USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 582 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 37 THR OG1 : rot -54:sc= 0.682 USER MOD Set 1.2: A 77 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 31 ASN : amide:sc= 0.558 K(o=1.2,f=-0.62) USER MOD Set 2.3: A 42 SER OG : rot -107:sc= 0.677 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -170:sc= 0.212 (180deg=0.182) USER MOD Single : A 28 ASN : amide:sc=-0.00336 X(o=-0.0034,f=-0.3) USER MOD Single : A 35 CYS SG : rot 180:sc= 0.0546 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0242) USER MOD Single : A 51 GLN :FLIP amide:sc= -0.291 F(o=-2.3,f=-0.29) USER MOD Single : A 55 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0038) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 76:sc= 1.23 USER MOD Single : A 70 GLN : amide:sc= -0.215 X(o=-0.21,f=-0.28) USER MOD Single : A 75 THR OG1 : rot -19:sc= 0.145 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -149:sc= 0 (180deg=-0.202) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 15 -2.322 7.804 10.878 1.00 0.00 N ATOM 2 CA MET A 15 -1.192 7.372 10.070 1.00 0.00 C ATOM 3 C MET A 15 -1.636 6.350 9.048 1.00 0.00 C ATOM 4 O MET A 15 -1.350 6.574 7.885 1.00 0.00 O ATOM 5 CB MET A 15 -0.034 6.849 10.959 1.00 0.00 C ATOM 6 CG MET A 15 0.434 7.945 11.964 1.00 0.00 C ATOM 7 SD MET A 15 0.620 7.270 13.651 1.00 0.00 S ATOM 8 CE MET A 15 -1.067 7.485 14.308 1.00 0.00 C ATOM 0 HA MET A 15 -0.803 8.233 9.526 1.00 0.00 H new ATOM 0 HB2 MET A 15 -0.361 5.964 11.506 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.803 6.544 10.331 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.384 8.363 11.631 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.288 8.762 11.975 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.108 7.117 15.333 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.332 8.542 14.291 1.00 0.00 H new ATOM 0 HE3 MET A 15 -1.771 6.925 13.693 1.00 0.00 H new ATOM 18 N ALA A 16 -2.338 5.249 9.413 1.00 0.00 N ATOM 19 CA ALA A 16 -2.825 4.322 8.388 1.00 0.00 C ATOM 20 C ALA A 16 -3.457 5.045 7.210 1.00 0.00 C ATOM 21 O ALA A 16 -3.089 4.691 6.099 1.00 0.00 O ATOM 22 CB ALA A 16 -3.783 3.214 8.917 1.00 0.00 C ATOM 0 H ALA A 16 -2.568 4.996 10.374 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.925 3.811 8.048 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.093 2.575 8.090 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.266 2.613 9.666 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.662 3.677 9.367 1.00 0.00 H new ATOM 28 N PRO A 17 -4.378 6.041 7.334 1.00 0.00 N ATOM 29 CA PRO A 17 -4.911 6.678 6.136 1.00 0.00 C ATOM 30 C PRO A 17 -3.877 7.524 5.436 1.00 0.00 C ATOM 31 O PRO A 17 -3.836 7.502 4.216 1.00 0.00 O ATOM 32 CB PRO A 17 -6.068 7.515 6.729 1.00 0.00 C ATOM 33 CG PRO A 17 -5.688 7.772 8.203 1.00 0.00 C ATOM 34 CD PRO A 17 -4.909 6.497 8.616 1.00 0.00 C ATOM 0 HA PRO A 17 -5.228 5.981 5.360 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.190 8.453 6.187 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.015 6.980 6.657 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.074 8.666 8.307 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.572 7.918 8.824 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.117 6.716 9.332 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.558 5.753 9.077 1.00 0.00 H new ATOM 42 N ALA A 18 -3.025 8.270 6.173 1.00 0.00 N ATOM 43 CA ALA A 18 -1.998 9.060 5.502 1.00 0.00 C ATOM 44 C ALA A 18 -1.010 8.140 4.828 1.00 0.00 C ATOM 45 O ALA A 18 -0.441 8.531 3.821 1.00 0.00 O ATOM 46 CB ALA A 18 -1.195 9.924 6.508 1.00 0.00 C ATOM 0 H ALA A 18 -3.033 8.335 7.191 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.506 9.704 4.784 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.439 10.498 5.972 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.872 10.606 7.023 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.709 9.276 7.237 1.00 0.00 H new ATOM 52 N LEU A 19 -0.779 6.925 5.380 1.00 0.00 N ATOM 53 CA LEU A 19 0.264 6.064 4.848 1.00 0.00 C ATOM 54 C LEU A 19 -0.341 5.495 3.589 1.00 0.00 C ATOM 