USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 598 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: B 6 CYS SG : rot -159:sc= -0.813 USER MOD Set 1.2: B 9 THR OG1 : rot 180:sc= 0.2 USER MOD Set 2.1: B 4 MET CE :methyl -174:sc= 0 (180deg=-0.0323) USER MOD Set 2.2: B 16 ASN : amide:sc= -0.0885 X(o=-0.089,f=-0.2) USER MOD Set 3.1: A 28 LYS NZ :NH3+ -161:sc= 1.08 (180deg=0) USER MOD Set 3.2: B 43 GLN : amide:sc= 0.925 K(o=2,f=-6.7!) USER MOD Set 4.1: A 6 CYS SG : rot 171:sc= 0.117 USER MOD Set 4.2: A 9 THR OG1 : rot -55:sc= 0.781 USER MOD Single : A 4 MET CE :methyl 178:sc= 0 (180deg=-0.0135) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.0651 X(o=-0.065,f=-0.065) USER MOD Single : A 13 SER OG : rot 140:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.569 K(o=0.57,f=-1.1) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.161 USER MOD Single : A 33 GLN : amide:sc= 0.819 K(o=0.82,f=-0.21) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.132 K(o=0.13,f=-0.44) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0 USER MOD Single : B 7 GLN : amide:sc= 0.594 K(o=0.59,f=-0.015) USER MOD Single : B 13 SER OG : rot 180:sc= 0.251 USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 SER OG : rot 180:sc= 0.188 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 GLN : amide:sc= -0.0943 X(o=-0.094,f=-0.24) USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 39 GLN : amide:sc= 0.933 K(o=0.93,f=-0.15) USER MOD Single : B 40 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : B 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 45 N MET A 4 0.651 17.070 -8.874 1.00 0.00 N ATOM 46 CA MET A 4 0.399 15.750 -8.285 1.00 0.00 C ATOM 47 C MET A 4 1.164 15.612 -6.964 1.00 0.00 C ATOM 48 O MET A 4 2.316 15.178 -6.916 1.00 0.00 O ATOM 49 CB MET A 4 0.713 14.632 -9.287 1.00 0.00 C ATOM 50 CG MET A 4 -0.520 14.258 -10.119 1.00 0.00 C ATOM 51 SD MET A 4 -1.245 15.555 -11.169 1.00 0.00 S ATOM 52 CE MET A 4 0.082 15.796 -12.382 1.00 0.00 C ATOM 0 HA MET A 4 -0.661 15.652 -8.051 1.00 0.00 H new ATOM 0 HB2 MET A 4 1.517 14.952 -9.950 1.00 0.00 H new ATOM 0 HB3 MET A 4 1.072 13.753 -8.752 1.00 0.00 H new ATOM 0 HG2 MET A 4 -0.252 13.417 -10.759 1.00 0.00 H new ATOM 0 HG3 MET A 4 -1.293 13.906 -9.436 1.00 0.00 H new ATOM 0 HE1 MET A 4 -0.228 16.538 -13.118 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.981 16.143 -11.873 1.00 0.00 H new ATOM 0 HE3 MET A 4 0.291 14.852 -12.885 1.00 0.00 H new ATOM 62 N THR A 5 0.497 16.031 -5.893 1.00 0.00 N ATOM 63 CA THR A 5 1.038 16.179 -4.532 1.00 0.00 C ATOM 64 C THR A 5 0.423 15.191 -3.554 1.00 0.00 C ATOM 65 O THR A 5 -0.748 14.821 -3.671 1.00 0.00 O ATOM 66 CB THR A 5 0.891 17.626 -4.022 1.00 0.00 C ATOM 67 OG1 THR A 5 1.434 17.745 -2.727 1.00 0.00 O ATOM 68 CG2 THR A 5 -0.556 18.127 -3.960 1.00 0.00 C ATOM 0 H THR A 5 -0.488 16.292 -5.946 1.00 0.00 H new ATOM 0 HA THR A 5 2.102 15.948 -4.593 1.00 0.00 H new ATOM 0 HB THR A 5 1.427 18.236 -4.749 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.336 18.669 -2.415 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.570 19.153 -3.591 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.996 18.094 -4.957 1.00 0.00 H new ATOM 0 HG23 THR A 5 -1.133 17.492 -3.288 1.00 0.00 H new ATOM 76 N CYS A 6 1.220 14.774 -2.573 1.00 0.00 N ATOM 77 CA CYS A 6 0.767 13.906 -1.492 1.00 0.00 C ATOM 78 C CYS A 6 -0.290 14.591 -0.610 1.00 0.00 C ATOM 79 O CYS A 6 0.018 15.578 0.051 1.00 0.00 O ATOM 80 CB CYS A 6 1.968 13.428 -0.668 1.00 0.00 C ATOM 81 SG CYS A 6 1.396 12.205 0.537 1.00 0.00 S ATOM 0 H CYS A 6 2.205 15.031 -2.507 1.00 0.00 H new ATOM 0 HA CYS A 6 0.281 13.036 -1.934 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.724 12.991 -1.320 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.436 14.270 -0.158 1.00 0.00 H new ATOM 0 HG CYS A 6 2.421 11.649 1.111 1.00 0.00 H new ATOM 87 N GLN A 7 -1.511 14.051 -0.501 1.00 0.00 N ATOM 88 CA GLN A 7 -2.507 14.622 0.429 1.00 0.00 C ATOM 89 C GLN A 7 -2.194 14.322 1.918 1.00 0.00 C ATOM 90 O GLN A 7 -2.645 15.049 2.805 1.00 0.00 O ATOM 91 CB GLN A 7 -3.926 14.201 0.003 1.00 0.00 C ATOM 92 CG GLN A 7 -5.009 14.987 0.770 1.00 0.00 C ATOM 93 CD GLN A 7 -6.423 14.726 0.260 1.00 0.00 C ATOM 94 OE1 GLN A 7 -6.953 15.440 -0.581 1.00 0.00 O ATOM 95 NE2 GLN A 7 -7.094 13.703 0.749 1.00 0.00 N ATOM 0 H GLN A 7 -1.832 13.240 -1.029 1.00 0.00 H new ATOM 0 HA GLN A 7 -2.449 15.708 0.360 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -4.048 14.364 -1.068 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -4.057 13.133 0.180 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -4.958 14.725 1.827 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -4.795 16.053 0.695 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -6.664 13.100 1.450 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -8.043 13.514 0.426 1.00 0.00 H new ATOM 104 N VAL A 8 -1.389 13.290 2.207 1.00 0.00 N ATOM 105 CA VAL A 8 -1.057 12.835 3.579 1.00 0.00 C ATOM 106 C VAL A 8 0.226 13.482 4.141 1.00 0.00 C ATOM 107 O VAL A 8 0.385 13.576 5.358 1.00 0.00 O ATOM 108 CB VAL A 8 -0.991 11.291 3.607 1.00 0.00 C ATOM 109 CG1 VAL A 8 -0.644 10.700 4.979 1.00 0.00 C ATOM 110 CG2 VAL A 8 -2.344 10.688 3.195 1.00 0.00 C ATOM 0 H VAL A 8 -0.937 12.731 1.483 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.854 13.169 4.244 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.193 11.037 2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.618 9.612 4.911 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.332 11.067 5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.399 11.000 5.706 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.280 9.600 3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.117 11.022 3.887 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.595 11.014 2.186 1.00 0.00 H new ATOM 120 N THR A 9 1.124 13.964 3.272 1.00 0.00 N ATOM 121 CA THR A 9 2.433 14.550 3.658 1.00 0.00 C ATOM 122 C THR A 9 2.717 15.899 2.998 1.00 0.00 C ATOM 123 O THR A 9 3.366 16.760 3.595 1.00 0.00 O ATOM 124 CB THR A 9 3.606 13.599 3.361 1.00 0.00 C ATOM 125 OG1 THR A 9 3.835 13.501 1.971 1.00 0.00 O ATOM 126 CG2 THR A 9 3.370 12.182 3.880 1.00 0.00 C ATOM 0 H THR A 9 0.968 13.962 2.264 1.00 0.00 H new ATOM 0 HA THR A 9 2.352 14.708 4.733 1.00 0.00 H new ATOM 0 HB THR A 9 4.465 14.031 3.875 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.009 13.225 1.522 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.231 11.559 3.640 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.231 12.209 4.961 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.479 11.766 3.410 1.00 0.00 H new ATOM 134 N GLY A 10 2.214 16.092 1.776 1.00 0.00 N ATOM 135 CA GLY A 10 2.417 17.309 0.972 1.00 0.00 C ATOM 136 C GLY A 10 3.604 17.227 0.006 1.00 0.00 C ATOM 137 O GLY A 10 3.923 18.207 -0.670 1.00 0.00 O ATOM 0 H GLY A 10 1.641 15.393 1.304 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.510 17.510 0.401 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.566 18.155 1.643 1.00 0.00 H new ATOM 141 N GLU A 11 4.277 16.075 -0.063 1.00 0.00 N ATOM 142 CA GLU A 11 5.396 15.824 -0.974 1.00 0.00 C ATOM 143 C GLU A 11 4.927 15.491 -2.402 1.00 0.00 C ATOM 144 O GLU A 11 3.957 14.771 -2.607 1.00 0.00 O ATOM 145 CB GLU A 11 6.273 14.697 -0.414 1.00 0.00 C ATOM 146 CG GLU A 11 7.009 15.106 0.866 1.00 0.00 C ATOM 147 CD GLU A 11 8.058 14.048 1.256 1.00 0.00 C ATOM 148 OE1 GLU A 11 7.675 12.887 1.533 1.00 0.00 O ATOM 149 OE2 GLU A 11 9.270 14.377 1.283 1.00 0.00 O ATOM 0 H GLU A 11 4.053 15.273 0.527 1.00 0.00 H new ATOM 0 HA GLU A 11 5.981 16.741 -1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.651 13.825 -0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.001 14.399 -1.168 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.496 16.070 0.719 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.293 15.231 1.678 1.00 0.00 H new ATOM 156 N VAL A 12 5.649 15.981 -3.404 1.00 0.00 N ATOM 157 CA VAL A 12 5.418 15.716 -4.835 1.00 0.00 C ATOM 158 C VAL A 12 6.573 14.871 -5.386 1.00 0.00 C ATOM 159 O VAL A 12 7.739 15.254 -5.253 1.00 0.00 O ATOM 160 CB VAL A 12 5.306 17.064 -5.571 1.00 0.00 C ATOM 161 CG1 VAL A 12 5.499 16.992 -7.094 1.00 0.00 C ATOM 162 CG2 VAL A 12 4.004 17.813 -5.308 1.00 0.00 C ATOM 0 H VAL A 12 6.445 16.599 -3.244 1.00 0.00 H new ATOM 0 HA VAL A 12 4.493 15.159 -4.983 1.00 0.00 H new ATOM 0 HB VAL A 12 6.141 17.613 -5.137 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.402 17.990 -7.521 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.490 16.597 -7.317 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.742 16.338 -7.526 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.005 18.751 -5.863 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.161 17.202 -5.630 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.914 