.435 1.00 0.00 C ATOM 1325 CG ASN A 96 3.954 4.523 -6.247 1.00 0.00 C ATOM 1326 OD1 ASN A 96 2.925 5.188 -6.207 1.00 0.00 O ATOM 1327 ND2 ASN A 96 4.075 3.460 -7.011 1.00 0.00 N ATOM 0 H ASN A 96 4.995 1.972 -4.413 1.00 0.00 H new ATOM 0 HA ASN A 96 6.258 3.112 -5.804 1.00 0.00 H new ATOM 0 HB2 ASN A 96 4.840 5.505 -4.573 1.00 0.00 H new ATOM 0 HB3 ASN A 96 5.797 5.578 -6.039 1.00 0.00 H new ATOM 0 HD21 ASN A 96 3.296 3.163 -7.598 1.00 0.00 H new ATOM 0 HD22 ASN A 96 4.948 2.933 -7.017 1.00 0.00 H new ATOM 1334 N ALA A 97 8.343 3.413 -4.378 1.00 0.00 N ATOM 1335 CA ALA A 97 9.642 3.767 -3.808 1.00 0.00 C ATOM 1336 C ALA A 97 10.364 4.822 -4.657 1.00 0.00 C ATOM 1337 O ALA A 97 11.380 5.369 -4.246 1.00 0.00 O ATOM 1338 CB ALA A 97 10.504 2.524 -3.659 1.00 0.00 C ATOM 0 H ALA A 97 8.311 2.490 -4.811 1.00 0.00 H new ATOM 0 HA ALA A 97 9.468 4.201 -2.823 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.469 2.799 -3.234 1.00 0.00 H new ATOM 0 HB2 ALA A 97 10.006 1.813 -3.000 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.656 2.067 -4.637 1.00 0.00 H new ATOM 1344 N GLY A 98 9.839 5.079 -5.850 1.00 0.00 N ATOM 1345 CA GLY A 98 10.440 6.059 -6.744 1.00 0.00 C ATOM 1346 C GLY A 98 11.509 5.449 -7.622 1.00 0.00 C ATOM 1347 O GLY A 98 11.928 6.039 -8.611 1.00 0.00 O ATOM 0 H GLY A 98 9.003 4.625 -6.218 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.665 6.500 -7.371 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.873 6.868 -6.156 1.00 0.00 H new ATOM 1351 N VAL A 99 11.928 4.248 -7.269 1.00 0.00 N ATOM 1352 CA VAL A 99 12.976 3.540 -7.991 1.00 0.00 C ATOM 1353 C VAL A 99 12.348 2.539 -8.961 1.00 0.00 C ATOM 1354 O VAL A 99 13.035 1.861 -9.723 1.00 0.00 O ATOM 1355 CB VAL A 99 13.892 2.769 -7.003 1.00 0.00 C ATOM 1356 CG1 VAL A 99 15.177 2.320 -7.677 1.00 0.00 C ATOM 1357 CG2 VAL A 99 14.190 3.609 -5.770 1.00 0.00 C ATOM 0 H VAL A 99 11.553 3.733 -6.473 1.00 0.00 H new ATOM 0 HA VAL A 99 13.570 4.272 -8.538 1.00 0.00 H new ATOM 0 HB VAL A 99 13.356 1.875 -6.683 1.00 0.00 H new ATOM 0 HG11 VAL A 99 15.796 1.783 -6.958 1.00 0.00 H new ATOM 0 HG12 VAL A 99 14.939 1.663 -8.513 1.00 0.00 H new ATOM 0 HG13 VAL A 99 15.719 3.192 -8.044 1.00 0.00 H new ATOM 0 HG21 VAL A 99 14.833 3.047 -5.093 1.00 0.00 H new ATOM 0 HG22 VAL A 99 14.693 4.528 -6.069 1.00 0.00 H new ATOM 0 HG23 VAL A 99 13.257 3.855 -5.263 1.00 0.00 H new ATOM 1367 N LEU A 100 11.033 2.471 -8.936 1.00 0.00 N ATOM 1368 CA LEU A 100 10.314 1.518 -9.753 1.00 0.00 C ATOM 1369 C LEU A 100 10.080 2.054 -11.147 1.00 0.00 C ATOM 1370 O LEU A 100 10.366 3.208 -11.428 1.00 0.00 O ATOM 1371 CB LEU A 100 8.981 1.100 -9.104 1.00 0.00 C ATOM 1372 CG LEU A 100 7.881 2.161 -9.018 1.00 0.00 C ATOM 1373 CD1 LEU A 100 6.535 1.487 -8.866 1.00 0.00 C ATOM 1374 CD2 LEU A 100 8.116 3.100 -7.851 1.00 0.00 C ATOM 0 H LEU A 100 10.440 3.066 -8.357 1.00 0.00 H new ATOM 0 HA LEU A 100 10.941 0.629 -9.830 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.587 0.249 -9.660 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.192 0.750 -8.094 1.00 0.00 H new ATOM 0 HG LEU A 100 7.899 2.747 -9.937 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.754 2.244 -8.805 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.351 0.844 -9.727 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.530 0.886 -7.957 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.319 3.843 -7.815 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.123 2.531 -6.922 1.00 0.00 H new ATOM 0 HD23 LEU A 100 9.075 3.603 -7.976 1.00 0.00 H new ATOM 1386 N ASN A 101 9.544 1.212 -12.008 1.00 0.00 N ATOM 1387 CA ASN A 101 9.304 1.574 -13.380 1.00 0.00 C ATOM 1388 C ASN A 101 8.200 2.623 -13.450 1.00 0.00 C ATOM 1389 O ASN A 101 7.022 2.313 -13.281 1.00 0.00 O ATOM 1390 CB ASN A 101 8.954 0.317 -14.192 1.00 0.00 C ATOM 1391 CG ASN A 101 8.883 0.570 -15.680 1.00 0.00 C ATOM 1392 OD1 ASN A 101 9.906 0.637 -16.357 1.00 0.00 O ATOM 1393 ND2 ASN A 101 7.688 0.665 -16.206 1.00 0.00 N ATOM 0 H ASN A 101 9.265 0.260 -11.771 1.00 0.00 H new ATOM 0 HA ASN A 101 10.203 2.011 -13.814 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.700 -0.453 -13.996 1.00 0.00 H new ATOM 0 HB3 ASN A 101 7.995 -0.073 -13.850 1.00 0.00 H new ATOM 0 HD21 ASN A 101 7.583 0.800 -17.212 1.00 0.00 H new ATOM 0 HD22 ASN A 101 6.862 0.604 -15.610 1.00 0.00 H new ATOM 1400 N ALA A 102 8.601 3.866 -13.676 1.00 0.00 N ATOM 1401 CA ALA A 102 7.681 5.000 -13.691 1.00 0.00 C ATOM 1402 C ALA A 102 6.666 4.888 -14.814 1.00 0.00 C ATOM 1403 O ALA A 102 5.537 5.370 -14.694 1.00 0.00 O ATOM 1404 CB ALA A 102 8.455 6.304 -13.800 1.00 0.00 C ATOM 0 H ALA A 102 9.573 4.119 -13.854 1.00 0.00 H new ATOM 0 HA ALA A 102 7.129 4.991 -12.751 