55 O LEU A 19 0.155 5.870 2.541 1.00 0.00 O ATOM 56 CB LEU A 19 0.780 5.009 5.874 1.00 0.00 C ATOM 57 CG LEU A 19 2.308 4.694 5.828 1.00 0.00 C ATOM 58 CD1 LEU A 19 2.786 4.391 4.389 1.00 0.00 C ATOM 59 CD2 LEU A 19 3.194 5.800 6.468 1.00 0.00 C ATOM 0 H LEU A 19 -1.294 6.541 6.172 1.00 0.00 H new ATOM 0 HA LEU A 19 1.185 6.603 4.627 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.532 5.356 6.877 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.233 4.080 5.714 1.00 0.00 H new ATOM 0 HG LEU A 19 2.433 3.800 6.438 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.855 4.177 4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.246 3.528 4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.595 5.255 3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.243 5.511 6.399 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.041 6.740 5.939 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.920 5.925 7.516 1.00 0.00 H new ATOM 71 N VAL A 20 -1.409 4.656 3.633 1.00 0.00 N ATOM 72 CA VAL A 20 -1.974 4.118 2.388 1.00 0.00 C ATOM 73 C VAL A 20 -2.090 5.222 1.356 1.00 0.00 C ATOM 74 O VAL A 20 -1.868 4.967 0.182 1.00 0.00 O ATOM 75 CB VAL A 20 -3.332 3.360 2.552 1.00 0.00 C ATOM 76 CG1 VAL A 20 -4.505 4.341 2.808 1.00 0.00 C ATOM 77 CG2 VAL A 20 -3.661 2.468 1.317 1.00 0.00 C ATOM 0 H VAL A 20 -1.875 4.352 4.488 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.273 3.355 2.049 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.214 2.713 3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.432 3.779 2.917 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.314 4.906 3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.594 5.029 1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.613 1.962 1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.727 3.091 0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.873 1.726 1.184 1.00 0.00 H new ATOM 87 N ALA A 21 -2.421 6.465 1.787 1.00 0.00 N ATOM 88 CA ALA A 21 -2.499 7.567 0.837 1.00 0.00 C ATOM 89 C ALA A 21 -1.132 7.881 0.260 1.00 0.00 C ATOM 90 O ALA A 21 -1.041 8.141 -0.930 1.00 0.00 O ATOM 91 CB ALA A 21 -3.093 8.862 1.450 1.00 0.00 C ATOM 0 H ALA A 21 -2.629 6.710 2.755 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.174 7.230 0.050 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.123 9.643 0.691 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.103 8.665 1.808 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.470 9.189 2.283 1.00 0.00 H new ATOM 97 N ALA A 22 -0.063 7.861 1.089 1.00 0.00 N ATOM 98 CA ALA A 22 1.284 8.173 0.615 1.00 0.00 C ATOM 99 C ALA A 22 1.683 7.501 -0.685 1.00 0.00 C ATOM 100 O ALA A 22 2.525 8.069 -1.362 1.00 0.00 O ATOM 101 CB ALA A 22 2.377 7.776 1.643 1.00 0.00 C ATOM 0 H ALA A 22 -0.117 7.632 2.082 1.00 0.00 H new ATOM 0 HA ALA A 22 1.230 9.251 0.462 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.360 8.028 1.245 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.214 8.317 2.575 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.326 6.704 1.832 1.00 0.00 H new ATOM 107 N PHE A 23 1.124 6.314 -1.037 1.00 0.00 N ATOM 108 CA PHE A 23 1.466 5.643 -2.300 1.00 0.00 C ATOM 109 C PHE A 23 0.207 5.278 -3.067 1.00 0.00 C ATOM 110 O PHE A 23 0.107 5.647 -4.227 1.00 0.00 O ATOM 111 CB PHE A 23 2.349 4.407 -1.998 1.00 0.00 C ATOM 112 CG PHE A 23 3.217 3.780 -3.090 1.00 0.00 C ATOM 113 CD1 PHE A 23 3.413 4.329 -4.362 1.00 0.00 C ATOM 114 CD2 PHE A 23 3.860 2.578 -2.757 1.00 0.00 C ATOM 115 CE1 PHE A 23 4.275 3.690 -5.247 1.00 0.00 C ATOM 116 CE2 PHE A 23 4.743 1.963 -3.649 1.00 0.00 C ATOM 117 CZ PHE A 23 5.004 2.561 -4.883 1.00 0.00 C ATOM 0 H PHE A 23 0.443 5.814 -0.465 1.00 0.00 H new ATOM 0 HA PHE A 23 2.036 6.319 -2.937 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.013 4.680 -1.178 1.00 0.00 H new ATOM 0 HB3 PHE A 23 1.688 3.624 -1.625 1.00 0.00 H new ATOM 0 HD1 PHE A 23 2.903 5.235 -4.652 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.670 2.121 -1.797 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.382 4.082 -6.248 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.220 1.031 -3.385 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.757 2.156 -5.543 1.00 0.00 H new ATOM 127 N GLY A 24 -0.773 4.567 -2.453 1.00 0.00 N ATOM 128 CA GLY A 24 -2.030 4.277 -3.142 1.00 0.00 C ATOM 129 C GLY A 24 -2.920 5.488 -3.320 1.00 0.00 C ATOM 130 O GLY A 24 -3.805 5.422 -4.160 1.00 0.00 O ATOM 0 H GLY A 24 -0.709 4.197 -1.505 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.808 3.853 -4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.574 3.517 -2.582 1.00 0.00 H new ATOM 134 N GLY A 25 -2.715 6.591 -2.557 1.00 0.00 N ATOM 135 CA GLY A 25 -3.478 7.821 -2.791 1.00 0.00 C ATOM 136 C GLY A 25 -2.695 8.806 -3.622 1.00 0.00 C ATOM 137 O GLY A 25 -3.093 9.960 -3.684 1.00 0.00 O ATOM 0 H GLY A 25 -2.041 6.645 -1.793 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.413 7.580 -3.296 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.739 8.276 -1.836 1.00 0.00 H new ATOM 141 N LYS A 26 -1.598 8.375 -4.283 1.00 0.00 N ATOM 142 CA LYS A 26 -0.869 9.276 -5.165 1.00 0.00 C ATOM 143 C LYS A 26 -1.560 9.130 -6.500 1.00 0.00 C ATOM 144 O LYS A 26 -1.023 8.484 -7.383 1.00 0.00 O ATOM 145 CB LYS A 26 0.617 8.852 -5.261 1.00 0.00 C ATOM 146 CG LYS A 26 1.375 8.863 -3.911 1.00 0.00 C ATOM 147 CD LYS A 26 1.611 10.285 -3.317 1.00 0.00 C ATOM 148 CE LYS A 26 3.092 10.582 -2.908 1.00 0.00 C ATOM 149 NZ LYS A 26 3.212 10.945 -1.477 1.00 0.00 N ATOM 0 H LYS A 26 -1.215 7.432 -4.218 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.871 10.307 -4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.669 7.849 -5.685 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.128 9.518 -5.956 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.815 8.269 -3.189 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.340 8.374 -4.046 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.294 11.028 -4.049 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.974 10.409 -2.441 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.707 9.705 -3.112 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.481 11.394 -3.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.172 11.296 -1.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.521 11.687 -1.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.027 10.107 -0.890 1.00 0.00 H new ATOM 163 N GLU A 27 -2.770 9.706 -6.663 1.00 0.00 N ATOM 164 CA GLU A 27 -3.526 9.499 -7.905 1.00 0.00 C ATOM 165 C GLU A 27 -2.651 9.752 -9.120 1.00 0.00 C ATOM 166 O GLU A 27 -2.795 9.045 -10.106 1.00 0.00 O ATOM 167 CB GLU A 27 -4.866 10.310 -7.953 1.00 0.00 C ATOM 168 CG GLU A 27 -4.911 11.388 -9.070 1.00 0.00 C ATOM 169 CD GLU A 27 -6.182 12.202 -9.029 1.00 0.00 C ATOM 170 OE1 GLU A 27 -6.678 12.498 -7.909 1.00 0.00 O ATOM 171 OE2 GLU A 27 -6.697 12.561 -10.124 1.00 0.00 O ATOM 0 H GLU A 27 -3.229 10.299 -5.971 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.826 8.451 -7.924 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.694 9.616 -8.098 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.021 10.794 -6.989 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.053 12.052 -8.966 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.823 10.904 -10.043 1.00 0.00 H new ATOM 178 N ASN A 28 -1.730 10.745 -9.054 1.00 0.00 N ATOM 179 CA ASN A 28 -0.823 11.036 -10.174 1.00 0.00 C ATOM 180 C ASN A 28 -0.233 9.795 -10.821 1.00 0.00 C ATOM 181 O ASN A 28 0.024 9.810 -12.015 1.00 0.00 O ATOM 182 CB ASN A 28 0.367 11.895 -9.666 1.00 0.00 C ATOM 183 CG ASN A 28 1.328 12.240 -10.780 1.00 0.00 C ATOM 184 OD1 ASN A 28 0.871 12.587 -11.858 1.00 0.00 O ATOM 185 ND2 ASN A 28 2.660 12.164 -10.559 1.00 0.00 N ATOM 0 H ASN A 28 -1.602 11.349 -8.242 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.427 11.555 -10.918 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.013 12.813 -9.217 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.898 11.353 -8.883 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.315 12.400 -11.304 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.010 11.871 -9.647 1.00 0.00 H new ATOM 192 N ILE A 29 -0.022 8.738 -10.006 1.00 0.00 N ATOM 193 CA ILE A 29 0.465 7.420 -10.446 1.00 0.00 C ATOM 194 C ILE A 29 0.348 6.963 -11.897 1.00 0.00 C ATOM 195 O ILE A 29 -0.470 7.476 -12.643 1.00 0.00 O ATOM 196 CB ILE A 29 -0.198 6.375 -9.484 1.00 0.00 C ATOM 197 CG1 ILE A 29 0.621 6.030 -8.190 1.00 0.00 C ATOM 198 CG2 ILE A 29 -0.717 5.085 -10.177 1.00 0.00 C ATOM 199 CD1 ILE A 29 1.834 6.945 -7.825 1.00 0.00 C ATOM 0 H ILE A 29 -0.191 8.783 -9.001 1.00 0.00 H new ATOM 0 HA ILE A 29 1.550 7.513 -10.396 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.076 6.926 -9.146 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.069 6.037 -7.346 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.991 5.010 -8.291 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.158 4.424 -9.431 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.470 5.349 -10.919 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.113 4.576 -10.667 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.300 6.583 -6.908 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.563 6.924 -8.635 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.487 7.967 -7.676 1.00 0.00 H new ATOM 211 N THR A 30 1.191 5.962 -12.281 1.00 0.00 N ATOM 212 CA THR A 30 1.300 5.488 -13.666 1.00 0.00 C ATOM 213 C THR A 30 0.674 4.106 -13.849 1.00 0.00 C ATOM 214 O THR A 30 -0.203 4.009 -14.698 1.00 0.00 O ATOM 215 CB THR A 30 2.756 5.632 -14.238 1.00 0.00 C ATOM 216 OG1 THR A 30 3.119 4.535 -15.094 1.00 0.00 O ATOM 217 CG2 THR A 30 3.855 5.795 -13.157 1.00 0.00 C ATOM 0 H THR A 30 1.806 5.472 -11.631 1.00 0.00 H new ATOM 0 HA THR A 30 0.700 6.152 -14.289 1.00 0.00 H new ATOM 0 HB THR A 30 2.713 6.557 -14.813 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.031 4.668 -15.427 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.828 5.888 -13.639 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.655 6.690 -12.567 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.855 4.922 -12.504 1.00 0.00 H new ATOM 225 N ASN A 31 1.041 3.009 -13.130 1.00 0.00 N ATOM 226 CA ASN A 31 0.366 1.714 -13.364 1.00 0.00 C ATOM 227 C ASN A 31 0.338 0.815 -12.138 1.00 0.00 C ATOM 228 O ASN A 31 1.407 0.598 -11.595 1.00 0.00 O ATOM 229 CB ASN A 31 0.965 0.886 -14.546 1.00 0.00 C ATOM 230 CG ASN A 31 2.230 1.495 -15.095 1.00 0.00 C ATOM 231 OD1 ASN A 31 3.213 1.533 -14.370 1.00 0.00 O ATOM 232 ND2 ASN A 31 2.249 1.983 -16.356 1.00 0.00 N ATOM 0 H ASN A 31 1.769 2.997 -12.415 1.00 0.00 H new ATOM 0 HA ASN A 31 -0.649 2.017 -13.621 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.172 -0.129 -14.206 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.226 0.811 -15.344 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.102 2.399 -16.729 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.410 1.935 -16.934 1.00 0.00 H new ATOM 239 N LEU A 32 -0.837 0.278 -11.710 1.00 0.00 N ATOM 240 CA LEU A 32 -0.942 -0.602 -10.534 1.00 0.00 C ATOM 241 C LEU A 32 -1.489 -1.941 -10.996 1.00 0.00 C ATOM 242 O LEU A 32 -1.943 -2.034 -12.125 1.00 0.00 O ATOM 243 CB LEU A 32 -1.929 0.015 -9.486 1.00 0.00 C ATOM 244 CG LEU A 32 -1.315 1.107 -8.557 1.00 0.00 C ATOM 245 CD1 LEU A 32 -0.290 1.992 -9.303 1.00 0.00 C ATOM 246 CD2 LEU A 32 -2.408 2.003 -7.908 1.00 0.00 C ATOM 0 H LEU A 32 -1.729 0.448 -12.175 1.00 0.00 H new ATOM 0 HA LEU A 32 0.038 -0.719 -10.071 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.775 0.448 -10.019 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.322 -0.789 -8.864 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.795 0.569 -7.764 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.112 2.739 -8.618 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.522 1.370 -9.679 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.781 2.492 -10.138 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.935 2.749 -7.269 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.979 2.504 -8.690 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.077 1.385 -7.309 1.00 0.00 H new ATOM 258 N ASP A 33 -1.453 -2.976 -10.121 1.00 0.00 N ATOM 259 CA ASP A 33 -2.043 -4.285 -10.421 1.00 0.00 C ATOM 260 C ASP A 33 -2.824 -4.706 -9.187 1.00 0.00 C ATOM 261 O ASP A 33 -2.352 -5.526 -8.414 1.00 0.00 O ATOM 262 CB ASP A 33 -0.967 -5.333 -10.829 1.00 0.00 C ATOM 263 CG ASP A 33 -0.629 -5.336 -12.299 1.00 0.00 C ATOM 264 OD1 ASP A 33 -0.172 -4.278 -12.805 1.00 0.00 O ATOM 265 OD2 ASP A 33 -0.807 -6.398 -12.959 1.00 0.00 O ATOM 0 H ASP A 33 -1.017 -2.919 -9.200 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.706 -4.219 -11.284 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.057 -5.143 -10.259 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.318 -6.326 -10.547 1.00 0.00 H new ATOM 270 N ALA A 34 -4.038 -4.140 -8.987 1.00 0.00 N ATOM 271 CA ALA A 34 -4.858 -4.530 -7.841 1.00 0.00 C ATOM 272 C ALA A 34 -5.334 -5.959 -7.995 1.00 0.00 C ATOM 273 O ALA A 34 -5.499 -6.387 -9.126 1.00 0.00 O ATOM 274 CB ALA A 34 -6.074 -3.592 -7.644 1.00 0.00 C ATOM 0 H ALA A 34 -4.453 -3.432 -9.592 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.228 -4.447 -6.955 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.652 -3.922 -6.781 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.724 -2.573 -7.478 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.703 -3.619 -8.534 1.00 0.00 H new ATOM 280 N CYS A 35 -5.567 -6.710 -6.888 1.00 0.00 N ATOM 281 CA CYS A 35 -6.028 -8.098 -7.020 1.00 0.00 C ATOM 282 C CYS A 35 -6.486 -8.680 -5.684 1.00 0.00 C ATOM 283 O CYS A 35 -6.387 -7.992 -4.680 1.00 0.00 O ATOM 284 CB CYS A 35 -4.902 -8.967 -7.649 1.00 0.00 C ATOM 285 SG CYS A 35 -5.555 -10.296 -8.724 1.00 0.00 S ATOM 0 H CYS A 35 -5.446 -6.384 -5.929 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.896 -8.104 -7.679 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.237 -8.328 -8.231 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.303 -9.410 -6.853 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.566 -10.980 -9.217 1.00 0.00 H new ATOM 291 N ILE A 36 -6.993 -9.939 -5.666 1.00 0.00 N ATOM 292 CA ILE A 36 -7.573 -10.553 -4.464 1.00 0.00 C ATOM 293 C ILE A 36 -6.986 -10.091 -3.133 1.00 0.00 C ATOM 294 O ILE A 36 -7.665 -9.362 -2.425 1.00 0.00 O ATOM 295 CB ILE A 36 -7.765 -12.112 -4.554 1.00 0.00 C ATOM 296 CG1 ILE A 36 -6.477 -13.001 -4.597 1.00 0.00 C ATOM 297 CG2 ILE A 36 -8.716 -12.526 -5.720 1.00 0.00 C ATOM 298 CD1 ILE A 36 -5.395 -12.588 -5.637 1.00 0.00 C ATOM 0 H ILE A 36 -7.007 -10.547 -6.485 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.581 -10.139 -4.459 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.218 -12.325 -3.586 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.022 -12.994 -3.607 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.776 -14.029 -4.803 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.816 -13.611 -5.740 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.696 -12.074 -5.568 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.301 -12.182 -6.667 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.551 -13.274 -5.576 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.821 -12.626 -6.640 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.055 -11.574 -5.425 1.00 0.00 H new ATOM 310 N THR A 37 -5.741 -10.468 -2.758 1.00 0.00 N ATOM 311 CA THR A 37 -5.103 -9.970 -1.536 1.00 0.00 C ATOM 312 C THR A 37 -3.774 -9.386 -1.959 1.00 0.00 C ATOM 313 O THR A 37 -2.817 -9.445 -1.201 1.00 0.00 O ATOM 314 CB THR A 37 -4.960 -11.115 -0.494 1.00 0.00 C ATOM 315 OG1 THR A 37 -4.383 -10.563 0.698 1.00 0.00 O ATOM 316 CG2 THR A 37 -4.078 -12.292 -0.992 1.00 0.00 C ATOM 0 H THR A 37 -5.164 -11.118 -3.292 1.00 0.00 H new ATOM 0 HA THR A 37 -5.699 -9.202 -1.043 1.00 0.00 H new ATOM 0 HB THR A 37 -5.953 -11.526 -0.313 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.550 -10.098 0.473 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.020 -13.056 -0.217 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.518 -12.721 -1.892 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.076 -11.926 -1.217 1.00 0.00 H new ATOM 324 N ARG A 38 -3.722 -8.815 -3.185 1.00 0.00 N ATOM 325 CA ARG A 38 -2.463 -8.407 -3.776 1.00 0.00 C ATOM 326 C ARG A 38 -2.695 -7.070 -4.415 1.00 0.00 C ATOM 327 O ARG A 38 -3.711 -6.954 -5.071 1.00 0.00 O ATOM 328 CB ARG A 38 -1.981 -9.464 -4.814 1.00 0.00 C ATOM 329 CG ARG A 38 -1.098 -8.842 -5.938 1.00 0.00 C ATOM 330 CD ARG A 38 -0.357 -9.883 -6.832 1.00 0.00 C ATOM 331 NE ARG A 38 -1.195 -10.555 -7.826 1.00 0.00 N ATOM 332 CZ ARG A 38 -0.723 -11.387 -8.734 1.00 0.00 C ATOM 333 NH1 ARG A 38 0.549 -11.710 -8.805 1.00 0.00 N ATOM 334 NH2 ARG A 38 -1.552 -11.915 -9.605 1.00 0.00 N ATOM 0 H ARG A 38 -4.540 -8.635 -3.766 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.678 -8.332 -3.023 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.414 -10.240 -4.300 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.848 -9.947 -5.264 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.727 -8.219 -6.574 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.359 -8.185 -5.480 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.460 -9.379 -7.349 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.092 -10.639 -6.187 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.198 -10.370 -7.816 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.214 -11.313 -8.141 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.871 -12.358 -9.524 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.544 -11.680 -9.572 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.204 -12.560 -10.314 1.00 0.00 H new ATOM 348 N LEU A 39 -1.785 -6.076 -4.234 1.00 0.00 N ATOM 349 CA LEU A 39 -1.986 -4.800 -4.919 1.00 0.00 C ATOM 350 C LEU A 39 -0.622 -4.234 -5.235 1.00 0.00 C ATOM 351 O LEU A 39 0.107 -4.045 -4.278 1.00 0.00 O ATOM 352 CB LEU A 39 -2.954 -3.855 -4.133 1.00 0.00 C ATOM 353 CG LEU A 39 -2.437 -3.303 -2.766 1.00 0.00 C ATOM 354 CD1 LEU A 39 -1.702 -1.934 -2.896 1.00 0.00 C ATOM 355 CD2 LEU A 39 -3.626 -3.110 -1.770 1.00 0.00 C ATOM 0 H LEU A 39 -0.952 -6.138 -3.649 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.510 -4.932 -5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.196 -3.007 -4.773 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.884 -4.394 -3.953 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.727 -4.044 -2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.368 -1.606 -1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.840 -2.045 -3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.384 -1.193 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.248 -2.725 -0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.341 -2.403 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.119 -4.068 -1.602 1.00 0.00 H new ATOM 367 N ARG A 40 -0.205 -3.987 -6.497 1.00 0.00 N ATOM 368 CA ARG A 40 1.160 -3.535 -6.790 1.00 0.00 C ATOM 369 C ARG A 40 1.150 -2.049 -7.016 1.00 0.00 C ATOM 370 O ARG A 40 0.063 -1.520 -7.154 1.00 0.00 O ATOM 371 CB ARG A 40 1.692 -4.224 -8.074 1.00 0.00 C ATOM 372 CG ARG A 40 1.537 -5.780 -8.018 1.00 0.00 C ATOM 373 CD ARG A 40 2.589 -6.566 -8.870 1.00 0.00 C ATOM 374 NE ARG A 40 2.104 -6.963 -10.191 1.00 0.00 N ATOM 375 CZ ARG A 40 2.841 -7.033 -11.296 1.00 0.00 C ATOM 376 NH1 ARG A 40 4.116 -6.758 -11.366 1.00 0.00 N ATOM 377 NH2 ARG A 40 2.234 -7.418 -12.398 1.00 0.00 N ATOM 0 H ARG A 40 -0.797 -4.095 -7.321 1.00 0.00 H new ATOM 0 HA ARG A 40 1.803 -3.791 -5.948 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.155 -3.838 -8.940 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.743 -3.970 -8.212 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.614 -6.103 -6.980 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.537 -6.046 -8.362 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.479 -5.948 -8.991 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.893 -7.458 -8.322 1.00 0.00 H new ATOM 0 HE ARG A 40 1.117 -7.207 -10.272 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.621 -6.463 -10.530 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.607 -6.838 -12.257 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.240 -7.647 -12.379 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.757 -7.487 -13.271 1.00 0.00 H new ATOM 391 N VAL A 41 2.327 -1.373 -7.078 1.00 0.00 N ATOM 392 CA VAL A 41 2.361 0.076 -7.298 1.00 0.00 C ATOM 393 C VAL A 41 3.514 0.514 -8.202 1.00 0.00 C ATOM 394 O VAL A 