18.022 -4.242 1.00 0.00 H new ATOM 172 N SER A 13 6.259 13.752 -6.043 1.00 0.00 N ATOM 173 CA SER A 13 7.187 12.975 -6.875 1.00 0.00 C ATOM 174 C SER A 13 6.715 12.905 -8.332 1.00 0.00 C ATOM 175 O SER A 13 5.515 12.891 -8.616 1.00 0.00 O ATOM 176 CB SER A 13 7.364 11.565 -6.304 1.00 0.00 C ATOM 177 OG SER A 13 6.118 10.889 -6.230 1.00 0.00 O ATOM 0 H SER A 13 5.323 13.347 -6.011 1.00 0.00 H new ATOM 0 HA SER A 13 8.150 13.486 -6.862 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.053 10.998 -6.930 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.810 11.624 -5.311 1.00 0.00 H new ATOM 0 HG SER A 13 6.237 9.953 -6.495 1.00 0.00 H new ATOM 183 N ASP A 14 7.659 12.808 -9.273 1.00 0.00 N ATOM 184 CA ASP A 14 7.363 12.547 -10.693 1.00 0.00 C ATOM 185 C ASP A 14 6.678 11.178 -10.878 1.00 0.00 C ATOM 186 O ASP A 14 5.800 10.996 -11.722 1.00 0.00 O ATOM 187 CB ASP A 14 8.657 12.587 -11.531 1.00 0.00 C ATOM 188 CG ASP A 14 9.660 13.663 -11.087 1.00 0.00 C ATOM 189 OD1 ASP A 14 10.458 13.375 -10.160 1.00 0.00 O ATOM 190 OD2 ASP A 14 9.656 14.780 -11.657 1.00 0.00 O ATOM 0 H ASP A 14 8.655 12.908 -9.075 1.00 0.00 H new ATOM 0 HA ASP A 14 6.684 13.328 -11.035 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.141 11.612 -11.479 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.396 12.758 -12.575 1.00 0.00 H new ATOM 195 N ASP A 15 7.060 10.222 -10.033 1.00 0.00 N ATOM 196 CA ASP A 15 6.661 8.813 -10.049 1.00 0.00 C ATOM 197 C ASP A 15 5.280 8.557 -9.414 1.00 0.00 C ATOM 198 O ASP A 15 4.742 7.460 -9.560 1.00 0.00 O ATOM 199 CB ASP A 15 7.748 7.993 -9.335 1.00 0.00 C ATOM 200 CG ASP A 15 9.169 8.490 -9.652 1.00 0.00 C ATOM 201 OD1 ASP A 15 9.618 9.450 -8.979 1.00 0.00 O ATOM 202 OD2 ASP A 15 9.801 7.971 -10.601 1.00 0.00 O ATOM 0 H ASP A 15 7.701 10.424 -9.266 1.00 0.00 H new ATOM 0 HA ASP A 15 6.563 8.505 -11.090 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.583 8.038 -8.258 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.659 6.947 -9.628 1.00 0.00 H new ATOM 207 N ASN A 16 4.724 9.572 -8.735 1.00 0.00 N ATOM 208 CA ASN A 16 3.371 9.681 -8.179 1.00 0.00 C ATOM 209 C ASN A 16 2.738 8.351 -7.705 1.00 0.00 C ATOM 210 O ASN A 16 1.978 7.706 -8.433 1.00 0.00 O ATOM 211 CB ASN A 16 2.478 10.529 -9.118 1.00 0.00 C ATOM 212 CG ASN A 16 2.169 9.935 -10.489 1.00 0.00 C ATOM 213 OD1 ASN A 16 1.056 9.510 -10.768 1.00 0.00 O ATOM 214 ND2 ASN A 16 3.096 9.938 -11.422 1.00 0.00 N ATOM 0 H ASN A 16 5.264 10.416 -8.545 1.00 0.00 H new ATOM 0 HA ASN A 16 3.459 10.218 -7.235 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.533 10.720 -8.609 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.961 11.495 -9.266 1.00 0.00 H new ATOM 0 HD21 ASN A 16 2.880 9.591 -12.356 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.031 10.288 -11.211 1.00 0.00 H new ATOM 221 N LEU A 17 3.025 7.954 -6.459 1.00 0.00 N ATOM 222 CA LEU A 17 2.433 6.786 -5.798 1.00 0.00 C ATOM 223 C LEU A 17 0.941 7.037 -5.530 1.00 0.00 C ATOM 224 O LEU A 17 0.498 8.185 -5.494 1.00 0.00 O ATOM 225 CB LEU A 17 3.210 6.457 -4.498 1.00 0.00 C ATOM 226 CG LEU A 17 4.735 6.360 -4.676 1.00 0.00 C ATOM 227 CD1 LEU A 17 5.418 6.012 -3.356 1.00 0.00 C ATOM 228 CD2 LEU A 17 5.099 5.338 -5.747 1.00 0.00 C ATOM 0 H LEU A 17 3.693 8.450 -5.868 1.00 0.00 H new ATOM 0 HA LEU A 17 2.510 5.917 -6.452 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.991 7.224 -3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.842 5.512 -4.099 1.00 0.00 H new ATOM 0 HG LEU A 17 5.092 7.337 -5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.495 5.949 -3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.201 6.785 -2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.046 5.053 -2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.183 5.291 -5.851 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.719 4.358 -5.459 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.656 5.634 -6.698 1.00 0.00 H new ATOM 240 N LYS A 18 0.137 5.978 -5.390 1.00 0.00 N ATOM 241 CA LYS A 18 -1.335 6.106 -5.336 1.00 0.00 C ATOM 242 C LYS A 18 -2.028 5.198 -4.310 1.00 0.00 C ATOM 243 O LYS A 18 -1.543 4.115 -3.985 1.00 0.00 O ATOM 244 CB LYS A 18 -1.960 5.961 -6.736 1.00 0.00 C ATOM 245 CG LYS A 18 -1.375 6.907 -7.793 1.00 0.00 C ATOM 246 CD LYS A 18 -2.140 6.842 -9.120 1.00 0.00 C ATOM 247 CE LYS A 18 -1.450 7.768 -10.128 1.00 0.00 C ATOM 248 NZ LYS A 18 -2.104 7.729 -11.462 1.00 0.00 N ATOM 0 H LYS A 18 0.475 5.019 -5.311 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.516 7.118 -4.973 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.829 4.933 -7.074 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.033 6.138 -6.662 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.396 7.929 -7.414 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.329 6.652 -7.966 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.158 5.819 -9.497 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.176 7.146 -8.974 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.462 8.790 -9.748 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.404 7.478 -10.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.605 8.370 -12.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.070 6.760 -11.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.095 8.031 -11.372 1.00 0.00 H new ATOM 262 N LEU A 19 -3.171 5.671 -3.803 1.00 0.00 N ATOM 263 CA LEU A 19 -3.946 5.081 -2.700 1.00 0.00 C ATOM 264 C LEU A 19 -4.655 3.769 -3.077 1.00 0.00 C ATOM 265 O LEU A 19 -4.953 3.512 -4.244 1.00 0.00 O ATOM 266 CB LEU A 19 -4.872 6.184 -2.136 1.00 0.00 C ATOM 267 CG LEU A 19 -5.447 5.964 -0.717 1.00 0.00 C ATOM 268 CD1 LEU A 19 -5.496 7.282 0.055 1.00 0.00 C ATOM 269 CD2 LEU A 19 -6.882 5.442 -0.772 1.00 0.00 C ATOM 0 H LEU A 19 -3.605 6.519 -4.168 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.275 4.752 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.318 7.123 -2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.708 6.308 -2.824 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.794 5.241 -0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.903 7.106 1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.489 7.690 0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.130 7.991 -0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.256 5.298 0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.512 6.164 -1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.903 4.491 -1.305 1.00 0.00 H new ATOM 281 N ALA A 20 -4.919 2.929 -2.077 1.00 0.00 N ATOM 282 CA ALA A 20 -5.366 1.538 -2.258 1.00 0.00 C ATOM 283 C ALA A 20 -6.875 1.400 -2.548 1.00 0.00 C ATOM 284 O ALA A 20 -7.660 2.281 -2.199 1.00 0.00 O ATOM 285 CB ALA A 20 -4.932 0.696 -1.048 1.00 0.00 C ATOM 0 H ALA A 20 -4.828 3.196 -1.097 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.879 1.156 -3.155 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.264 -0.333 -1.183 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.846 0.719 -0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.378 1.105 -0.141 1.00 0.00 H new ATOM 291 N GLY A 21 -7.299 0.298 -3.187 1.00 0.00 N ATOM 292 CA GLY A 21 -8.703 0.102 -3.602 1.00 0.00 C ATOM 293 C GLY A 21 -9.179 -1.357 -3.562 1.00 0.00 C ATOM 294 O GLY A 21 -10.327 -1.615 -3.198 1.00 0.00 O ATOM 0 H GLY A 21 -6.685 -0.479 -3.431 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.347 0.699 -2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.826 0.484 -4.615 1.00 0.00 H new ATOM 298 N GLY A 22 -8.286 -2.313 -3.842 1.00 0.00 N ATOM 299 CA GLY A 22 -8.440 -3.720 -3.479 1.00 0.00 C ATOM 300 C GLY A 22 -8.567 -4.685 -4.661 1.00 0.00 C ATOM 301 O GLY A 22 -9.621 -5.299 -4.841 1.00 0.00 O ATOM 0 H GLY A 22 -7.416 -2.122 -4.339 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.583 -4.020 -2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.324 -3.822 -2.850 1.00 0.00 H new ATOM 305 N LYS A 23 -7.499 -4.839 -5.460 1.00 0.00 N ATOM 306 CA LYS A 23 -7.506 -5.699 -6.667 1.00 0.00 C ATOM 307 C LYS A 23 -7.432 -7.208 -6.377 1.00 0.00 C ATOM 308 O LYS A 23 -8.051 -7.999 -7.089 1.00 0.00 O ATOM 309 CB LYS A 23 -6.384 -5.295 -7.642 1.00 0.00 C ATOM 310 CG LYS A 23 -6.488 -3.852 -8.160 1.00 0.00 C ATOM 311 CD LYS A 23 -5.428 -3.600 -9.243 1.00 0.00 C ATOM 312 CE LYS A 23 -5.517 -2.165 -9.773 1.00 0.00 C ATOM 313 NZ LYS A 23 -4.517 -1.912 -10.843 1.00 0.00 N ATOM 0 H LYS A 23 -6.606 -4.375 -5.293 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.479 -5.527 -7.128 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.423 -5.422 -7.144 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.395 -5.976 -8.493 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.484 -3.675 -8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.351 -3.151 -7.336 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.434 -3.779 -8.833 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.566 -4.304 -10.064 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.519 -1.982 -10.161 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.359 -1.464 -8.