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.757 7.141 -13.810 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.126 6.401 -12.947 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.037 6.306 -14.721 1.00 0.00 H new ATOM 1410 N SER A 103 7.049 4.223 -15.884 1.00 0.00 N ATOM 1411 CA SER A 103 6.178 4.077 -17.024 1.00 0.00 C ATOM 1412 C SER A 103 5.082 3.062 -16.736 1.00 0.00 C ATOM 1413 O SER A 103 4.067 3.022 -17.413 1.00 0.00 O ATOM 1414 CB SER A 103 6.986 3.695 -18.260 1.00 0.00 C ATOM 1415 OG SER A 103 7.993 2.755 -17.940 1.00 0.00 O ATOM 0 H SER A 103 7.960 3.775 -15.985 1.00 0.00 H new ATOM 0 HA SER A 103 5.694 5.033 -17.223 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.322 3.278 -19.017 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.441 4.587 -18.691 1.00 0.00 H new ATOM 0 HG SER A 103 8.495 2.525 -18.750 1.00 0.00 H new ATOM 1421 N ASN A 104 5.293 2.266 -15.704 1.00 0.00 N ATOM 1422 CA ASN A 104 4.316 1.282 -15.272 1.00 0.00 C ATOM 1423 C ASN A 104 3.094 1.996 -14.707 1.00 0.00 C ATOM 1424 O ASN A 104 1.952 1.707 -15.076 1.00 0.00 O ATOM 1425 CB ASN A 104 4.965 0.372 -14.216 1.00 0.00 C ATOM 1426 CG ASN A 104 3.988 -0.459 -13.407 1.00 0.00 C ATOM 1427 OD1 ASN A 104 2.941 -0.868 -13.888 1.00 0.00 O ATOM 1428 ND2 ASN A 104 4.342 -0.717 -12.160 1.00 0.00 N ATOM 0 H ASN A 104 6.144 2.283 -15.142 1.00 0.00 H new ATOM 0 HA ASN A 104 3.992 0.669 -16.113 1.00 0.00 H new ATOM 0 HB2 ASN A 104 5.665 -0.299 -14.715 1.00 0.00 H new ATOM 0 HB3 ASN A 104 5.548 0.990 -13.533 1.00 0.00 H new ATOM 0 HD21 ASN A 104 3.733 -1.276 -11.562 1.00 0.00 H new ATOM 0 HD22 ASN A 104 5.224 -0.357 -11.796 1.00 0.00 H new ATOM 1435 N ILE A 105 3.348 2.965 -13.849 1.00 0.00 N ATOM 1436 CA ILE A 105 2.286 3.735 -13.222 1.00 0.00 C ATOM 1437 C ILE A 105 1.621 4.672 -14.229 1.00 0.00 C ATOM 1438 O ILE A 105 0.396 4.782 -14.268 1.00 0.00 O ATOM 1439 CB ILE A 105 2.814 4.530 -11.975 1.00 0.00 C ATOM 1440 CG1 ILE A 105 2.930 3.612 -10.745 1.00 0.00 C ATOM 1441 CG2 ILE A 105 1.933 5.733 -11.651 1.00 0.00 C ATOM 1442 CD1 ILE A 105 3.891 2.456 -10.910 1.00 0.00 C ATOM 0 H ILE A 105 4.289 3.241 -13.567 1.00 0.00 H new ATOM 0 HA ILE A 105 1.533 3.031 -12.869 1.00 0.00 H new ATOM 0 HB ILE A 105 3.806 4.902 -12.232 1.00 0.00 H new ATOM 0 HG12 ILE A 105 3.245 4.210 -9.890 1.00 0.00 H new ATOM 0 HG13 ILE A 105 1.942 3.215 -10.510 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.334 6.254 -10.782 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.915 6.411 -12.504 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.920 5.394 -11.435 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.908 1.864 -9.995 1.00 0.00 H new ATOM 0 HD12 ILE A 105 3.568 1.830 -11.742 1.00 0.00 H new ATOM 0 HD13 ILE A 105 4.891 2.840 -11.112 1.00 0.00 H new ATOM 1454 N ASP A 106 2.432 5.305 -15.060 1.00 0.00 N ATOM 1455 CA ASP A 106 1.936 6.247 -16.070 1.00 0.00 C ATOM 1456 C ASP A 106 1.110 5.548 -17.156 1.00 0.00 C ATOM 1457 O ASP A 106 0.173 6.131 -17.709 1.00 0.00 O ATOM 1458 CB ASP A 106 3.115 6.997 -16.708 1.00 0.00 C ATOM 1459 CG ASP A 106 2.710 7.853 -17.897 1.00 0.00 C ATOM 1460 OD1 ASP A 106 2.103 8.924 -17.690 1.00 0.00 O ATOM 1461 OD2 ASP A 106 3.022 7.467 -19.051 1.00 0.00 O ATOM 0 H ASP A 106 3.445 5.188 -15.061 1.00 0.00 H new ATOM 0 HA ASP A 106 1.278 6.954 -15.565 1.00 0.00 H new ATOM 0 HB2 ASP A 106 3.583 7.631 -15.955 1.00 0.00 H new ATOM 0 HB3 ASP A 106 3.866 6.275 -17.028 1.00 0.00 H new ATOM 1466 N THR A 107 1.439 4.300 -17.440 1.00 0.00 N ATOM 1467 CA THR A 107 0.783 3.578 -18.522 1.00 0.00 C ATOM 1468 C THR A 107 -0.439 2.794 -18.060 1.00 0.00 C ATOM 1469 O THR A 107 -1.521 2.939 -18.624 1.00 0.00 O ATOM 1470 CB THR A 107 1.762 2.614 -19.230 1.00 0.00 C ATOM 1471 OG1 THR A 107 2.876 3.352 -19.749 1.00 0.00 O ATOM 1472 CG2 THR A 107 1.075 1.867 -20.367 1.00 0.00 C ATOM 0 H THR A 107 2.151 3.766 -16.942 1.00 0.00 H new ATOM 0 HA THR A 107 0.448 4.343 -19.222 1.00 0.00 H new ATOM 0 HB THR A 107 2.108 1.884 -18.498 1.00 0.00 H new ATOM 0 HG1 THR A 107 3.521 3.519 -19.030 1.00 0.00 H new ATOM 0 HG21 THR A 107 1.789 1.197 -20.846 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.242 1.287 -19.970 1.00 0.00 H new ATOM 0 HG23 THR A 107 0.702 2.583 -21.099 1.00 0.00 H new ATOM 1480 N LEU A 108 -0.277 1.972 -17.040 1.00 0.00 N ATOM 1481 CA LEU A 108 -1.363 1.105 -16.615 1.00 0.00 C ATOM 1482 C LEU A 108 -1.827 1.400 -15.198 1.00 0.00 C ATOM 1483 O LEU A 108 -2.986 1.169 -14.865 1.00 0.00 O ATOM 1484 CB LEU A 108 -0.940 -0.363 -16.758 1.00 0.00 C ATOM 1485 CG LEU A 108 0.254 -0.806 -15.900 1.00 0.00 C ATOM 1486 CD1 LEU A 108 -0.205 -1.345 -14.545 1.00 0.00 C ATOM 1487 CD2 LEU A 108 1.091 -1.836 -16.637 1.00 0.00 C ATOM 0 H LEU A 108 0.582 1.885 -16.497 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.216 1.302 -17.265 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.794 -0.993 -16.509 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.700 -0.551 -17.804 1.00 0.00 H new ATOM 0 HG LEU A 108 0.875 0.070 -15.714 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.664 -1.650 -13.962 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.747 -0.566 -14.008 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.859 -2.203 -14.698 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.932 -2.137 -16.012 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.478 -2.708 -16.864 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.465 -1.404 -17.565 1.00 0.00 H new ATOM 1499 N GLY A 109 -0.926 1.913 -14.372 1.00 0.00 N ATOM 1500 CA GLY A 109 -1.257 2.190 -12.983 1.00 0.00 C ATOM 1501 C GLY A 109 -2.458 3.101 -12.832 1.00 0.00 C ATOM 1502 O GLY A 109 -3.506 2.688 -12.329 1.00 0.00 O ATOM 0 H GLY A 109 0.032 2.144 -14.637 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.454 1.250 -12.468 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.397 2.648 -12.494 1.00 0.00 H new ATOM 1506 N SER A 110 -2.321 4.321 -13.286 1.00 0.00 N ATOM 1507 CA SER A 110 -3.385 5.296 -13.173 1.00 0.00 C ATOM 1508 C SER A 110 -4.494 5.056 -14.211 1.00 0.00 C ATOM 1509 O SER A 110 -5.573 5.633 -14.120 1.00 0.00 O ATOM 1510 CB SER A 110 -2.808 6.697 -13.310 1.00 0.00 C ATOM 1511 OG SER A 110 -1.842 6.736 -14.341 1.00 0.00 O ATOM 0 H SER A 110 -1.477 4.668 -13.742 1.00 0.00 H new ATOM 0 HA SER A 110 -3.843 5.190 -12.190 1.00 0.00 H new ATOM 0 HB2 SER A 110 -3.607 7.406 -13.525 1.00 0.00 H new ATOM 0 HB3 SER A 110 -2.355 7.004 -12.367 1.00 0.00 H new ATOM 0 HG SER A 110 -1.482 7.644 -14.417 1.00 0.00 H new ATOM 1517 N ARG A 111 -4.224 4.192 -15.182 1.00 0.00 N ATOM 1518 CA ARG A 111 -5.200 3.892 -16.232 1.00 0.00 C ATOM 1519 C ARG A 111 -6.154 2.773 -15.821 1.00 0.00 C ATOM 1520 O ARG A 111 -7.369 2.941 -15.861 1.00 0.00 O ATOM 1521 CB ARG A 111 -4.507 3.514 -17.545 1.00 0.00 C ATOM 1522 CG ARG A 111 -4.137 4.690 -18.451 1.00 0.00 C ATOM 1523 CD ARG A 111 -3.154 5.646 -17.793 1.00 0.00 C ATOM 1524 NE ARG A 111 -3.829 6.783 -17.155 1.00 0.00 N ATOM 1525 CZ ARG A 111 -3.237 7.951 -16.896 1.00 0.00 C ATOM 1526 NH1 ARG A 111 -1.947 8.123 -17.168 1.00 0.00 N ATOM 1527 NH2 ARG A 111 -3.935 8.940 -16.353 1.00 0.00 N ATOM 0 H ARG A 111 -3.342 3.687 -15.268 1.00 0.00 H new ATOM 0 HA ARG A 111 -5.780 4.802 -16.384 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -3.599 2.958 -17.311 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -5.160 2.840 -18.100 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -3.704 4.309 -19.376 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -5.042 5.234 -18.722 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -2.570 5.107 -17.047 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -2.453 6.015 -18.541 1.00 0.00 H new ATOM 0 HE ARG A 111 -4.809 6.674 -16.894 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -1.406 7.361 -17.576 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -1.499 9.017 -16.969 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -4.922 8.807 -16.134 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -3.484 9.833 -16.154 1.00 0.00 H new ATOM 1541 N VAL A 112 -5.599 1.638 -15.436 1.00 0.00 N ATOM 1542 CA VAL A 112 -6.403 0.477 -15.078 1.00 0.00 C ATOM 1543 C VAL A 112 -6.879 0.562 -13.634 1.00 0.00 C ATOM 1544 O VAL A 112 -8.077 0.480 -13.360 1.00 0.00 O ATOM 1545 CB VAL A 112 -5.617 -0.841 -15.285 1.00 0.00 C ATOM 1546 CG1 VAL A 112 -6.491 -2.049 -14.975 1.00 0.00 C ATOM 1547 CG2 VAL A 112 -5.073 -0.923 -16.706 1.00 0.00 C ATOM 0 H VAL A 112 -4.592 1.492 -15.362 1.00 0.00 H new ATOM 0 HA VAL A 112 -7.270 0.475 -15.738 1.00 0.00 H new ATOM 0 HB VAL A 112 -4.775 -0.846 -14.593 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -5.916 -2.963 -15.128 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -6.826 -2.000 -13.939 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.358 -2.050 -15.636 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -4.524 -1.856 -16.832 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -5.900 -0.890 -17.415 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -4.405 -0.081 -16.889 1.00 0.00 H new ATOM 1557 N LEU A 113 -5.941 0.736 -12.720 1.00 0.00 N ATOM 1558 CA LEU A 113 -6.260 0.822 -11.302 1.00 0.00 C ATOM 1559 C LEU A 113 -6.921 2.161 -11.004 1.00 0.00 C ATOM 1560 O LEU A 113 -8.037 2.213 -10.500 1.00 0.00 O ATOM 1561 CB LEU A 113 -4.998 0.639 -10.436 1.00 0.00 C ATOM 1562 CG LEU A 113 -4.340 -0.761 -10.439 1.00 0.00 C ATOM 1563 CD1 LEU A 113 -3.792 -1.120 -11.814 1.00 0.00 C ATOM 