41 4.440 1.137 -7.709 1.00 0.00 O ATOM 395 CB VAL A 41 2.283 0.827 -5.931 1.00 0.00 C ATOM 396 CG1 VAL A 41 1.595 2.214 -6.093 1.00 0.00 C ATOM 397 CG2 VAL A 41 1.587 0.045 -4.780 1.00 0.00 C ATOM 0 H VAL A 41 3.244 -1.809 -6.979 1.00 0.00 H new ATOM 0 HA VAL A 41 1.475 0.364 -7.863 1.00 0.00 H new ATOM 0 HB VAL A 41 3.325 0.942 -5.633 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.554 2.715 -5.126 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.166 2.824 -6.794 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.583 2.076 -6.473 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.585 0.654 -3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.560 -0.184 -5.065 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.127 -0.883 -4.592 1.00 0.00 H new ATOM 407 N SER A 42 3.506 0.199 -9.525 1.00 0.00 N ATOM 408 CA SER A 42 4.642 0.562 -10.390 1.00 0.00 C ATOM 409 C SER A 42 4.781 2.043 -10.652 1.00 0.00 C ATOM 410 O SER A 42 3.961 2.545 -11.406 1.00 0.00 O ATOM 411 CB SER A 42 4.609 -0.179 -11.763 1.00 0.00 C ATOM 412 OG SER A 42 5.392 0.473 -12.780 1.00 0.00 O ATOM 0 H SER A 42 2.746 -0.291 -9.997 1.00 0.00 H new ATOM 0 HA SER A 42 5.509 0.241 -9.813 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.976 -1.196 -11.628 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.576 -0.255 -12.102 1.00 0.00 H new ATOM 0 HG SER A 42 4.795 0.901 -13.429 1.00 0.00 H new ATOM 418 N VAL A 43 5.805 2.744 -10.081 1.00 0.00 N ATOM 419 CA VAL A 43 5.943 4.182 -10.320 1.00 0.00 C ATOM 420 C VAL A 43 7.376 4.662 -10.279 1.00 0.00 C ATOM 421 O VAL A 43 8.219 3.942 -9.768 1.00 0.00 O ATOM 422 CB VAL A 43 5.118 5.010 -9.286 1.00 0.00 C ATOM 423 CG1 VAL A 43 3.779 4.295 -8.952 1.00 0.00 C ATOM 424 CG2 VAL A 43 5.933 5.283 -7.982 1.00 0.00 C ATOM 0 H VAL A 43 6.517 2.338 -9.474 1.00 0.00 H new ATOM 0 HA VAL A 43 5.559 4.340 -11.328 1.00 0.00 H new ATOM 0 HB VAL A 43 4.895 5.974 -9.744 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.220 4.889 -8.229 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.190 4.182 -9.862 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.987 3.312 -8.530 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.325 5.862 -7.287 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.209 4.335 -7.520 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.835 5.843 -8.227 1.00 0.00 H new ATOM 434 N ALA A 44 7.629 5.893 -10.793 1.00 0.00 N ATOM 435 CA ALA A 44 8.941 6.525 -10.672 1.00 0.00 C ATOM 436 C ALA A 44 8.980 7.581 -9.585 1.00 0.00 C ATOM 437 O ALA A 44 10.087 7.974 -9.254 1.00 0.00 O ATOM 438 CB ALA A 44 9.338 7.156 -12.028 1.00 0.00 C ATOM 0 H ALA A 44 6.937 6.454 -11.290 1.00 0.00 H new ATOM 0 HA ALA A 44 9.653 5.748 -10.392 1.00 0.00 H new ATOM 0 HB1 ALA A 44 10.317 7.627 -11.937 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.378 6.380 -12.792 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.599 7.906 -12.311 1.00 0.00 H new ATOM 444 N ASP A 45 7.846 8.064 -9.015 1.00 0.00 N ATOM 445 CA ASP A 45 7.919 8.905 -7.818 1.00 0.00 C ATOM 446 C ASP A 45 8.606 8.131 -6.708 1.00 0.00 C ATOM 447 O ASP A 45 7.923 7.678 -5.802 1.00 0.00 O ATOM 448 CB ASP A 45 6.509 9.367 -7.338 1.00 0.00 C ATOM 449 CG ASP A 45 5.767 10.140 -8.399 1.00 0.00 C ATOM 450 OD1 ASP A 45 5.538 9.562 -9.495 1.00 0.00 O ATOM 451 OD2 ASP A 45 5.397 11.322 -8.152 1.00 0.00 O ATOM 0 H ASP A 45 6.903 7.886 -9.361 1.00 0.00 H new ATOM 0 HA ASP A 45 8.488 9.800 -8.070 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.922 8.495 -7.050 1.00 0.00 H new ATOM 0 HB3 ASP A 45 6.616 9.987 -6.448 1.00 0.00 H new ATOM 456 N VAL A 46 9.956 7.982 -6.758 1.00 0.00 N ATOM 457 CA VAL A 46 10.695 7.346 -5.669 1.00 0.00 C ATOM 458 C VAL A 46 11.485 8.429 -4.967 1.00 0.00 C ATOM 459 O VAL A 46 12.594 8.186 -4.520 1.00 0.00 O ATOM 460 CB VAL A 46 11.487 6.082 -6.130 1.00 0.00 C ATOM 461 CG1 VAL A 46 12.707 6.417 -7.031 1.00 0.00 C ATOM 462 CG2 VAL A 46 11.930 5.193 -4.928 1.00 0.00 C ATOM 0 H VAL A 46 10.536 8.294 -7.537 1.00 0.00 H new ATOM 0 HA VAL A 46 10.024 6.909 -4.930 1.00 0.00 H new ATOM 0 HB VAL A 46 10.784 5.513 -6.738 1.00 