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.607 -0.931 -11.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.560 -2.063 -10.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.684 -2.565 -11.635 1.00 0.00 H new ATOM 327 N LEU A 24 -6.671 -7.603 -5.352 1.00 0.00 N ATOM 328 CA LEU A 24 -6.431 -8.999 -4.935 1.00 0.00 C ATOM 329 C LEU A 24 -6.031 -9.062 -3.452 1.00 0.00 C ATOM 330 O LEU A 24 -5.579 -8.054 -2.913 1.00 0.00 O ATOM 331 CB LEU A 24 -5.336 -9.619 -5.833 1.00 0.00 C ATOM 332 CG LEU A 24 -5.217 -11.156 -5.777 1.00 0.00 C ATOM 333 CD1 LEU A 24 -6.516 -11.876 -6.150 1.00 0.00 C ATOM 334 CD2 LEU A 24 -4.139 -11.611 -6.759 1.00 0.00 C ATOM 0 H LEU A 24 -6.181 -6.933 -4.760 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.350 -9.573 -5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.529 -9.325 -6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.375 -9.188 -5.553 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.972 -11.411 -4.746 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.365 -12.954 -6.091 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.306 -11.582 -5.459 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.803 -11.605 -7.166 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.050 -12.697 -6.724 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.412 -11.301 -7.768 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.185 -11.160 -6.487 1.00 0.00 H new ATOM 346 N VAL A 25 -6.184 -10.213 -2.788 1.00 0.00 N ATOM 347 CA VAL A 25 -5.963 -10.374 -1.339 1.00 0.00 C ATOM 348 C VAL A 25 -4.507 -10.673 -0.969 1.00 0.00 C ATOM 349 O VAL A 25 -3.829 -11.512 -1.567 1.00 0.00 O ATOM 350 CB VAL A 25 -6.912 -11.435 -0.750 1.00 0.00 C ATOM 351 CG1 VAL A 25 -6.550 -11.814 0.691 1.00 0.00 C ATOM 352 CG2 VAL A 25 -8.352 -10.903 -0.745 1.00 0.00 C ATOM 0 H VAL A 25 -6.470 -11.077 -3.248 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.193 -9.407 -0.891 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.816 -12.320 -1.379 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.251 -12.565 1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.538 -12.218 0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.604 -10.929 1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.018 -11.658 -0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.404 -9.999 -0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.659 -10.674 -1.766 1.00 0.00 H new ATOM 362 N LEU A 26 -4.057 -9.955 0.061 1.00 0.00 N ATOM 363 CA LEU A 26 -2.760 -10.028 0.730 1.00 0.00 C ATOM 364 C LEU A 26 -2.949 -10.090 2.258 1.00 0.00 C ATOM 365 O LEU A 26 -4.001 -9.731 2.779 1.00 0.00 O ATOM 366 CB LEU A 26 -1.853 -8.868 0.272 1.00 0.00 C ATOM 367 CG LEU A 26 -1.279 -9.074 -1.150 1.00 0.00 C ATOM 368 CD1 LEU A 26 -2.196 -8.575 -2.271 1.00 0.00 C ATOM 369 CD2 LEU A 26 0.018 -8.301 -1.331 1.00 0.00 C ATOM 0 H LEU A 26 -4.648 -9.241 0.487 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.250 -10.948 0.444 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.421 -7.938 0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.030 -8.758 0.978 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.149 -10.154 -1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.722 -8.755 -3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.146 -9.107 -2.228 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.373 -7.507 -2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.400 -8.463 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.168 -7.238 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.753 -8.648 -0.604 1.00 0.00 H new ATOM 381 N SER A 27 -1.951 -10.558 3.008 1.00 0.00 N ATOM 382 CA SER A 27 -1.910 -10.415 4.474 1.00 0.00 C ATOM 383 C SER A 27 -0.982 -9.259 4.851 1.00 0.00 C ATOM 384 O SER A 27 -0.489 -8.555 3.969 1.00 0.00 O ATOM 385 CB SER A 27 -1.474 -11.737 5.109 1.00 0.00 C ATOM 386 OG SER A 27 -1.732 -11.708 6.503 1.00 0.00 O ATOM 0 H SER A 27 -1.145 -11.048 2.621 1.00 0.00 H new ATOM 0 HA SER A 27 -2.903 -10.179 4.857 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.010 -12.567 4.648 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.412 -11.904 4.930 1.00 0.00 H new ATOM 0 HG SER A 27 -1.453 -12.557 6.905 1.00 0.00 H new ATOM 392 N LYS A 28 -0.706 -9.068 6.145 1.00 0.00 N ATOM 393 CA LYS A 28 0.159 -8.003 6.699 1.00 0.00 C ATOM 394 C LYS A 28 1.487 -7.909 5.937 1.00 0.00 C ATOM 395 O LYS A 28 1.917 -6.829 5.509 1.00 0.00 O ATOM 396 CB LYS A 28 0.376 -8.303 8.202 1.00 0.00 C ATOM 397 CG LYS A 28 0.378 -7.040 9.074 1.00 0.00 C ATOM 398 CD LYS A 28 0.725 -7.376 10.531 1.00 0.00 C ATOM 399 CE LYS A 28 0.607 -6.136 11.428 1.00 0.00 C ATOM 400 NZ LYS A 28 1.007 -6.445 12.827 1.00 0.00 N ATOM 0 H LYS A 28 -1.091 -9.672 6.871 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.321 -7.031 6.585 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.408 -8.976 8.549 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.324 -8.826 8.329 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.100 -6.324 8.681 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.601 -6.563 9.031 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.058 -8.157 10.896 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.739 -7.772 10.584 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.237 -5.338 11.035 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.419 -5.769 11.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.626 -5.718 13.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.631 -7.376 13.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.045 -6.457 12.897 1.00 0.00 H new ATOM 414 N GLU A 29 2.067 -9.084 5.689 1.00 0.00 N ATOM 415 CA GLU A 29 3.366 -9.233 5.043 1.00 0.00 C ATOM 416 C GLU A 29 3.280 -8.941 3.538 1.00 0.00 C ATOM 417 O GLU A 29 4.142 -8.266 2.974 1.00 0.00 O ATOM 418 CB GLU A 29 3.919 -10.647 5.279 1.00 0.00 C ATOM 419 CG GLU A 29 4.020 -11.085 6.748 1.00 0.00 C ATOM 420 CD GLU A 29 4.970 -10.194 7.571 1.00 0.00 C ATOM 421 OE1 GLU A 29 6.204 -10.252 7.349 1.00 0.00 O ATOM 422 OE2 GLU A 29 4.489 -9.451 8.460 1.00 0.00 O ATOM 0 H GLU A 29 1.636 -9.975 5.938 1.00 0.00 H new ATOM 0 HA GLU A 29 4.046 -8.506 5.487 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.285 -11.358 4.749 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.911 -10.709 4.831 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.028 -11.064 7.198 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.368 -12.117 6.792 1.00 0.00 H new ATOM 429 N GLY A 30 2.201 -9.385 2.881 1.00 0.00 N ATOM 430 CA GLY A 30 1.957 -9.059 1.488 1.00 0.00 C ATOM 431 C GLY A 30 1.720 -7.565 1.281 1.00 0.00 C ATOM 432 O GLY A 30 2.317 -6.984 0.381 1.00 0.00 O ATOM 0 H GLY A 30 1.484 -9.975 3.304 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.809 -9.377 0.887 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.090 -9.616 1.132 1.00 0.00 H new ATOM 436 N ALA A 31 0.916 -6.910 2.125 1.00 0.00 N ATOM 437 CA ALA A 31 0.630 -5.484 1.982 1.00 0.00 C ATOM 438 C ALA A 31 1.929 -4.676 2.146 1.00 0.00 C ATOM 439 O ALA A 31 2.238 -3.795 1.331 1.00 0.00 O ATOM 440 CB ALA A 31 -0.469 -5.079 2.980 1.00 0.00 C ATOM 0 H ALA A 31 0.450 -7.351 2.918 1.00 0.00 H new ATOM 0 HA ALA A 31 0.249 -5.265 0.985 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.683 -4.015 2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.373 -5.653 2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.130 -5.281 3.996 1.00 0.00 H new ATOM 446 N GLU A 32 2.750 -5.025 3.148 1.00 0.00 N ATOM 447 CA GLU A 32 4.057 -4.347 3.238 1.00 0.00 C ATOM 448 C GLU A 32 4.995 -4.685 2.061 1.00 0.00 C ATOM 449 O GLU A 32 5.788 -3.838 1.638 1.00 0.00 O ATOM 450 CB GLU A 32 4.750 -4.522 4.582 1.00 0.00 C ATOM 451 CG GLU A 32 5.327 -5.913 4.822 1.00 0.00 C ATOM 452 CD GLU A 32 6.237 -5.928 6.068 1.00 0.00 C ATOM 453 OE1 GLU A 32 5.733 -5.722 7.199 1.00 0.00 O ATOM 454 OE2 GLU A 32 7.467 -6.129 5.920 1.00 0.00 O ATOM 0 H GLU A 32 2.555 -5.724 3.865 1.00 0.00 H new ATOM 0 HA GLU A 32 3.820 -3.286 3.159 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.555 -3.791 4.659 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.038 -4.297 5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.516 -6.629 4.951 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.896 -6.230 3.948 1.00 0.00 H new ATOM 461 N GLN A 33 4.886 -5.889 1.477 1.00 0.00 N ATOM 462 CA GLN A 33 5.629 -6.203 0.257 1.00 0.00 C ATOM 463 C GLN A 33 5.166 -5.333 -0.921 1.00 0.00 C ATOM 464 O GLN A 33 6.005 -4.889 -1.705 1.00 0.00 O ATOM 465 CB GLN A 33 5.592 -7.706 -0.068 1.00 0.00 C ATOM 466 CG GLN A 33 6.525 -8.084 -1.237 1.00 0.00 C ATOM 467 CD