1564 CD2 LEU A 113 -3.228 -0.823 -9.403 1.00 0.00 C ATOM 0 H LEU A 113 -4.947 0.821 -12.934 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.952 0.017 -11.054 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.253 1.364 -10.765 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.254 0.890 -9.407 1.00 0.00 H new ATOM 0 HG LEU A 113 -5.111 -1.489 -10.185 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.337 -2.110 -11.777 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.604 -1.120 -12.541 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -3.041 -0.387 -12.109 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.774 -1.814 -9.416 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.471 -0.074 -9.636 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.641 -0.626 -8.414 1.00 0.00 H new ATOM 1576 N SER A 114 -6.215 3.239 -11.323 1.00 0.00 N ATOM 1577 CA SER A 114 -6.746 4.595 -11.188 1.00 0.00 C ATOM 1578 C SER A 114 -6.979 5.017 -9.723 1.00 0.00 C ATOM 1579 O SER A 114 -6.092 5.593 -9.087 1.00 0.00 O ATOM 1580 CB SER A 114 -8.048 4.722 -11.985 1.00 0.00 C ATOM 1581 OG SER A 114 -7.840 4.427 -13.359 1.00 0.00 O ATOM 0 H SER A 114 -5.261 3.201 -11.682 1.00 0.00 H new ATOM 0 HA SER A 114 -5.990 5.271 -11.588 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.797 4.045 -11.574 1.00 0.00 H new ATOM 0 HB3 SER A 114 -8.443 5.733 -11.883 1.00 0.00 H new ATOM 0 HG SER A 114 -7.100 4.970 -13.702 1.00 0.00 H new ATOM 1587 N ALA A 115 -8.165 4.682 -9.199 1.00 0.00 N ATOM 1588 CA ALA A 115 -8.621 5.117 -7.869 1.00 0.00 C ATOM 1589 C ALA A 115 -7.629 4.800 -6.761 1.00 0.00 C ATOM 1590 O ALA A 115 -7.459 5.585 -5.825 1.00 0.00 O ATOM 1591 CB ALA A 115 -9.975 4.498 -7.555 1.00 0.00 C ATOM 0 H ALA A 115 -8.842 4.097 -9.689 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.707 6.203 -7.906 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.305 4.825 -6.569 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.702 4.813 -8.304 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.890 3.411 -7.567 1.00 0.00 H new ATOM 1597 N LEU A 116 -6.977 3.666 -6.865 1.00 0.00 N ATOM 1598 CA LEU A 116 -6.031 3.248 -5.861 1.00 0.00 C ATOM 1599 C LEU A 116 -4.837 4.193 -5.818 1.00 0.00 C ATOM 1600 O LEU A 116 -4.479 4.707 -4.757 1.00 0.00 O ATOM 1601 CB LEU A 116 -5.584 1.809 -6.125 1.00 0.00 C ATOM 1602 CG LEU A 116 -4.570 1.226 -5.139 1.00 0.00 C ATOM 1603 CD1 LEU A 116 -5.048 1.397 -3.707 1.00 0.00 C ATOM 1604 CD2 LEU A 116 -4.336 -0.240 -5.444 1.00 0.00 C ATOM 0 H LEU A 116 -7.087 3.013 -7.641 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.518 3.283 -4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.467 1.170 -6.126 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -5.155 1.761 -7.126 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.630 1.767 -5.249 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.311 0.975 -3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.177 2.457 -3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -6.000 0.882 -3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.613 -0.648 -4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.276 -0.785 -5.356 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.950 -0.344 -6.458 1.00 0.00 H new ATOM 1616 N LEU A 117 -4.245 4.445 -6.975 1.00 0.00 N ATOM 1617 CA LEU A 117 -3.097 5.314 -7.060 1.00 0.00 C ATOM 1618 C LEU A 117 -3.430 6.756 -6.756 1.00 0.00 C ATOM 1619 O LEU A 117 -2.557 7.522 -6.364 1.00 0.00 O ATOM 1620 CB LEU A 117 -2.396 5.180 -8.395 1.00 0.00 C ATOM 1621 CG LEU A 117 -1.773 3.820 -8.616 1.00 0.00 C ATOM 1622 CD1 LEU A 117 -2.739 2.877 -9.293 1.00 0.00 C ATOM 1623 CD2 LEU A 117 -0.467 3.922 -9.378 1.00 0.00 C ATOM 0 H LEU A 117 -4.547 4.055 -7.868 1.00 0.00 H new ATOM 0 HA LEU A 117 -2.406 4.985 -6.284 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -3.111 5.377 -9.193 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -1.620 5.942 -8.467 1.00 0.00 H new ATOM 0 HG LEU A 117 -1.542 3.403 -7.636 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -2.261 1.908 -9.438 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -3.625 2.755 -8.670 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -3.029 3.286 -10.261 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.049 2.925 -9.518 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.648 4.379 -10.351 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.236 4.535 -8.814 1.00 0.00 H new ATOM 1635 N ASN A 118 -4.689 7.132 -6.924 1.00 0.00 N ATOM 1636 CA ASN A 118 -5.116 8.486 -6.583 1.00 0.00 C ATOM 1637 C ASN A 118 -4.896 8.717 -5.103 1.00 0.00 C ATOM 1638 O ASN A 118 -4.603 9.829 -4.662 1.00 0.00 O ATOM 1639 CB ASN A 118 -6.590 8.720 -6.929 1.00 0.00 C