GLN A 33 8.001 -7.770 -0.973 1.00 0.00 C ATOM 468 OE1 GLN A 33 8.547 -8.045 0.089 1.00 0.00 O ATOM 469 NE2 GLN A 33 8.720 -7.197 -1.915 1.00 0.00 N ATOM 0 H GLN A 33 4.299 -6.647 1.827 1.00 0.00 H new ATOM 0 HA GLN A 33 6.675 -5.957 0.438 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.878 -8.273 0.818 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.571 -7.995 -0.315 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.421 -9.149 -1.444 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.204 -7.552 -2.133 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.291 -6.957 -2.809 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.706 -6.993 -1.751 1.00 0.00 H new ATOM 478 N ILE A 34 3.876 -4.982 -1.007 1.00 0.00 N ATOM 479 CA ILE A 34 3.422 -3.953 -1.956 1.00 0.00 C ATOM 480 C ILE A 34 4.091 -2.621 -1.628 1.00 0.00 C ATOM 481 O ILE A 34 4.541 -1.963 -2.557 1.00 0.00 O ATOM 482 CB ILE A 34 1.897 -3.761 -2.031 1.00 0.00 C ATOM 483 CG1 ILE A 34 1.182 -5.084 -2.341 1.00 0.00 C ATOM 484 CG2 ILE A 34 1.615 -2.739 -3.155 1.00 0.00 C ATOM 485 CD1 ILE A 34 -0.334 -4.973 -2.133 1.00 0.00 C ATOM 0 H ILE A 34 3.134 -5.390 -0.438 1.00 0.00 H new ATOM 0 HA ILE A 34 3.718 -4.315 -2.940 1.00 0.00 H new ATOM 0 HB ILE A 34 1.523 -3.407 -1.070 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.387 -5.376 -3.371 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.580 -5.871 -1.701 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.540 -2.577 -3.238 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.107 -1.795 -2.921 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.998 -3.123 -4.100 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.804 -5.929 -2.363 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.540 -4.707 -1.096 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.736 -4.204 -2.792 1.00 0.00 H new ATOM 497 N ILE A 35 4.224 -2.220 -0.355 1.00 0.00 N ATOM 498 CA ILE A 35 5.001 -0.994 -0.051 1.00 0.00 C ATOM 499 C ILE A 35 6.417 -1.028 -0.608 1.00 0.00 C ATOM 500 O ILE A 35 6.889 -0.026 -1.143 1.00 0.00 O ATOM 501 CB ILE A 35 5.033 -0.631 1.449 1.00 0.00 C ATOM 502 CG1 ILE A 35 4.299 0.708 1.628 1.00 0.00 C ATOM 503 CG2 ILE A 35 6.409 -0.514 2.142 1.00 0.00 C ATOM 504 CD1 ILE A 35 4.898 1.925 0.920 1.00 0.00 C ATOM 0 H ILE A 35 3.826 -2.697 0.454 1.00 0.00 H new ATOM 0 HA ILE A 35 4.452 -0.205 -0.566 1.00 0.00 H new ATOM 0 HB ILE A 35 4.562 -1.484 1.937 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.274 0.583 1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.248 0.927 2.695 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.267 -0.254 3.191 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.934 -1.467 2.072 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.998 0.261 1.652 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.287 2.804 1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.912 2.095 1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.923 1.745 -0.155 1.00 0.00 H new ATOM 516 N SER A 36 7.067 -2.182 -0.524 1.00 0.00 N ATOM 517 CA SER A 36 8.392 -2.372 -1.105 1.00 0.00 C ATOM 518 C SER A 36 8.334 -2.204 -2.625 1.00 0.00 C ATOM 519 O SER A 36 9.150 -1.458 -3.163 1.00 0.00 O ATOM 520 CB SER A 36 8.975 -3.726 -0.696 1.00 0.00 C ATOM 521 OG SER A 36 9.382 -3.690 0.663 1.00 0.00 O ATOM 0 H SER A 36 6.695 -3.008 -0.055 1.00 0.00 H new ATOM 0 HA SER A 36 9.063 -1.606 -0.716 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.231 -4.510 -0.841 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.825 -3.972 -1.332 1.00 0.00 H new ATOM 0 HG SER A 36 9.752 -4.561 0.917 1.00 0.00 H new ATOM 527 N GLU A 37 7.331 -2.764 -3.318 1.00 0.00 N ATOM 528 CA GLU A 37 7.152 -2.512 -4.758 1.00 0.00 C ATOM 529 C GLU A 37 6.874 -1.025 -5.055 1.00 0.00 C ATOM 530 O GLU A 37 7.527 -0.434 -5.912 1.00 0.00 O ATOM 531 CB GLU A 37 6.031 -3.375 -5.373 1.00 0.00 C ATOM 532 CG GLU A 37 6.115 -4.894 -5.151 1.00 0.00 C ATOM 533 CD GLU A 37 7.520 -5.491 -5.362 1.00 0.00 C ATOM 534 OE1 GLU A 37 8.144 -5.234 -6.420 1.00 0.00 O ATOM 535 OE2 GLU A 37 7.990 -6.252 -4.481 1.00 0.00 O ATOM 0 H GLU A 37 6.636 -3.389 -2.910 1.00 0.00 H new ATOM 0 HA GLU A 37 8.097 -2.793 -5.223 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.078 -3.027 -4.974 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.013 -3.191 -6.447 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.786 -5.119 -4.137 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.418 -5.387 -5.829 1.00 0.00 H new ATOM 542 N ILE A 38 5.955 -0.391 -4.322 1.00 0.00 N ATOM 543 CA ILE A 38 5.521 1.000 -4.533 1.00 0.00 C ATOM 544 C ILE A 38 6.681 1.993 -4.325 1.00 0.00 C ATOM 545 O ILE A 38 7.063 2.755 -5.226 1.00 0.00 O ATOM 546 CB ILE A 38 4.290 1.243 -3.618 1.00 0.00 C ATOM 547 CG1 ILE A 38 3.034 0.638 -4.292 1.00 0.00 C ATOM 548 CG2 ILE A 38 4.056 2.701 -3.265 1.00 0.00 C ATOM 549 CD1 ILE A 38 1.724 0.803 -3.505 1.00 0.00 C ATOM 0 H ILE A 38 5.476 -0.841 -3.542 1.00 0.00 H new ATOM 0 HA ILE A 38 5.218 1.171 -5.566 1.00 0.00 H new ATOM 0 HB ILE A 38 4.497 0.748 -2.669 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.910 1.098 -5.272 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.207 -0.425 -4.459 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.178 2.784 -2.624 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.927 3.093 -2.740 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.894 3.275 -4.177 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.905 0.346 -4.061 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.819 0.317 -2.534 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.517 1.863 -3.361 1.00 0.00 H new ATOM 561 N GLN A 39 7.324 1.928 -3.160 1.00 0.00 N ATOM 562 CA GLN A 39 8.474 2.774 -2.869 1.00 0.00 C ATOM 563 C GLN A 39 9.638 2.470 -3.824 1.00 0.00 C ATOM 564 O GLN A 39 10.341 3.392 -4.230 1.00 0.00 O ATOM 565 CB GLN A 39 8.910 2.611 -1.413 1.00 0.00 C ATOM 566 CG GLN A 39 8.002 3.314 -0.382 1.00 0.00 C ATOM 567 CD GLN A 39 8.709 3.552 0.954 1.00 0.00 C ATOM 568 OE1 GLN A 39 9.630 2.854 1.359 1.00 0.00 O ATOM 569 NE2 GLN A 39 8.298 4.563 1.681 1.00 0.00 N ATOM 0 H GLN A 39 7.065 1.296 -2.403 1.00 0.00 H new ATOM 0 HA GLN A 39 8.177 3.811 -3.023 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.948 1.548 -1.177 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.924 2.998 -1.307 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.668 4.269 -0.788 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.111 2.709 -0.215 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.532 5.150 1.352 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.745 4.763 2.576 1.00 0.00 H new ATOM 578 N ASN A 40 9.797 1.218 -4.267 1.00 0.00 N ATOM 579 CA ASN A 40 10.741 0.883 -5.342 1.00 0.00 C ATOM 580 C ASN A 40 10.368 1.513 -6.702 1.00 0.00 C ATOM 581 O ASN A 40 11.277 1.925 -7.420 1.00 0.00 O ATOM 582 CB ASN A 40 10.915 -0.639 -5.432 1.00 0.00 C ATOM 583 CG ASN A 40 11.973 -1.046 -6.443 1.00 0.00 C ATOM 584 OD1 ASN A 40 13.165 -0.913 -6.210 1.00 0.00 O ATOM 585 ND2 ASN A 40 11.582 -1.555 -7.590 1.00 0.00 N ATOM 0 H ASN A 40 9.284 0.418 -3.898 1.00 0.00 H new ATOM 0 HA ASN A 40 11.702 1.327 -5.083 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.186 -1.029 -4.451 1.00 0.00 H new ATOM 0 HB3 ASN A 40 9.963 -1.095 -5.704 1.00 0.00 H new ATOM 0 HD21 ASN A 40 12.273 -1.838 -8.284 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.587 -1.667 -7.786 1.00 0.00 H new ATOM 592 N GLN A 41 9.083 1.687 -7.051 1.00 0.00 N ATOM 593 CA GLN A 41 8.697 2.438 -8.252 1.00 0.00 C ATOM 594 C GLN A 41 9.088 3.914 -8.126 1.00 0.00 C ATOM 595 O GLN A 41 9.576 4.494 -9.097 1.00 0.00 O ATOM 596 CB GLN A 41 7.197 2.311 -8.569 1.00 0.00 C ATOM 597 CG GLN A 41 6.793 0.890 -8.977 1.00 0.00 C ATOM 598 CD GLN A 41 5.386 0.844 -9.567 1.00 0.00 C ATOM 599 OE1 GLN A 41 4.407 0.548 -8.894 1.00 0.00 O ATOM 600 NE2 GLN A 41 5.220 1.143 -10.840 1.00 0.00 N ATOM 0 H GLN A 41 8.296 1.317 -6.518 1.00 0.00 H new ATOM 0 HA GLN A 41 9.245 1.995 -9.084 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.619 2.611 -7.695 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.941 3.001 -9.373 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.505 0.506 -9.707 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.843 0.235 -8.107 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.025 1.392 -11.415 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.286 1.126 -11.250 1.00 0.00 H new ATOM 609 N LEU A 42 8.957 4.509 -6.931 1.00 0.00 N ATOM 610 CA LEU A 42 9.462 5.883 -6.717 1.00 0.00 C ATOM 611 C LEU A 42 11.005 5.986 -6.673 1.00 0.00 C ATOM 612 O LEU A 42 11.569 6.987 -7.114 1.00 0.00 O ATOM 613 CB LEU A 42 8.754 6.486 -5.493 1.00 0.00 C ATOM 614 CG LEU A 42 8.952 8.011 -5.278 1.00 0.00 C ATOM 615 CD1 LEU A 42 7.753 8.573 -4.527 1.00 0.00 C ATOM 616 CD2 LEU A 42 10.181 8.313 -4.414 1.00 0.00 C ATOM 0 H LEU A 42 8.519 4.079 -6.116 1.00 0.00 H new ATOM 0 HA LEU A 42 9.211 6.486 -7.590 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.686 6.287 -5.581 1.00 0.00 H new ATOM 0 HB3 LEU A 42 9.104 5.965 -4.602 1.00 0.00 H new ATOM 0 HG LEU A 42 9.073 8.458 -6.265 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.889 9.644 -4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.847 8.401 -5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.664 8.077 -3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.282 9.391 -4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.063 7.844 -3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.073 7.919 -4.900 1.00 0.00 H new ATOM 746 N MET B 4 -9.488 -16.713 1.618 1.00 0.00 N ATOM 747 CA MET B 4 -8.728 -15.484 1.376 1.00 0.00 C ATOM 748 C MET B 4 -7.315 -15.564 1.963 1.00 0.00 C ATOM 749 O MET B 4 -7.094 -15.339 3.152 1.00 0.00 O ATOM 750 CB MET B 4 -9.522 -14.285 1.911 1.00 0.00 C ATOM 751 CG MET B 4 -10.494 -13.800 0.828 1.00 0.00 C ATOM 752 SD MET B 4 -11.473 -12.325 1.240 1.00 0.00 S ATOM 753 CE MET B 4 -12.505 -12.968 2.587 1.00 0.00 C ATOM 0 HA MET B 4 -8.592 -15.353 0.303 1.00 0.00 H new ATOM 0 HB2 MET B 4 -10.071 -14.569 2.809 1.00 0.00 H new ATOM 0 HB3 MET B 4 -8.843 -13.481 2.194 1.00 0.00 H new ATOM 0 HG2 MET B 4 -9.924 -13.592 -0.077 1.00 0.00 H new ATOM 0 HG3 MET B 4 -11.180 -14.613 0.593 1.00 0.00 H new ATOM 0 HE1 MET B 4 -13.236 -12.214 2.877 1.00 0.00 H new ATOM 0 HE2 MET B 4 -13.024 -13.866 2.251 1.00 0.00 H new ATOM 0 HE3 MET B 4 -11.876 -13.211 3.443 1.00 0.00 H new ATOM 763 N THR B 5 -6.351 -15.863 1.095 1.00 0.00 N ATOM 764 CA THR B 5 -4.917 -15.963 1.405 1.00 0.00 C ATOM 765 C THR B 5 -4.097 -14.994 0.555 1.00 0.00 C ATOM 766 O THR B 5 -4.490 -14.638 -0.559 1.00 0.00 O ATOM 767 CB THR B 5 -4.420 -17.408 1.237 1.00 0.00 C ATOM 768 OG1 THR B 5 -3.117 -17.513 1.757 1.00 0.00 O ATOM 769 CG2 THR B 5 -4.385 -17.888 -0.219 1.00 0.00 C ATOM 0 H THR B 5 -6.551 -16.051 0.113 1.00 0.00 H new ATOM 0 HA THR B 5 -4.780 -15.680 2.449 1.00 0.00 H new ATOM 0 HB THR B 5 -5.132 -18.036 1.772 1.00 0.00 H new ATOM 0 HG1 THR B 5 -2.797 -18.433 1.654 1.00 0.00 H new ATOM 0 HG21 THR B 5 -4.024 -18.916 -0.255 1.00 0.00 H new ATOM 0 HG22 THR B 5 -5.389 -17.841 -0.642 1.00 0.00 H new ATOM 0 HG23 THR B 5 -3.718 -17.249 -0.797 1.00 0.00 H new ATOM 777 N CYS B 6 -2.947 -14.570 1.071 1.00 0.00 N ATOM 778 CA CYS B 6 -2.002 -13.718 0.370 1.00 0.00 C ATOM 779 C CYS B 6 -1.439 -14.375 -0.899 1.00 0.00 C ATOM 780 O CYS B 6 -0.795 -15.418 -0.823 1.00 0.00 O ATOM 781 CB CYS B 6 -0.899 -13.315 1.354 1.00 0.00 C ATOM 782 SG CYS B 6 0.184 -12.097 0.567 1.00 0.00 S ATOM 0 H CYS B 6 -2.642 -14.818 2.012 1.00 0.00 H new ATOM 0 HA CYS B 6 -2.519 -12.826 0.016 1.00 0.00 H new ATOM 0 HB2 CYS B 6 -1.338 -12.897 2.260 1.00 0.00 H new ATOM 0 HB3 CYS B 6 -0.324 -14.191 1.653 1.00 0.00 H new ATOM 0 HG CYS B 6 1.331 -12.076 1.179 1.00 0.00 H new ATOM 788 N GLN B 7 -1.591 -13.739 -2.064 1.00 0.00 N ATOM 789 CA GLN B 7 -0.986 -14.239 -3.309 1.00 0.00 C ATOM 790 C GLN B 7 0.533 -13.950 -3.406 1.00 0.00 C ATOM 791 O GLN B 7 1.233 -14.599 -4.186 1.00 0.00 O ATOM 792 CB GLN B 7 -1.812 -13.695 -4.489 1.00 0.00 C ATOM 793 CG GLN B 7 -1.361 -14.155 -5.890 1.00 0.00 C ATOM 794 CD GLN B 7 -1.429 -15.670 -6.090 1.00 0.00 C ATOM 795 OE1 GLN B 7 -2.425 -16.223 -6.539 1.00 0.00 O ATOM 796 NE2 GLN B 7 -0.382 -16.399 -5.765 1.00 0.00 N ATOM 0 H GLN B 7 -2.126 -12.878 -2.175 1.00 0.00 H new ATOM 0 HA GLN B 7 -1.027 -15.328 -3.330 1.00 0.00 H new ATOM 0 HB2 GLN B 7 -2.852 -13.990 -4.347 1.00 0.00 H new ATOM 0 HB3 GLN B 7 -1.783 -12.606 -4.458 1.00 0.00 H new ATOM 0 HG2 GLN B 7 -1.985 -13.670 -6.641 1.00 0.00 H new ATOM 0 HG3 GLN B 7 -0.338 -13.820 -6.061 1.00 0.00 H new ATOM 0 HE21 GLN B 7 0.454 -15.952 -5.390 1.00 0.00 H new ATOM 0 HE22 GLN B 7 -0.407 -17.411 -5.888 1.00 0.00 H new ATOM 805 N VAL B 8 1.061 -13.021 -2.597 1.00 0.00 N ATOM 806 CA VAL B 8 2.483 -12.603 -2.597 1.00 0.00 C ATOM 807 C VAL B 8 3.333 -13.343 -1.544 1.00 0.00 C ATOM 808 O VAL B 8 4.541 -13.495 -1.727 1.00 0.00 O ATOM 809 CB VAL B 8 2.566 -11.067 -2.435 1.00 0.00 C ATOM 810 CG1 VAL B 8 3.996 -10.518 -2.403 1.00 0.00 C ATOM 811 CG2 VAL B 8 1.845 -10.366 -3.598 1.00 0.00 C ATOM 0 H VAL B 8 0.502 -12.523 -1.904 1.00 0.00 H new ATOM 0 HA VAL B 8 2.915 -12.885 -3.557 1.00 0.00 H new ATOM 0 HB VAL B 8 2.096 -10.862 -1.473 1.00 0.00 H new ATOM 0 HG11 VAL B 8 3.967 -9.435 -2.287 1.00 0.00 H new ATOM 0 HG12 VAL B 8 4.536 -10.958 -1.565 1.00 0.00 H new ATOM 0 HG13 VAL B 8 4.503 -10.770 -3.334 1.00 0.00 H new ATOM 0 HG21 VAL B 8 1.912 -9.286 -3.470 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.314 -10.649 -4.540 1.00 0.00 H new ATOM 0 HG23 VAL B 8 0.797 -10.665 -3.610 1.00 0.00 H new ATOM 821 N THR B 9 2.714 -13.839 -0.464 1.00 0.00 N ATOM 822 CA THR B 9 3.401 -14.510 0.668 1.00 0.00 C ATOM 823 C THR B 9 2.790 -15.863 1.041 1.00 0.00 C ATOM 824 O THR B 9 3.508 -16.772 1.464 1.00 0.00 O ATOM 825 CB THR B 9 3.441 -13.628 1.927 1.00 0.00 C ATOM 826 OG1 THR B 9 2.153 -13.514 2.498 1.00 0.00 O ATOM 827 CG2 THR B 9 3.939 -12.210 1.650 1.00 0.00 C ATOM 0 H THR B 9 1.703 -13.788 -0.342 1.00 0.00 H new ATOM 0 HA THR B 9 4.414 -14.682 0.305 1.00 0.00 H new ATOM 0 HB THR B 9 4.136 -14.123 2.605 1.00 0.00 H new ATOM 0 HG1 THR B 9 2.199 -12.951 3.299 1.00 0.00 H new ATOM 0 HG21 THR B 9 3.944 -11.638 2.578 1.00 0.00 H new ATOM 0 HG22 THR B 9 4.950 -12.252 1.244 1.00 0.00 H new ATOM 0 HG23 THR B 9 3.279 -11.727 0.930 1.00 0.00 H new ATOM 835 N GLY B 10 1.472 -16.008 0.868 1.00 0.00 N ATOM 836 CA GLY B 10 0.718 -17.221 1.223 1.00 0.00 C ATOM 837 C GLY B 10 0.128 -17.211 2.639 1.00 0.00 C ATOM 838 O GLY B 10 -0.390 -18.231 3.094 1.00 0.00 O ATOM 0 H GLY B 10 0.886 -15.274 0.470 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -0.092 -17.353 0.506 1.00 0.00 H new ATOM 0 HA3 GLY B 10 1.375 -18.085 1.123 1.00 0.00 H new ATOM 842 N GLU B 11 0.211 -16.082 3.351 1.00 0.00 N ATOM 843 CA GLU B 11 -0.392 -15.900 4.677 1.00 0.00 C ATOM 844 C GLU B 11 -1.888 -15.570 4.609 1.00 0.00 C ATOM 845 O GLU B 11 -2.344 -14.811 3.759 1.00 0.00 O ATOM 846 CB GLU B 11 0.363 -14.819 5.461 1.00 0.00 C ATOM 847 CG GLU B 11 1.696 -15.339 5.999 1.00 0.00 C ATOM 848 CD GLU B 11 1.517 -16.214 7.256 1.00 0.00 C ATOM 849 OE1 GLU B 11 1.345 -17.450 7.124 1.00 0.00 O ATOM 850 OE2 GLU B 11 1.549 -15.673 8.388 1.00 0.00 O ATOM 0 H GLU B 11 0.707 -15.255 3.017 1.00 0.00 H new ATOM 0 HA GLU B 11 -0.305 -16.853 5.200 1.00 0.00 H new ATOM 0 HB2 GLU B 11 0.542 -13.959 4.816 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -0.254 -14.473 6.290 1.00 0.00 H new ATOM 0 HG2 GLU B 11 2.197 -15.919 5.224 1.00 0.00 H new ATOM 0 HG3 GLU B 11 2.344 -14.495 6.235 1.00 0.00 H new ATOM 857 N VAL B 12 -2.646 -16.112 5.556 1.00 0.00 N ATOM 858 CA VAL B 12 -4.104 -15.927 5.692 1.00 0.00 C ATOM 859 C VAL B 12 -4.462 -15.264 7.025 1.00 0.00 C ATOM 860 O VAL B 12 -4.044 -15.720 8.091 1.00 0.00 O ATOM 861 CB VAL B 12 -4.879 -17.246 5.441 1.00 0.00 C ATOM 862 CG1 VAL B 12 -4.266 -18.474 6.132 1.00 0.00 C ATOM 863 CG2 VAL B 12 -6.351 -17.169 5.870 1.00 0.00 C ATOM 0 H VAL B 12 -2.257 -16.715 6.281 1.00 0.00 H new ATOM 0 HA VAL B 12 -4.426 -15.239 4.911 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.806 -17.369 4.360 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.866 -19.356 5.907 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.249 -18.625 5.770 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.247 -18.313 7.210 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.839 -18.123 5.669 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -6.408 -16.950 6.936 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -6.852 -16.380 5.310 1.00 0.00 H new ATOM 873 N SER B 13 -5.276 -14.206 6.958 1.00 0.00 N ATOM 874 CA SER B 13 -5.975 -13.614 8.111 1.00 0.00 C ATOM 875 C SER B 13 -7.488 -13.520 7.866 1.00 0.00 C ATOM 876 O SER B 13 -7.935 -13.422 6.723 1.00 0.00 O ATOM 877 CB SER B 13 -5.380 -12.238 8.429 1.00 0.00 C ATOM 878 OG SER B 13 -6.004 -11.685 9.575 1.00 0.00 O ATOM 0 H SER B 13 -5.474 -13.723 6.081 1.00 0.00 H new ATOM 0 HA SER B 13 -5.832 -14.267 8.972 1.00 0.00 H new ATOM 0 HB2 SER B 13 -4.307 -12.329 8.599 1.00 0.00 H new ATOM 0 HB3 SER B 13 -5.513 -11.571 7.577 1.00 0.00 H new ATOM 0 HG SER B 13 -5.614 -10.807 9.768 1.00 0.00 H new ATOM 884 N ASP B 14 -8.291 -13.507 8.933 1.00 0.00 N ATOM 885 CA ASP B 14 -9.715 -13.137 8.867 1.00 0.00 C ATOM 886 C ASP B 14 -9.921 -11.627 8.616 1.00 0.00 C ATOM 887 O ASP B 14 -10.970 -11.206 8.126 1.00 0.00 O ATOM 888 CB ASP B 14 -10.444 -13.575 10.147 1.00 0.00 C ATOM 889 CG ASP B 14 -10.167 -15.038 10.533 1.00 0.00 C ATOM 890 OD1 ASP B 14 -10.799 -15.949 9.944 1.00 0.00 O ATOM 891 OD2 ASP B 14 -9.334 -15.285 11.439 1.00 0.00 O ATOM 0 H ASP B 14 -7.975 -13.753 