ATOM 1640 CG ASN A 118 -6.899 8.536 -8.402 1.00 0.00 C ATOM 1641 OD1 ASN A 118 -8.029 8.217 -8.770 1.00 0.00 O ATOM 1642 ND2 ASN A 118 -5.905 8.721 -9.251 1.00 0.00 N ATOM 0 H ASN A 118 -5.427 6.530 -7.289 1.00 0.00 H new ATOM 0 HA ASN A 118 -4.523 9.189 -7.169 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -7.205 8.033 -6.348 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -6.870 9.730 -6.630 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -6.060 8.600 -10.252 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -4.982 8.985 -8.906 1.00 0.00 H new ATOM 1649 N GLY A 119 -5.022 7.646 -4.342 1.00 0.00 N ATOM 1650 CA GLY A 119 -4.792 7.714 -2.933 1.00 0.00 C ATOM 1651 C GLY A 119 -3.326 7.554 -2.594 1.00 0.00 C ATOM 1652 O GLY A 119 -2.796 8.292 -1.765 1.00 0.00 O ATOM 0 H GLY A 119 -5.283 6.723 -4.688 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -5.151 8.670 -2.552 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -5.368 6.935 -2.433 1.00 0.00 H new ATOM 1656 N VAL A 120 -2.651 6.607 -3.257 1.00 0.00 N ATOM 1657 CA VAL A 120 -1.233 6.345 -2.955 1.00 0.00 C ATOM 1658 C VAL A 120 -0.338 7.516 -3.366 1.00 0.00 C ATOM 1659 O VAL A 120 0.670 7.780 -2.722 1.00 0.00 O ATOM 1660 CB VAL A 120 -0.695 5.034 -3.599 1.00 0.00 C ATOM 1661 CG1 VAL A 120 -1.682 3.894 -3.459 1.00 0.00 C ATOM 1662 CG2 VAL A 120 -0.262 5.240 -5.045 1.00 0.00 C ATOM 0 H VAL A 120 -3.049 6.020 -3.990 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.194 6.222 -1.873 1.00 0.00 H new ATOM 0 HB VAL A 120 0.199 4.752 -3.043 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -1.270 2.997 -3.921 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -1.871 3.704 -2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -2.617 4.159 -3.953 1.00 0.00 H new ATOM 0 HG21 VAL A 120 0.106 4.298 -5.452 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -1.113 5.582 -5.634 1.00 0.00 H new ATOM 0 HG23 VAL A 120 0.531 5.987 -5.084 1.00 0.00 H new ATOM 1672 N SER A 121 -0.714 8.213 -4.430 1.00 0.00 N ATOM 1673 CA SER A 121 0.061 9.347 -4.913 1.00 0.00 C ATOM 1674 C SER A 121 0.117 10.445 -3.856 1.00 0.00 C ATOM 1675 O SER A 121 1.107 11.147 -3.738 1.00 0.00 O ATOM 1676 CB SER A 121 -0.531 9.889 -6.222 1.00 0.00 C ATOM 1677 OG SER A 121 0.321 10.862 -6.819 1.00 0.00 O ATOM 0 H SER A 121 -1.552 8.012 -4.975 1.00 0.00 H new ATOM 0 HA SER A 121 1.078 9.008 -5.112 1.00 0.00 H new ATOM 0 HB2 SER A 121 -0.689 9.066 -6.919 1.00 0.00 H new ATOM 0 HB3 SER A 121 -1.507 10.331 -6.025 1.00 0.00 H new ATOM 0 HG SER A 121 -0.084 11.185 -7.651 1.00 0.00 H new ATOM 1683 N SER A 122 -0.959 10.585 -3.102 1.00 0.00 N ATOM 1684 CA SER A 122 -1.016 11.553 -2.031 1.00 0.00 C ATOM 1685 C SER A 122 -0.415 10.963 -0.747 1.00 0.00 C ATOM 1686 O SER A 122 0.285 11.642 0.007 1.00 0.00 O ATOM 1687 CB SER A 122 -2.472 11.987 -1.796 1.00 0.00 C ATOM 1688 OG SER A 122 -2.563 12.992 -0.800 1.00 0.00 O ATOM 0 H SER A 122 -1.810 10.034 -3.217 1.00 0.00 H new ATOM 0 HA SER A 122 -0.431 12.428 -2.312 1.00 0.00 H new ATOM 0 HB2 SER A 122 -2.896 12.359 -2.729 1.00 0.00 H new ATOM 0 HB3 SER A 122 -3.066 11.123 -1.497 1.00 0.00 H new ATOM 0 HG SER A 122 -3.501 13.246 -0.676 1.00 0.00 H new ATOM 1694 N ALA A 123 -0.685 9.686 -0.520 1.00 0.00 N ATOM 1695 CA ALA A 123 -0.250 9.011 0.685 1.00 0.00 C ATOM 1696 C ALA A 123 1.187 8.485 0.594 1.00 0.00 C ATOM 1697 O ALA A 123 2.117 9.106 1.107 1.00 0.00 O ATOM 1698 CB ALA A 123 -1.210 7.881 1.021 1.00 0.00 C ATOM 0 H ALA A 123 -1.209 9.095 -1.165 1.00 0.00 H new ATOM 0 HA ALA A 123 -0.257 9.751 1.485 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -0.876 7.378 1.929 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -2.209 8.287 1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -1.234 7.167 0.198 1.00 0.00 H new ATOM 1704 N ALA A 124 1.348 7.347 -0.070 1.00 0.00 N ATOM 1705 CA ALA A 124 2.636 6.656 -0.160 1.00 0.00 C ATOM 1706 C ALA A 124 3.671 7.459 -0.925 1.00 0.00 C ATOM 1707 O ALA A 124 4.706 7.832 -0.377 1.00 0.00 O ATOM 1708 CB ALA A 124 2.439 5.295 -0.810 1.00 0.00 C ATOM 0 H ALA A 124 0.591 6.874 -0.563 1.00 0.00 H new ATOM 0 HA ALA A 124 3.017 6.532 0.854 1.00 0.00 H new ATOM 0 HB1 ALA A 124 3.398 4.781 -0.877 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.750 4.701 -0.209 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.027 5.426 -1.811 1.00 0.00 H new ATOM 1714 N GLN A 125 3.380 7.735 -2.176 1.00 0.00 N ATOM 1715 CA GLN A 125 4.292 8.455 -3.039 1.00 0.00 C ATOM 1716 C GLN A 125 4.403 9.911 -2.583 1.00 0.00 C ATOM 1717 O GLN A 125 5.456 10.537 -2.692 1.00 0.00 O ATOM 1718 CB GLN A 125 3.776 8.386 -4.488 1.00 0.00 C ATOM 1719 CG GLN A 125 4.861 8.335 -5.564 1.00 0.00 C ATOM 1720 CD GLN A 125 5.705 9.587 -5.634 1.00 0.00 C ATOM 1721 OE1 GLN A 125 6.747 9.687 -4.986 1.00 0.00 O ATOM 1722 NE2 GLN A 125 5.266 10.543 -6.422 1.00 0.00 N ATOM 0 H GLN A 125 2.504 7.467 -2.625 1.00 0.00 H new ATOM 0 HA GLN A 125 5.282 8.001 -2.987 1.00 0.00 H new ATOM 0 HB2 GLN A 125 3.144 7.504 -4.590 1.00 0.00 H new ATOM 0 HB3 GLN A 125 3.144 9.254 -4.673 1.00 0.00 H new ATOM 0 HG2 GLN A 125 5.510 7.480 -5.373 1.00 0.00 H new ATOM 0 HG3 GLN A 125 4.392 8.169 -6.534 1.00 0.00 H new ATOM 0 HE21 GLN A 125 4.397 10.417 -6.941 1.00 0.00 H new ATOM 0 HE22 GLN A 125 5.795 11.410 -6.515 1.00 0.00 H new ATOM 1731 N GLY A 126 3.318 10.420 -2.041 1.00 0.00 N ATOM 1732 CA GLY A 126 3.263 11.804 -1.642 1.00 0.00 C ATOM 1733 C GLY A 126 4.025 12.122 -0.372 1.00 0.00 C ATOM 1734 O GLY A 126 5.021 12.845 -0.409 1.00 0.00 O ATOM 0 H GLY A 126 2.462 9.893 -1.867 1.00 0.00 H new ATOM 0 HA2 GLY A 126 3.658 12.418 -2.451 1.00 0.00 H new ATOM 0 HA3 GLY A 126 2.220 12.089 -1.506 1.00 0.00 H new ATOM 1738 N LEU A 127 3.591 11.571 0.750 1.00 0.00 N ATOM 1739 CA LEU A 127 4.169 11.958 2.029 1.00 0.00 C ATOM 1740 C LEU A 127 4.909 10.816 2.707 1.00 0.00 C ATOM 1741 O LEU A 127 5.545 11.019 3.738 1.00 0.00 O ATOM 1742 CB LEU A 127 3.074 12.491 2.959 1.00 0.00 C ATOM 1743 CG LEU A 127 2.243 13.666 2.421 1.00 0.00 C ATOM 1744 CD1 LEU A 127 1.210 14.107 3.452 1.00 0.00 C ATOM 1745 CD2 LEU A 127 3.141 14.834 2.031 1.00 0.00 C ATOM 0 H LEU A 127 2.855 10.867 0.804 1.00 0.00 H new ATOM 0 HA LEU A 127 4.900 12.741 1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 127 2.396 11.671 3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 127 3.539 12.800 3.895 1.00 0.00 H new ATOM 0 HG LEU A 127 1.718 13.329 1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 127 0.631 14.940 3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 127 0.542 13.275 3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 127 1.717 14.421 4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 127 2.529 15.653 1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 127 3.699 15.171 2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 127 3.838 14.514 1.256 1.00 0.00 H new ATOM 1757 N GLY A 128 4.840 9.629 2.131 1.00 0.00 N ATOM 1758 CA GLY A 128 5.487 8.481 2.743 1.00 0.00 C ATOM 1759 C GLY A 128 4.734 8.016 3.975 1.00 0.00 C ATOM 1760 O GLY A 128 4.787 8.652 5.022 1.00 0.00 O ATOM 0 H GLY A 128 4.352 9.435 1.256 1.00 0.00 H new ATOM 0 HA2 GLY A 128 5.546 7.666 2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 128 6.510 8.740 3.016 1.00 0.00 H new ATOM 1764 N ILE A 129 4.027 6.922 3.846 1.00 0.00 N ATOM 1765 CA ILE A 129 3.205 6.416 4.936 1.00 0.00 C ATOM 1766 C ILE A 129 4.024 5.701 6.011 1.00 0.00 C ATOM 1767 O ILE A 129 4.893 4.885 5.709 1.00 0.00 O ATOM 1768 CB ILE A 129 2.138 5.439 4.427 1.00 0.00 C ATOM 1769 CG1 ILE A 129 1.400 6.021 3.228 1.00 0.00 C ATOM 1770 CG2 ILE A 129 1.161 5.133 5.546 1.00 0.00 C ATOM 1771 CD1 ILE A 129 0.534 5.015 2.501 1.00 0.00 C ATOM 0 H ILE A 129 3.999 6.357 2.997 1.00 0.00 H new ATOM 0 HA ILE A 129 2.735 7.296 5.375 1.00 0.00 H new ATOM 0 HB ILE A 129 2.626 4.518 4.108 1.00 0.00 H new ATOM 0 HG12 ILE A 129 0.776 6.849 3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 129 2.128 6.433 2.529 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.402 4.439 5.186 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.696 4.684 6.383 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.683 6.056 5.874 1.00 0.00 H new ATOM 0 HD11 ILE A 129 0.040 5.501 1.660 1.00 0.00 H new ATOM 0 HD12 ILE A 129 1.155 4.198 2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -0.218 4.621 3.185 1.00 0.00 H new ATOM 1783 N ASN A 130 3.725 6.011 7.264 1.00 0.00 N ATOM 1784 CA ASN A 130 4.348 5.348 8.398 1.00 0.00 C ATOM 1785 C ASN A 130 3.282 4.835 9.353 1.00 0.00 C ATOM 1786 O ASN A 130 2.524 5.614 9.924 1.00 0.00 O ATOM 1787 CB ASN A 130 5.309 6.289 9.139 1.00 0.00 C ATOM 1788 CG ASN A 130 6.651 6.430 8.450 1.00 0.00 C ATOM 1789 OD1 ASN A 130 7.587 5.676 8.733 1.00 0.00 O ATOM 1790 ND2 ASN A 130 6.761 7.392 7.553 1.00 0.00 N ATOM 0 H ASN A 130 3.046 6.727 7.522 1.00 0.00 H new ATOM 0 HA ASN A 130 4.927 4.507 8.018 1.00 0.00 H new ATOM 0 HB2 ASN A 130 4.848 7.273 9.229 1.00 0.00 H new ATOM 0 HB3 ASN A 130 5.464 5.916 10.152 1.00 0.00 H new ATOM 0 HD21 ASN A 130 7.645 7.534 7.064 1.00 0.00 H new ATOM 0 HD22 ASN A 130 5.962 7.993 7.349 1.00 0.00 H new ATOM 1797 N VAL A 131 3.211 3.522 9.503 1.00 0.00 N ATOM 1798 CA VAL A 131 2.237 2.907 10.394 1.00 0.00 C ATOM 1799 C VAL A 131 2.763 2.923 11.835 1.00 0.00 C ATOM 1800 O VAL A 131 3.949 3.173 12.065 1.00 0.00 O ATOM 1801 CB VAL A 131 1.914 1.445 9.953 1.00 0.00 C ATOM 1802 CG1 VAL A 131 0.723 0.875 10.719 1.00 0.00 C ATOM 1803 CG2 VAL A 131 