9.871 1.00 0.00 H new ATOM 0 HA ASP B 14 -10.143 -13.663 8.014 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -10.142 -12.926 10.969 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -11.517 -13.439 10.011 1.00 0.00 H new ATOM 896 N ASP B 15 -8.904 -10.813 8.916 1.00 0.00 N ATOM 897 CA ASP B 15 -8.825 -9.366 8.733 1.00 0.00 C ATOM 898 C ASP B 15 -7.961 -8.975 7.511 1.00 0.00 C ATOM 899 O ASP B 15 -7.248 -7.969 7.525 1.00 0.00 O ATOM 900 CB ASP B 15 -8.354 -8.741 10.053 1.00 0.00 C ATOM 901 CG ASP B 15 -9.192 -9.191 11.261 1.00 0.00 C ATOM 902 OD1 ASP B 15 -10.375 -8.783 11.348 1.00 0.00 O ATOM 903 OD2 ASP B 15 -8.680 -9.931 12.135 1.00 0.00 O ATOM 0 H ASP B 15 -8.046 -11.183 9.326 1.00 0.00 H new ATOM 0 HA ASP B 15 -9.810 -8.965 8.496 1.00 0.00 H new ATOM 0 HB2 ASP B 15 -7.310 -9.006 10.222 1.00 0.00 H new ATOM 0 HB3 ASP B 15 -8.398 -7.655 9.971 1.00 0.00 H new ATOM 908 N ASN B 16 -7.961 -9.821 6.473 1.00 0.00 N ATOM 909 CA ASN B 16 -7.065 -9.745 5.316 1.00 0.00 C ATOM 910 C ASN B 16 -7.107 -8.417 4.527 1.00 0.00 C ATOM 911 O ASN B 16 -8.138 -7.753 4.394 1.00 0.00 O ATOM 912 CB ASN B 16 -7.315 -10.944 4.387 1.00 0.00 C ATOM 913 CG ASN B 16 -8.731 -10.984 3.831 1.00 0.00 C ATOM 914 OD1 ASN B 16 -9.648 -11.521 4.433 1.00 0.00 O ATOM 915 ND2 ASN B 16 -8.960 -10.419 2.668 1.00 0.00 N ATOM 0 H ASN B 16 -8.610 -10.606 6.415 1.00 0.00 H new ATOM 0 HA ASN B 16 -6.056 -9.780 5.726 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -6.607 -10.908 3.559 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -7.120 -11.866 4.934 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -9.900 -10.430 2.272 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -8.198 -9.969 2.161 1.00 0.00 H new ATOM 922 N LEU B 17 -5.947 -8.081 3.964 1.00 0.00 N ATOM 923 CA LEU B 17 -5.610 -6.857 3.231 1.00 0.00 C ATOM 924 C LEU B 17 -5.792 -7.046 1.717 1.00 0.00 C ATOM 925 O LEU B 17 -5.954 -8.172 1.242 1.00 0.00 O ATOM 926 CB LEU B 17 -4.169 -6.439 3.636 1.00 0.00 C ATOM 927 CG LEU B 17 -3.990 -6.356 5.164 1.00 0.00 C ATOM 928 CD1 LEU B 17 -2.548 -6.069 5.557 1.00 0.00 C ATOM 929 CD2 LEU B 17 -4.933 -5.321 5.771 1.00 0.00 C ATOM 0 H LEU B 17 -5.148 -8.713 4.012 1.00 0.00 H new ATOM 0 HA LEU B 17 -6.290 -6.047 3.495 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -3.457 -7.156 3.228 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -3.936 -5.471 3.192 1.00 0.00 H new ATOM 0 HG LEU B 17 -4.247 -7.335 5.568 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -2.470 -6.019 6.643 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -1.904 -6.865 5.183 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -2.236 -5.117 5.127 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -4.786 -5.283 6.850 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -4.723 -4.341 5.342 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -5.965 -5.598 5.555 1.00 0.00 H new ATOM 941 N LYS B 18 -5.808 -5.952 0.944 1.00 0.00 N ATOM 942 CA LYS B 18 -5.978 -5.996 -0.522 1.00 0.00 C ATOM 943 C LYS B 18 -5.100 -4.994 -1.291 1.00 0.00 C ATOM 944 O LYS B 18 -4.694 -3.964 -0.755 1.00 0.00 O ATOM 945 CB LYS B 18 -7.464 -5.871 -0.906 1.00 0.00 C ATOM 946 CG LYS B 18 -8.298 -7.120 -0.584 1.00 0.00 C ATOM 947 CD LYS B 18 -9.742 -7.043 -1.099 1.00 0.00 C ATOM 948 CE LYS B 18 -10.595 -6.128 -0.214 1.00 0.00 C ATOM 949 NZ LYS B 18 -11.998 -6.045 -0.700 1.00 0.00 N ATOM 0 H LYS B 18 -5.704 -5.007 1.315 1.00 0.00 H new ATOM 0 HA LYS B 18 -5.619 -6.976 -0.835 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -7.893 -5.015 -0.384 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -7.537 -5.663 -1.973 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -7.812 -7.993 -1.019 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -8.313 -7.268 0.496 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -9.747 -6.671 -2.123 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -10.177 -8.042 -1.121 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -10.586 -6.501 0.810 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -10.157 -5.130 -0.194 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -12.545 -5.417 -0.077 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -12.008 -5.666 -1.668 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -12.424 -6.994 -0.695 1.00 0.00 H new ATOM 963 N LEU B 19 -4.796 -5.335 -2.549 1.00 0.00 N ATOM 964 CA LEU B 19 -3.820 -4.672 -3.425 1.00 0.00 C ATOM 965 C LEU B 19 -4.253 -3.273 -3.902 1.00 0.00 C ATOM 966 O LEU B 19 -5.432 -2.914 -3.873 1.00 0.00 O ATOM 967 CB LEU B 19 -3.456 -5.667 -4.554 1.00 0.00 C ATOM 968 CG LEU B 19 -2.158 -5.372 -5.345 1.00 0.00 C ATOM 969 CD1 LEU B 19 -1.387 -6.661 -5.626 1.00 0.00 C ATOM 970 CD2 LEU B 19 -2.458 -4.734 -6.703 1.00 0.00 C ATOM 0 H LEU B 19 -5.249 -6.124 -3.009 1.00 0.00 H new ATOM 0 HA LEU B 19 -2.917 -4.436 -2.862 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -3.370 -6.662 -4.117 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -4.286 -5.700 -5.260 1.00 0.00 H new ATOM 0 HG LEU B 19 -1.573 -4.691 -4.726 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -0.479 -6.428 -6.183 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -1.122 -7.139 -4.683 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -2.009 -7.337 -6.213 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -1.523 -4.542 -7.229 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -3.075 -5.411 -7.295 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -2.990 -3.795 -6.554 1.00 0.00 H new ATOM 982 N ALA B 20 -3.287 -2.465 -4.336 1.00 0.00 N ATOM 983 CA ALA B 20 -3.473 -1.036 -4.596 1.00 0.00 C ATOM 984 C ALA B 20 -4.288 -0.754 -5.879 1.00 0.00 C ATOM 985 O ALA B 20 -4.056 -1.377 -6.916 1.00 0.00 O ATOM 986 CB ALA B 20 -2.100 -0.351 -4.614 1.00 0.00 C ATOM 0 H ALA B 20 -2.337 -2.789 -4.520 1.00 0.00 H new ATOM 0 HA ALA B 20 -4.073 -0.615 -3.790 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -2.227 0.714 -4.807 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -1.612 -0.489 -3.649 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -1.484 -0.791 -5.399 1.00 0.00 H new ATOM 992 N GLY B 21 -5.243 0.184 -5.814 1.00 0.00 N ATOM 993 CA GLY B 21 -6.147 0.522 -6.930 1.00 0.00 C ATOM 994 C GLY B 21 -5.707 1.772 -7.698 1.00 0.00 C ATOM 995 O GLY B 21 -5.623 1.761 -8.927 1.00 0.00 O ATOM 0 H GLY B 21 -5.414 0.738 -4.975 1.00 0.00 H new ATOM 0 HA2 GLY B 21 -6.197 -0.322 -7.618 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -7.154 0.677 -6.541 1.00 0.00 H new ATOM 999 N GLY B 22 -5.381 2.829 -6.951 1.00 0.00 N ATOM 1000 CA GLY B 22 -4.862 4.110 -7.430 1.00 0.00 C ATOM 1001 C GLY B 22 -5.867 5.263 -7.321 1.00 0.00 C ATOM 1002 O GLY B 22 -6.171 5.909 -8.326 1.00 0.00 O ATOM 0 H GLY B 22 -5.478 2.812 -5.936 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -3.968 4.365 -6.862 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -4.558 4.002 -8.471 1.00 0.00 H new ATOM 1006 N LYS B 23 -6.414 5.505 -6.118 1.00 0.00 N ATOM 1007 CA LYS B 23 -7.556 6.428 -5.911 1.00 0.00 C ATOM 1008 C LYS B 23 -7.183 7.914 -5.772 1.00 0.00 C ATOM 1009 O LYS B 23 -7.944 8.777 -6.210 1.00 0.00 O ATOM 1010 CB LYS B 23 -8.424 5.972 -4.723 1.00 0.00 C ATOM 1011 CG LYS B 23 -8.913 4.518 -4.847 1.00 0.00 C ATOM 1012 CD LYS B 23 -10.135 4.209 -3.966 1.00 0.00 C ATOM 1013 CE LYS B 23 -9.925 4.563 -2.487 1.00 0.00 C ATOM 1014 NZ LYS B 23 -11.097 4.176 -1.658 1.00 0.00 N ATOM 0 H LYS B 23 -6.081 5.069 -5.258 1.00 0.00 H new ATOM 0 HA LYS B 23 -8.131 6.367 -6.835 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -7.851 6.078 -3.802 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -9.287 6.632 -4.639 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -9.164 4.314 -5.888 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -8.100 3.844 -4.577 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -10.996 4.760 -4.345 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -10.374 3.149 -4.048 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -9.033 4.058 -2.115 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -9.749 5.634 -2.391 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -10.919 4.430 -0.665 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -11.943 4.677 -1.998 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -11.250 3.150 -1.730 1.00 0.00 H new ATOM 1028 N LEU B 24 -6.028 8.213 -5.172 1.00 0.00 N ATOM 1029 CA LEU B 24 -5.475 9.565 -4.970 1.00 0.00 C ATOM 1030 C LEU B 24 -3.942 9.503 -4.889 1.00 0.00 C ATOM 1031 O LEU B 24 -3.402 8.443 -4.577 1.00 0.00 O ATOM 1032 CB LEU B 24 -6.069 10.176 -3.682 1.00 0.00 C ATOM 1033 CG LEU B 24 -5.864 11.696 -3.520 1.00 0.00 C ATOM 1034 CD1 LEU B 24 -6.499 12.513 -4.649 1.00 0.00 C ATOM 1035 CD2 LEU B 24 -6.494 12.144 -2.207 1.00 0.00 C ATOM 0 H LEU B 24 -5.419 7.487 -4.794 1.00 0.00 H new ATOM 0 HA LEU B 24 -5.744 