1.651 1.388 8.463 1.00 0.00 C ATOM 0 H VAL A 131 3.817 2.860 9.019 1.00 0.00 H new ATOM 0 HA VAL A 131 1.314 3.485 10.342 1.00 0.00 H new ATOM 0 HB VAL A 131 2.785 0.832 10.186 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.529 -0.144 10.384 1.00 0.00 H new ATOM 0 HG12 VAL A 131 0.945 0.870 11.786 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.157 1.491 10.534 1.00 0.00 H new ATOM 0 HG21 VAL A 131 1.427 0.362 8.172 1.00 0.00 H new ATOM 0 HG22 VAL A 131 0.803 2.027 8.219 1.00 0.00 H new ATOM 0 HG23 VAL A 131 2.533 1.734 7.924 1.00 0.00 H new ATOM 1813 N ASP A 132 1.879 2.652 12.787 1.00 0.00 N ATOM 1814 CA ASP A 132 2.220 2.647 14.206 1.00 0.00 C ATOM 1815 C ASP A 132 3.326 1.626 14.509 1.00 0.00 C ATOM 1816 O ASP A 132 3.534 0.661 13.753 1.00 0.00 O ATOM 1817 CB ASP A 132 0.966 2.335 15.034 1.00 0.00 C ATOM 1818 CG ASP A 132 1.193 2.446 16.526 1.00 0.00 C ATOM 1819 OD1 ASP A 132 1.009 3.551 17.074 1.00 0.00 O ATOM 1820 OD2 ASP A 132 1.563 1.438 17.149 1.00 0.00 O ATOM 0 H ASP A 132 0.902 2.429 12.597 1.00 0.00 H new ATOM 0 HA ASP A 132 2.597 3.634 14.475 1.00 0.00 H new ATOM 0 HB2 ASP A 132 0.167 3.017 14.743 1.00 0.00 H new ATOM 0 HB3 ASP A 132 0.625 1.327 14.799 1.00 0.00 H new ATOM 1825 N SER A 133 4.016 1.835 15.619 1.00 0.00 N ATOM 1826 CA SER A 133 5.129 0.989 16.016 1.00 0.00 C ATOM 1827 C SER A 133 4.665 -0.313 16.671 1.00 0.00 C ATOM 1828 O SER A 133 5.447 -0.982 17.344 1.00 0.00 O ATOM 1829 CB SER A 133 6.042 1.754 16.962 1.00 0.00 C ATOM 1830 OG SER A 133 6.487 2.962 16.366 1.00 0.00 O ATOM 0 H SER A 133 3.820 2.596 16.270 1.00 0.00 H new ATOM 0 HA SER A 133 5.674 0.717 15.112 1.00 0.00 H new ATOM 0 HB2 SER A 133 5.511 1.974 17.888 1.00 0.00 H new ATOM 0 HB3 SER A 133 6.900 1.136 17.226 1.00 0.00 H new ATOM 0 HG SER A 133 7.071 3.439 16.991 1.00 0.00 H new ATOM 1836 N GLY A 134 3.400 -0.658 16.484 1.00 0.00 N ATOM 1837 CA GLY A 134 2.889 -1.902 17.006 1.00 0.00 C ATOM 1838 C GLY A 134 3.587 -3.104 16.393 1.00 0.00 C ATOM 1839 O GLY A 134 4.579 -3.592 16.926 1.00 0.00 O ATOM 0 H GLY A 134 2.718 -0.094 15.977 1.00 0.00 H new ATOM 0 HA2 GLY A 134 3.017 -1.921 18.088 1.00 0.00 H new ATOM 0 HA3 GLY A 134 1.819 -1.965 16.810 1.00 0.00 H new ATOM 1843 N SER A 135 3.074 -3.581 15.281 1.00 0.00 N ATOM 1844 CA SER A 135 3.664 -4.725 14.611 1.00 0.00 C ATOM 1845 C SER A 135 4.410 -4.335 13.321 1.00 0.00 C ATOM 1846 O SER A 135 5.396 -4.977 12.950 1.00 0.00 O ATOM 1847 CB SER A 135 2.582 -5.762 14.315 1.00 0.00 C ATOM 1848 OG SER A 135 1.411 -5.140 13.800 1.00 0.00 O ATOM 0 H SER A 135 2.250 -3.197 14.819 1.00 0.00 H new ATOM 0 HA SER A 135 4.408 -5.153 15.283 1.00 0.00 H new ATOM 0 HB2 SER A 135 2.958 -6.491 13.597 1.00 0.00 H new ATOM 0 HB3 SER A 135 2.338 -6.309 15.226 1.00 0.00 H new ATOM 0 HG SER A 135 0.732 -5.822 13.616 1.00 0.00 H new ATOM 1854 N VAL A 136 3.953 -3.273 12.661 1.00 0.00 N ATOM 1855 CA VAL A 136 4.504 -2.885 11.361 1.00 0.00 C ATOM 1856 C VAL A 136 5.897 -2.259 11.452 1.00 0.00 C ATOM 1857 O VAL A 136 6.868 -2.832 10.954 1.00 0.00 O ATOM 1858 CB VAL A 136 3.560 -1.915 10.611 1.00 0.00 C ATOM 1859 CG1 VAL A 136 4.102 -1.602 9.221 1.00 0.00 C ATOM 1860 CG2 VAL A 136 2.161 -2.502 10.524 1.00 0.00 C ATOM 0 H VAL A 136 3.206 -2.667 13.001 1.00 0.00 H new ATOM 0 HA VAL A 136 4.596 -3.816 10.802 1.00 0.00 H new ATOM 0 HB VAL A 136 3.508 -0.981 11.171 1.00 0.00 H new ATOM 0 HG11 VAL A 136 3.423 -0.919 8.711 1.00 0.00 H new ATOM 0 HG12 VAL A 136 5.085 -1.139 9.309 1.00 0.00 H new ATOM 0 HG13 VAL A 136 4.186 -2.525 8.647 1.00 0.00 H new ATOM 0 HG21 VAL A 136 1.508 -1.809 9.994 1.00 0.00 H new ATOM 0 HG22 VAL A 136 2.197 -3.450 9.987 1.00 0.00 H new ATOM 0 HG23 VAL A 136 1.773 -2.669 11.529 1.00 0.00 H new ATOM 1870 N GLN A 137 5.999 -1.102 12.108 1.00 0.00 N ATOM 1871 CA GLN A 137 7.258 -0.358 12.145 1.00 0.00 C ATOM 1872 C GLN A 137 8.392 -1.175 12.759 1.00 0.00 C ATOM 1873 O GLN A 137 9.512 -1.165 12.256 1.00 0.00 O ATOM 1874 CB GLN A 137 7.095 0.950 12.907 1.00 0.00 C ATOM 1875 CG GLN A 137 8.123 2.003 12.521 1.00 0.00 C ATOM 1876 CD GLN A 137 7.857 2.628 11.156 1.00 0.00 C ATOM 1877 OE1 GLN A 137 8.783 2.981 10.433 1.00 0.00 O ATOM 1878 NE2 GLN A 137 6.591 2.806 10.812 1.00 0.00 N ATOM 0 H GLN A 137 5.232 -0.663 12.617 1.00 0.00 H new ATOM 0 HA GLN A 137 7.523 -0.140 11.110 1.00 0.00 H new ATOM 0 HB2 GLN A 137 6.095 1.345 12.727 1.00 0.00 H new ATOM 0 HB3 GLN A 137 7.172 0.752 13.976 1.00 0.00 H new ATOM 0 HG2 GLN A 137 8.132 2.788 13.277 1.00 0.00 H new ATOM 0 HG3 GLN A 137 9.115 1.550 12.520 1.00 0.00 H new ATOM 0 HE21 GLN A 137 5.845 2.501 11.437 1.00 0.00 H new ATOM 0 HE22 GLN A 137 6.362 3.249 9.922 1.00 0.00 H new ATOM 1887 N SER A 138 8.091 -1.888 13.829 1.00 0.00 N ATOM 1888 CA SER