10.198 -5.816 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -7.138 9.965 -3.659 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -5.626 9.672 -2.823 1.00 0.00 H new ATOM 0 HG LEU B 24 -4.789 11.873 -3.542 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -6.319 13.574 -4.476 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -6.058 12.221 -5.602 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -7.573 12.326 -4.674 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -6.354 13.218 -2.084 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -7.560 11.916 -2.218 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -6.020 11.619 -1.378 1.00 0.00 H new ATOM 1047 N VAL B 25 -3.241 10.612 -5.146 1.00 0.00 N ATOM 1048 CA VAL B 25 -1.770 10.660 -5.204 1.00 0.00 C ATOM 1049 C VAL B 25 -1.132 10.932 -3.841 1.00 0.00 C ATOM 1050 O VAL B 25 -1.529 11.824 -3.089 1.00 0.00 O ATOM 1051 CB VAL B 25 -1.264 11.680 -6.243 1.00 0.00 C ATOM 1052 CG1 VAL B 25 0.260 11.873 -6.189 1.00 0.00 C ATOM 1053 CG2 VAL B 25 -1.619 11.209 -7.658 1.00 0.00 C ATOM 0 H VAL B 25 -3.682 11.515 -5.322 1.00 0.00 H new ATOM 0 HA VAL B 25 -1.458 9.665 -5.520 1.00 0.00 H new ATOM 0 HB VAL B 25 -1.748 12.627 -6.003 1.00 0.00 H new ATOM 0 HG11 VAL B 25 0.561 12.602 -6.942 1.00 0.00 H new ATOM 0 HG12 VAL B 25 0.546 12.233 -5.201 1.00 0.00 H new ATOM 0 HG13 VAL B 25 0.754 10.922 -6.386 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -1.257 11.936 -8.385 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -1.152 10.243 -7.848 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -2.701 11.113 -7.749 1.00 0.00 H new ATOM 1063 N LEU B 26 -0.108 10.131 -3.560 1.00 0.00 N ATOM 1064 CA LEU B 26 0.798 10.173 -2.420 1.00 0.00 C ATOM 1065 C LEU B 26 2.260 10.113 -2.898 1.00 0.00 C ATOM 1066 O LEU B 26 2.549 9.677 -4.011 1.00 0.00 O ATOM 1067 CB LEU B 26 0.435 9.063 -1.415 1.00 0.00 C ATOM 1068 CG LEU B 26 -0.814 9.397 -0.566 1.00 0.00 C ATOM 1069 CD1 LEU B 26 -2.143 9.016 -1.230 1.00 0.00 C ATOM 1070 CD2 LEU B 26 -0.791 8.640 0.752 1.00 0.00 C ATOM 0 H LEU B 26 0.130 9.362 -4.187 1.00 0.00 H new ATOM 0 HA LEU B 26 0.687 11.119 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU B 26 0.260 8.134 -1.957 1.00 0.00 H new ATOM 0 HB3 LEU B 26 1.282 8.891 -0.751 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.765 10.478 -0.437 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -2.969 9.283 -0.571 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.245 9.551 -2.174 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.161 7.942 -1.418 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.679 8.891 1.331 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.777 7.568 0.556 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.100 8.917 1.315 1.00 0.00 H new ATOM 1082 N SER B 27 3.205 10.571 -2.079 1.00 0.00 N ATOM 1083 CA SER B 27 4.645 10.368 -2.304 1.00 0.00 C ATOM 1084 C SER B 27 5.144 9.178 -1.485 1.00 0.00 C ATOM 1085 O SER B 27 4.343 8.470 -0.875 1.00 0.00 O ATOM 1086 CB SER B 27 5.384 11.658 -1.958 1.00 0.00 C ATOM 1087 OG SER B 27 6.723 11.600 -2.422 1.00 0.00 O ATOM 0 H SER B 27 2.996 11.099 -1.231 1.00 0.00 H new ATOM 0 HA SER B 27 4.837 10.134 -3.351 1.00 0.00 H new ATOM 0 HB2 SER B 27 4.873 12.509 -2.408 1.00 0.00 H new ATOM 0 HB3 SER B 27 5.373 11.813 -0.879 1.00 0.00 H new ATOM 0 HG SER B 27 7.184 12.434 -2.195 1.00 0.00 H new ATOM 1093 N LYS B 28 6.461 8.959 -1.437 1.00 0.00 N ATOM 1094 CA LYS B 28 7.138 7.849 -0.740 1.00 0.00 C ATOM 1095 C LYS B 28 6.616 7.674 0.692 1.00 0.00 C ATOM 1096 O LYS B 28 6.247 6.570 1.123 1.00 0.00 O ATOM 1097 CB LYS B 28 8.652 8.163 -0.764 1.00 0.00 C ATOM 1098 CG LYS B 28 9.522 6.905 -0.684 1.00 0.00 C ATOM 1099 CD LYS B 28 11.017 7.250 -0.641 1.00 0.00 C ATOM 1100 CE LYS B 28 11.853 5.972 -0.785 1.00 0.00 C ATOM 1101 NZ LYS B 28 13.306 6.257 -0.656 1.00 0.00 N ATOM 0 H LYS B 28 7.122 9.579 -1.905 1.00 0.00 H new ATOM 0 HA LYS B 28 6.936 6.902 -1.241 1.00 0.00 H new ATOM 0 HB2 LYS B 28 8.891 8.707 -1.678 1.00 0.00 H new ATOM 0 HB3 LYS B 28 8.895 8.821 0.071 1.00 0.00 H new ATOM 0 HG2 LYS B 28 9.255 6.334 0.205 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.320 6.268 -1.545 1.00 0.00 H new ATOM 0 HD2 LYS B 28 11.261 7.947 -1.443 1.00 0.00 H new ATOM 0 HD3 LYS B 28 11.257 7.748 0.298 1.00 0.00 H new ATOM 0 HE2 LYS B 28 11.553 5.252 -0.024 1.00 0.00 H new ATOM 0 HE3 LYS B 28 11.655 5.513 -1.754 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 13.844 5.373 -0.758 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 13.596 6.926 -1.398 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 13.497 6.672 0.278 1.00 0.00 H new ATOM 1115 N GLU B 29 6.509 8.804 1.391 1.00 0.00 N ATOM 1116 CA GLU B 29 6.122 8.817 2.801 1.00 0.00 C ATOM 1117 C GLU B 29 4.601 8.728 2.969 1.00 0.00 C ATOM 1118 O GLU B 29 4.114 8.076 3.894 1.00 0.00 O ATOM 1119 CB GLU B 29 6.710 10.027 3.538 1.00 0.00 C ATOM 1120 CG GLU B 29 8.241 9.933 3.660 1.00 0.00 C ATOM 1121 CD GLU B 29 8.872 11.072 4.494 1.00 0.00 C ATOM 1122 OE1 GLU B 29 8.204 11.655 5.385 1.00 0.00 O ATOM 1123 OE2 GLU B 29 10.083 11.352 4.310 1.00 0.00 O ATOM 0 H GLU B 29 6.687 9.729 0.999 1.00 0.00 H new ATOM 0 HA GLU B 29 6.547 7.926 3.263 1.00 0.00 H new ATOM 0 HB2 GLU B 29 6.443 10.941 3.007 1.00 0.00 H new ATOM 0 HB3 GLU B 29 6.270 10.096 4.533 1.00 0.00 H new ATOM 0 HG2 GLU B 29 8.502 8.976 4.113 1.00 0.00 H new ATOM 0 HG3 GLU B 29 8.677 9.942 2.661 1.00 0.00 H new ATOM 1130 N GLY B 30 3.828 9.290 2.031 1.00 0.00 N ATOM 1131 CA GLY B 30 2.395 9.069 2.000 1.00 0.00 C ATOM 1132 C GLY B 30 2.061 7.591 1.774 1.00 0.00 C ATOM 1133 O GLY B 30 1.294 7.021 2.548 1.00 0.00 O ATOM 0 H GLY B 30 4.179 9.897 1.290 1.00 0.00 H new ATOM 0 HA2 GLY B 30 1.954 9.404 2.939 1.00 0.00 H new ATOM 0 HA3 GLY B 30 1.950 9.669 1.207 1.00 0.00 H new ATOM 1137 N ALA B 31 2.672 6.938 0.777 1.00 0.00 N ATOM 1138 CA ALA B 31 2.435 5.524 0.500 1.00 0.00 C ATOM 1139 C ALA B 31 2.779 4.676 1.734 1.00 0.00 C ATOM 1140 O ALA B 31 1.980 3.827 2.156 1.00 0.00 O ATOM 1141 CB ALA B 31 3.245 5.071 -0.732 1.00 0.00 C ATOM 0 H ALA B 31 3.341 7.377 0.145 1.00 0.00 H new ATOM 0 HA ALA B 31 1.378 5.382 0.275 1.00 0.00 H new ATOM 0 HB1 ALA B 31 3.056 4.015 -0.923 1.00 0.00 H new ATOM 0 HB2 ALA B 31 2.944 5.657 -1.601 1.00 0.00 H new ATOM 0 HB3 ALA B 31 4.308 5.221 -0.544 1.00 0.00 H new ATOM 1147 N GLU B 32 3.940 4.938 2.361 1.00 0.00 N ATOM 1148 CA GLU B 32 4.274 4.152 3.561 1.00 0.00 C ATOM 1149 C GLU B 32 3.302 4.425 4.735 1.00 0.00 C ATOM 1150 O GLU B 32 3.002 3.520 5.519 1.00 0.00 O ATOM 1151 CB GLU B 32 5.740 4.241 3.978 1.00 0.00 C ATOM 1152 CG GLU B 32 6.106 5.447 4.836 1.00 0.00 C ATOM 1153 CD GLU B 32 7.595 5.429 5.241 1.00 0.00 C ATOM 1154 OE1 GLU B 32 8.479 5.469 4.351 1.00 0.00 O ATOM 1155 OE2 GLU B 32 7.891 5.376 6.460 1.00 0.00 O ATOM 0 H GLU B 32 4.624 5.641 2.081 1.00 0.00 H new ATOM 0 HA GLU B 32 4.131 3.112 3.268 1.00 0.00 H new ATOM 0 HB2 GLU B 32 6.000 3.335 4.526 1.00 0.00 H new ATOM 0 HB3 GLU B 32 6.355 4.257 3.078 1.00 0.00 H new ATOM 0 HG2 GLU B 32 5.889 6.363 4.287 1.00 0.00 H new ATOM 0 HG3 GLU B 32 5.485 5.458 5.732 1.00 0.00 H new ATOM 1162 N GLN B 33 2.761 5.649 4.847 1.00 0.00 N ATOM 1163 CA GLN B 33 1.740 5.977 5.850 1.00 0.00 C ATOM 1164 C GLN B 33 0.413 5.249 5.590 1.00 0.00 C ATOM 1165 O GLN B 33 -0.223 4.775 6.536 1.00 0.00 O ATOM 1166 CB GLN B 33 1.563 7.504 5.940 1.00 0.00 C ATOM 1167 CG GLN B 33 0.776 7.960 7.181 1.00 0.00 C ATOM 1168 CD GLN B 33 1.532 7.701 8.484 1.00 0.00 C ATOM 1169 OE1 GLN B 33 1.285 6.744 9.205 1.00 0.00 O ATOM 1170 NE2 GLN B 33 2.493 8.530 8.835 1.00 0.00 N ATOM 0 H GLN B 33 3.018 6.433 4.248 1.00 0.00 H new ATOM 0 HA GLN B 33 2.086 5.618 6.819 1.00 0.00 H new ATOM 0 HB2 GLN B 33 2.546 7.975 5.950 1.00 0.00 H new ATOM 0 HB3 GLN B 33 1.050 7.855 5.045 1.00 0.00 H new ATOM 0 HG2 GLN B 33 0.558 9.025 7.097 1.00 0.00 H new ATOM 0 HG3 GLN B 33 -0.181 7.440 7.211 1.00 0.00 H new ATOM 0 HE21 GLN B 33 2.714 9.334 8.247 1.00 0.00 H new ATOM 0 HE22 GLN B 33 3.017 8.369 9.695 1.00 0.00 H new ATOM 1179 N ILE B 34 0.034 5.044 4.323 1.00 0.00 N ATOM 1180 CA ILE B 34 -1.097 4.151 4.012 1.00 0.00 C ATOM 1181 C ILE B 34 -0.771 2.743 4.488 1.00 0.00 C ATOM 1182 O ILE B 34 -1.617 2.121 5.115 1.00 0.00 O ATOM 1183 CB ILE B 34 -1.498 4.094 2.530 1.00 0.00 C ATOM 1184 CG1 ILE B 34 -1.848 5.494 2.015 1.00 0.00 C ATOM 1185 CG2 ILE B 34 -2.729 3.162 2.419 1.00 0.00 C ATOM 1186 CD1 ILE B 34 -1.979 5.504 0.489 1.00 0.00 C ATOM 0 H ILE B 34 0.479 5.471 3.511 1.00 0.00 H new ATOM 0 HA ILE B 34 -1.953 4.575 4.536 1.00 0.00 H new ATOM 0 HB ILE B 34 -0.672 3.716 1.927 1.00 0.00 H new ATOM 0 HG12 ILE B 34 -2.783 5.827 2.465 1.00 0.00 H new ATOM 0 HG13 ILE B 34 -1.077 6.201 2.321 1.00 0.00 H new ATOM 0 HG21 ILE B 34 -3.043 3.097 1.377 1.00 0.00 H new ATOM 0 HG22 ILE B 34 -2.467 2.168 2.782 1.00 0.00 H new ATOM 0 HG23 ILE B 34 -3.545 3.564 3.020 1.00 0.00 H new ATOM 0 HD11 ILE B 34 -2.228 6.510 0.152 1.00 0.00 H new ATOM 0 HD12 ILE B 34 -1.035 5.194 0.041 1.00 0.00 H new ATOM 0 HD13 ILE B 34 -2.768 4.815 0.187 1.00 0.00 H new ATOM 1198 N ILE B 35 0.435 2.227 4.242 1.00 0.00 N ATOM 1199 CA ILE B 35 0.771 0.888 4.758 1.00 0.00 C ATOM 1200 C ILE B 35 0.743 0.787 6.278 1.00 0.00 C ATOM 1201 O ILE B 35 0.343 -0.250 6.807 1.00 0.00 O ATOM 1202 CB ILE B 35 2.048 0.333 4.118 1.00 0.00 C ATOM 1203 CG1 ILE B 35 1.658 -0.887 3.263 1.00 0.00 C ATOM 1204 CG2 ILE B 35 3.202 -0.010 5.083 1.00 0.00 C ATOM 1205 CD1 ILE B 35 1.213 -2.100 4.079 1.00 0.00 C ATOM 0 H ILE B 35 1.173 2.690 3.711 1.00 0.00 H new ATOM 0 HA ILE B 35 -0.036 0.228 4.442 1.00 0.00 H new ATOM 0 HB ILE B 35 2.466 1.139 3.515 1.00 0.00 H new ATOM 0 HG12 ILE B 35 0.852 -0.601 2.587 1.00 0.00 H new ATOM 0 HG13 ILE B 35 2.509 -1.171 2.643 1.00 0.00 H new ATOM 0 HG21 ILE B 35 4.050 -0.393 4.515 1.00 0.00 H new ATOM 0 HG22 ILE B 35 3.503 0.887 5.623 1.00 0.00 H new ATOM 0 HG23 ILE B 35 2.869 -0.767 5.793 1.00 0.00 H new ATOM 0 HD11 ILE B 35 0.955 -2.917 3.405 1.00 0.00 H new ATOM 0 HD12 ILE B 35 2.024 -2.414 4.736 1.00 0.00 H new ATOM 0 HD13 ILE B 35 0.342 -1.836 4.678 1.00 0.00 H new ATOM 1217 N SER B 36 1.071 1.871 6.977 1.00 0.00 N ATOM 1218 CA SER B 36 0.837 1.946 8.417 1.00 0.00 C ATOM 1219 C SER B 36 -0.657 1.783 8.714 1.00 0.00 C ATOM 1220 O SER B 36 -1.017 0.916 9.511 1.00 0.00 O ATOM 1221 CB SER B 36 1.388 3.246 9.008 1.00 0.00 C ATOM 1222 OG SER B 36 1.389 3.161 10.423 1.00 0.00 O ATOM 0 H SER B 36 1.497 2.705 6.573 1.00 0.00 H new ATOM 0 HA SER B 36 1.375 1.128 8.897 1.00 0.00 H new ATOM 0 HB2 SER B 36 2.400 3.423 8.643 1.00 0.00 H new ATOM 0 HB3 SER B 36 0.780 4.091 8.685 1.00 0.00 H new ATOM 0 HG SER B 36 1.744 3.993 10.800 1.00 0.00 H new ATOM 1228 N GLU B 37 -1.544 2.499 8.008 1.00 0.00 N ATOM 1229 CA GLU B 37 -2.999 2.345 8.182 1.00 0.00 C ATOM 1230 C GLU B 37 -3.475 0.924 7.824 1.00 0.00 C ATOM 1231 O GLU B 37 -4.192 0.306 8.609 1.00 0.00 O ATOM 1232 CB GLU B 37 -3.777 3.386 7.354 1.00 0.00 C ATOM 1233 CG GLU B 37 -3.541 4.847 7.761 1.00 0.00 C ATOM 1234 CD GLU B 37 -4.206 5.188 9.109 1.00 0.00 C ATOM 1235 OE1 GLU B 37 -3.555 5.037 10.171 1.00 0.00 O ATOM 1236 OE2 GLU B 37 -5.382 5.626 9.111 1.00 0.00 O ATOM 0 H GLU B 37 -1.280 3.193 7.309 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.206 2.514 9.239 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -3.507 3.269 6.305 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -4.842 3.170 7.435 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -2.470 5.036 7.828 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -3.933 5.506 6.987 1.00 0.00 H new ATOM 1243 N ILE B 38 -3.041 0.364 6.688 1.00 0.00 N ATOM 1244 CA ILE B 38 -3.441 -0.969 6.213 1.00 0.00 C ATOM 1245 C ILE B 38 -3.040 -2.062 7.220 1.00 0.00 C ATOM 1246 O ILE B 38 -3.881 -2.830 7.700 1.00 0.00 O ATOM 1247 CB ILE B 38 -2.838 -1.173 4.801 1.00 0.00 C ATOM 1248 CG1 ILE B 38 -3.652 -0.385 3.749 1.00 0.00 C ATOM 1249 CG2 ILE B 38 -2.734 -2.638 4.408 1.00 0.00 C ATOM 1250 CD1 ILE B 38 -3.081 -0.435 2.321 1.00 0.00 C ATOM 0 H ILE B 38 -2.389 0.833 6.060 1.00 0.00 H new ATOM 0 HA ILE B 38 -4.526 -1.045 6.136 1.00 0.00 H new ATOM 0 HB ILE B 38 -1.820 -0.786 4.834 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -4.670 -0.774 3.732 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -3.714 0.657 4.064 1.00 0.00 H new ATOM 0 HG21 ILE B 38 -2.305 -2.717 3.409 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -2.096 -3.161 5.120 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -3.727 -3.087 4.413 1.00 0.00 H new ATOM 0 HD11 ILE B 38 -3.718 0.146 1.654 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -2.075 -0.017 2.317 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -3.045 -1.469 1.979 1.00 0.00 H new ATOM 1262 N GLN B 39 -1.766 -2.090 7.614 1.00 0.00 N ATOM 1263 CA GLN B 39 -1.267 -3.083 8.564 1.00 0.00 C ATOM 1264 C GLN B 39 -1.935 -2.916 9.938 1.00 0.00 C ATOM 1265 O GLN B 39 -2.249 -3.909 10.601 1.00 0.00 O ATOM 1266 CB GLN B 39 0.256 -2.981 8.687 1.00 0.00 C ATOM 1267 CG GLN B 39 1.050 -3.608 7.525 1.00 0.00 C ATOM 1268 CD GLN B 39 2.492 -3.922 7.932 1.00 0.00 C ATOM 1269 OE1 GLN B 39 3.151 -3.186 8.655 1.00 0.00 O ATOM 1270 NE2 GLN B 39 3.029 -5.036 7.489 1.00 0.00 N ATOM 0 H GLN B 39 -1.058 -1.432 7.287 1.00 0.00 H new ATOM 0 HA GLN B 39 -1.521 -4.074 8.188 1.00 0.00 H new ATOM 0 HB2 GLN B 39 0.529 -1.929 8.766 1.00 0.00 H new ATOM 0 HB3 GLN B 39 0.563 -3.461 9.616 1.00 0.00 H new ATOM 0 HG2 GLN B 39 0.556 -4.523 7.198 1.00 0.00 H new ATOM 0 HG3 GLN B 39 1.052 -2.926 6.675 1.00 0.00 H new ATOM 0 HE21 GLN B 39 2.490 -5.657 6.886 1.00 0.00 H new ATOM 0 HE22 GLN B 39 3.985 -5.280 7.748 1.00 0.00 H new ATOM 1279 N ASN B 40 -2.242 -1.675 10.329 1.00 0.00 N ATOM 1280 CA ASN B 40 -3.068 -1.407 11.509 1.00 0.00 C ATOM 1281 C ASN B 40 -4.527 -1.867 11.341 1.00 0.00 C ATOM 1282 O ASN B 40 -5.121 -2.263 12.342 1.00 0.00 O ATOM 1283 CB ASN B 40 -2.995 0.079 11.890 1.00 0.00 C ATOM 1284 CG ASN B 40 -1.816 0.371 12.806 1.00 0.00 C ATOM 1285 OD1 ASN B 40 -1.864 0.128 14.004 1.00 0.00 O ATOM 1286 ND2 ASN B 40 -0.728 0.890 12.293 1.00 0.00 N ATOM 0 H ASN B 40 -1.928 -0.836 9.841 1.00 0.00 H new ATOM 0 HA ASN B 40 -2.656 -2.001 12.325 1.00 0.00 H new ATOM 0 HB2 ASN B 40 -2.911 0.682 10.986 1.00 0.00 H new ATOM 0 HB3 ASN B 40 -3.921 0.373 12.384 1.00 0.00 H new ATOM 0 HD21 ASN B 40 0.073 1.089 12.892 1.00 0.00 H new ATOM 0 HD22 ASN B 40 -0.682 1.095 11.295 1.00 0.00 H new ATOM 1293 N GLN B 41 -5.112 -1.885 10.137 1.00 0.00 N ATOM 1294 CA GLN B 41 -6.471 -2.402 9.925 1.00 0.00 C ATOM 1295 C GLN B 41 -6.517 -3.928 10.033 1.00 0.00 C ATOM 1296 O GLN B 41 -7.481 -4.461 10.588 1.00 0.00 O ATOM 1297 CB GLN B 41 -7.076 -1.928 8.592 1.00 0.00 C ATOM 1298 CG GLN B 41 -7.384 -0.420 8.562 1.00 0.00 C ATOM 1299 CD GLN B 41 -8.743 -0.121 7.934 1.00 0.00 C ATOM 1300 OE1 GLN B 41 -8.861 0.262 6.777 1.00 0.00 O ATOM 1301 NE2 GLN B 41 -9.821 -0.295 8.669 1.00 0.00 N ATOM 0 H GLN B 41 -4.661 -1.544 9.288 1.00 0.00 H new ATOM 0 HA GLN B 41 -7.086 -1.988 10.724 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -6.385 -2.166 7.783 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -7.995 -2.483 8.401 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -7.361 -0.026 9.578 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -6.605 0.097 8.002 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -9.734 -0.614 9.634 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -10.743 -0.111 8.274 1.00 0.00 H new ATOM 1310 N LEU B 42 -5.459 -4.632 9.602 1.00 0.00 N ATOM 1311 CA LEU B 42 -5.328 -6.061 9.945 1.00 0.00 C ATOM 1312 C LEU B 42 -5.151 -6.275 11.458 1.00 0.00 C ATOM 1313 O LEU B 42 -5.758 -7.180 12.030 1.00 0.00 O ATOM 1314 CB LEU B 42 -4.218 -6.717 9.108 1.00 0.00 C ATOM 1315 CG LEU B 42 -4.156 -8.262 9.230 1.00 0.00 C ATOM 1316 CD1 LEU B 42 -3.687 -8.891 7.922 1.00 0.00 C ATOM 1317 CD2 LEU B 42 -3.172 -8.703 10.318 1.00 0.00 C ATOM 0 H LEU B 42 -4.702 -4.253 9.033 1.00 0.00 H new ATOM 0 HA LEU B 42 -6.261 -6.563 9.688 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -4.364 -6.452 8.061 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -3.257 -6.301 9.411 1.00 0.00 H new ATOM 0 HG LEU B 42 -5.165 -8.590 9.481 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -3.651 -9.975 8.032 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -4.381 -8.630 7.123 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -2.693 -8.518 7.675 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -3.156 -9.791 10.374 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -2.174 -8.337 10.076 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -3.485 -8.295 11.279 1.00 0.00 H new ATOM 1329 N GLN B 43 -4.350 -5.429 12.113 1.00 0.00 N ATOM 1330 CA GLN B 43 -4.018 -5.571 13.536 1.00 0.00 C ATOM 1331 C GLN B 43 -5.196 -5.280 14.493 1.00 0.00 C ATOM 1332 O GLN B 43 -5.447 -6.075 15.401 1.00 0.00 O ATOM 1333 CB GLN B 43 -2.798 -4.686 13.838 1.00 0.00 C ATOM 1334 CG GLN B 43 -2.176 -4.952 15.215 1.00 0.00 C ATOM 1335 CD GLN B 43 -0.848 -4.213 15.360 1.00 0.00 C ATOM 1336 OE1 GLN B 43 0.188 -4.661 14.883 1.00 0.00 O ATOM 1337 NE2 GLN B 43 -0.821 -3.050 15.973 1.00 0.00 N ATOM 0 H GLN B 43 -3.911 -4.622 11.670 1.00 0.00 H new ATOM 0 HA GLN B 43 -3.781 -6.618 13.723 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -2.042 -4.848 13.069 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -3.095 -3.639 13.778 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -2.863 -4.632 15.998 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -2.018 -6.022 15.348 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -1.676 -2.665 16.375 1.00 0.00 H new ATOM 0 HE22 GLN B 43 0.055 -2.533 16.047 1.00 0.00 H new