A 138 9.087 -2.681 14.539 1.00 0.00 C ATOM 1889 C SER A 138 9.756 -3.708 13.624 1.00 0.00 C ATOM 1890 O SER A 138 10.989 -3.846 13.616 1.00 0.00 O ATOM 1891 CB SER A 138 8.432 -3.381 15.722 1.00 0.00 C ATOM 1892 OG SER A 138 7.675 -2.460 16.488 1.00 0.00 O ATOM 0 H SER A 138 7.155 -1.936 14.232 1.00 0.00 H new ATOM 0 HA SER A 138 9.865 -2.005 14.894 1.00 0.00 H new ATOM 0 HB2 SER A 138 7.786 -4.183 15.365 1.00 0.00 H new ATOM 0 HB3 SER A 138 9.196 -3.842 16.348 1.00 0.00 H new ATOM 0 HG SER A 138 6.740 -2.480 16.194 1.00 0.00 H new ATOM 1898 N ASP A 139 8.953 -4.411 12.839 1.00 0.00 N ATOM 1899 CA ASP A 139 9.487 -5.439 11.965 1.00 0.00 C ATOM 1900 C ASP A 139 10.193 -4.836 10.766 1.00 0.00 C ATOM 1901 O ASP A 139 11.351 -5.150 10.506 1.00 0.00 O ATOM 1902 CB ASP A 139 8.398 -6.400 11.491 1.00 0.00 C ATOM 1903 CG ASP A 139 8.976 -7.551 10.688 1.00 0.00 C ATOM 1904 OD1 ASP A 139 9.336 -7.343 9.512 1.00 0.00 O ATOM 1905 OD2 ASP A 139 9.080 -8.667 11.234 1.00 0.00 O ATOM 0 H ASP A 139 7.941 -4.289 12.790 1.00 0.00 H new ATOM 0 HA ASP A 139 10.212 -6.001 12.553 1.00 0.00 H new ATOM 0 HB2 ASP A 139 7.858 -6.792 12.353 1.00 0.00 H new ATOM 0 HB3 ASP A 139 7.675 -5.858 10.882 1.00 0.00 H new ATOM 1910 N ILE A 140 9.502 -3.948 10.048 1.00 0.00 N ATOM 1911 CA ILE A 140 10.052 -3.361 8.823 1.00 0.00 C ATOM 1912 C ILE A 140 11.405 -2.684 9.063 1.00 0.00 C ATOM 1913 O ILE A 140 12.309 -2.797 8.241 1.00 0.00 O ATOM 1914 CB ILE A 140 9.080 -2.356 8.147 1.00 0.00 C ATOM 1915 CG1 ILE A 140 8.802 -1.162 9.062 1.00 0.00 C ATOM 1916 CG2 ILE A 140 7.781 -3.055 7.763 1.00 0.00 C ATOM 1917 CD1 ILE A 140 7.989 -0.065 8.410 1.00 0.00 C ATOM 0 H ILE A 140 8.567 -3.621 10.291 1.00 0.00 H new ATOM 0 HA ILE A 140 10.196 -4.201 8.143 1.00 0.00 H new ATOM 0 HB ILE A 140 9.553 -1.979 7.240 1.00 0.00 H new ATOM 0 HG12 ILE A 140 8.275 -1.512 9.950 1.00 0.00 H new ATOM 0 HG13 ILE A 140 9.752 -0.746 9.398 1.00 0.00 H new ATOM 0 HG21 ILE A 140 7.109 -2.339 7.290 1.00 0.00 H new ATOM 0 HG22 ILE A 140 7.996 -3.866 7.067 1.00 0.00 H new ATOM 0 HG23 ILE A 140 7.308 -3.461 8.657 1.00 0.00 H new ATOM 0 HD11 ILE A 140 7.834 0.746 9.122 1.00 0.00 H new ATOM 0 HD12 ILE A 140 8.523 0.315 7.539 1.00 0.00 H new ATOM 0 HD13 ILE A 140 7.023 -0.464 8.099 1.00 0.00 H new ATOM 1929 N SER A 141 11.543 -2.010 10.203 1.00 0.00 N ATOM 1930 CA SER A 141 12.785 -1.322 10.538 1.00 0.00 C ATOM 1931 C SER A 141 13.944 -2.312 10.672 1.00 0.00 C ATOM 1932 O SER A 141 15.074 -2.012 10.302 1.00 0.00 O ATOM 1933 CB SER A 141 12.619 -0.527 11.834 1.00 0.00 C ATOM 1934 OG SER A 141 11.548 0.398 11.725 1.00 0.00 O ATOM 0 H SER A 141 10.811 -1.926 10.908 1.00 0.00 H new ATOM 0 HA SER A 141 13.018 -0.633 9.726 1.00 0.00 H new ATOM 0 HB2 SER A 141 12.433 -1.210 12.663 1.00 0.00 H new ATOM 0 HB3 SER A 141 13.543 0.005 12.060 1.00 0.00 H new ATOM 0 HG SER A 141 10.746 0.020 12.142 1.00 0.00 H new ATOM 1940 N SER A 142 13.649 -3.496 11.184 1.00 0.00 N ATOM 1941 CA SER A 142 14.664 -4.517 11.385 1.00 0.00 C ATOM 1942 C SER A 142 14.890 -5.330 10.100 1.00 0.00 C ATOM 1943 O SER A 142 16.020 -5.689 9.760 1.00 0.00 O ATOM 1944 CB SER A 142 14.240 -5.442 12.529 1.00 0.00 C ATOM 1945 OG SER A 142 13.881 -4.690 13.688 1.00 0.00 O ATOM 0 H SER A 142 12.710 -3.774 11.469 1.00 0.00 H new ATOM 0 HA SER A 142 15.604 -4.028 11.643 1.00 0.00 H new ATOM 0 HB2 SER A 142 13.396 -6.054 12.212 1.00 0.00 H new ATOM 0 HB3 SER A 142 15.055 -6.124 12.771 1.00 0.00 H new ATOM 0 HG SER A 142 12.933 -4.445 13.638 1.00 0.00 H new ATOM 1951 N SER A 143 13.813 -5.598 9.391 1.00 0.00 N ATOM 1952 CA SER A 143 13.867 -6.392 8.181 1.00 0.00 C ATOM 1953 C SER A 143 14.515 -5.635 7.015 1.00 0.00 C ATOM 1954 O SER A 143 15.306 -6.201 6.270 1.00 0.00 O ATOM 1955 CB SER A 143 12.461 -6.854 7.812 1.00 0.00 C ATOM 1956 OG SER A 143 11.896 -7.612 8.866 1.00 0.00 O ATOM 0 H SER A 143 12.878 -5.273 9.636 1.00 0.00 H new ATOM 0 HA SER A 143 14.497 -7.260 8.377 1.00 0.00 H new ATOM 0 HB2 SER A 143 11.832 -5.990 7.600 1.00 0.00 H new ATOM 0 HB3 SER A 143 12.496 -7.454 6.903 1.00 0.00 H new ATOM 0 HG SER A 143 10.993 -7.283 9.058 1.00 0.00 H new ATOM 1962 N SER A 144 14.198 -4.356 6.878 1.00 0.00 N ATOM 1963 CA SER A 144 14.726 -3.557 5.777 1.00 0.00 C ATOM 1964 C SER A 144 16.210 -3.232 5.969 1.00 0.00 C ATOM 1965 O SER A 144 16.910 -2.912 5.010 1.00 0.00 O ATOM 1966 CB SER A 144 13.917 -2.264 5.611 1.00 0.00 C ATOM 1967 OG SER A 144 14.382 -1.498 4.509 1.00 0.00 O ATOM 0 H SER A 144 13.580 -3.849 7.512 1.00 0.00 H new ATOM 0 HA SER A 144 14.632 -4.154 4.870 1.00 0.00 H new ATOM 0 HB2 SER A 144 12.864 -2.508 5.468 1.00 0.00 H new ATOM 0 HB3 SER A 144 13.986 -1.671 6.523 1.00 0.00 H new ATOM 0 HG SER A 144 13.846 -0.682 4.429 1.00 0.00 H new