0.00 H new ATOM 0 HG11 VAL A 46 13.213 5.495 -7.316 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.366 6.936 -7.927 1.00 0.00 H new ATOM 0 HG13 VAL A 46 13.399 7.056 -6.483 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.477 4.326 -5.299 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.573 5.772 -4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.050 4.859 -4.379 1.00 0.00 H new ATOM 472 N SER A 47 10.917 9.656 -4.857 1.00 0.00 N ATOM 473 CA SER A 47 11.661 10.759 -4.254 1.00 0.00 C ATOM 474 C SER A 47 11.772 10.460 -2.775 1.00 0.00 C ATOM 475 O SER A 47 12.874 10.270 -2.283 1.00 0.00 O ATOM 476 CB SER A 47 11.003 12.133 -4.570 1.00 0.00 C ATOM 477 OG SER A 47 11.696 13.218 -3.932 1.00 0.00 O ATOM 0 H SER A 47 9.975 9.890 -5.171 1.00 0.00 H new ATOM 0 HA SER A 47 12.663 10.840 -4.676 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.994 12.292 -5.648 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.964 12.122 -4.241 1.00 0.00 H new ATOM 0 HG SER A 47 11.255 14.064 -4.155 1.00 0.00 H new ATOM 483 N LYS A 48 10.619 10.392 -2.072 1.00 0.00 N ATOM 484 CA LYS A 48 10.593 9.977 -0.667 1.00 0.00 C ATOM 485 C LYS A 48 9.417 9.083 -0.307 1.00 0.00 C ATOM 486 O LYS A 48 9.190 8.900 0.879 1.00 0.00 O ATOM 487 CB LYS A 48 10.610 11.245 0.232 1.00 0.00 C ATOM 488 CG LYS A 48 9.563 12.321 -0.184 1.00 0.00 C ATOM 489 CD LYS A 48 8.100 11.805 -0.271 1.00 0.00 C ATOM 490 CE LYS A 48 7.092 12.962 -0.522 1.00 0.00 C ATOM 491 NZ LYS A 48 7.440 13.813 -1.686 1.00 0.00 N ATOM 0 H LYS A 48 9.703 10.620 -2.460 1.00 0.00 H new ATOM 0 HA LYS A 48 11.481 9.368 -0.496 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.424 10.950 1.265 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.605 11.688 0.201 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.602 13.142 0.532 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.848 12.730 -1.154 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.020 11.073 -1.075 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.840 11.291 0.655 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.099 12.540 -0.676 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.039 13.586 0.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.676 14.498 -1.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.325 14.323 -1.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.563 13.216 -2.528 1.00 0.00 H new ATOM 505 N VAL A 49 8.658 8.521 -1.279 1.00 0.00 N ATOM 506 CA VAL A 49 7.486 7.700 -0.970 1.00 0.00 C ATOM 507 C VAL A 49 7.730 6.832 0.249 1.00 0.00 C ATOM 508 O VAL A 49 8.784 6.221 0.328 1.00 0.00 O ATOM 509 CB VAL A 49 7.092 6.838 -2.212 1.00 0.00 C ATOM 510 CG1 VAL A 49 8.287 5.963 -2.694 1.00 0.00 C ATOM 511 CG2 VAL A 49 5.790 6.025 -1.963 1.00 0.00 C ATOM 0 H VAL A 49 8.844 8.627 -2.276 1.00 0.00 H new ATOM 0 HA VAL A 49 6.653 8.362 -0.733 1.00 0.00 H new ATOM 0 HB VAL A 49 6.860 7.516 -3.033 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.982 5.375 -3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.122 6.607 -2.970 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.595 5.294 -1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.551 5.439 -2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.936 5.356 -1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.969 6.709 -1.748 1.00 0.00 H new ATOM 521 N ASP A 50 6.794 6.775 1.227 1.00 0.00 N ATOM 522 CA ASP A 50 7.042 6.011 2.451 1.00 0.00 C ATOM 523 C ASP A 50 6.621 4.580 2.196 1.00 0.00 C ATOM 524 O ASP A 50 5.614 4.153 2.733 1.00 0.00 O ATOM 525 CB ASP A 50 6.298 6.682 3.644 1.00 0.00 C ATOM 526 CG ASP A 50 6.704 6.112 4.983 1.00 0.00 C ATOM 527 OD1 ASP A 50 7.085 4.914 5.040 1.00 0.00 O ATOM 528 OD2 ASP A 50 6.650 6.868 5.994 1.00 0.00 O ATOM 0 H ASP A 50 5.887 7.239 1.186 1.00 0.00 H new ATOM 0 HA ASP A 50 8.097 6.003 2.723 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.498 7.753 3.635 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.223 6.557 3.512 1.00 0.00 H new ATOM 533 N GLN A 51 7.378 3.817 1.372 1.00 0.00 N ATOM 534 CA GLN A 51 7.006 2.424 1.088 1.00 0.00 C ATOM 535 C GLN A 51 7.443 1.567 2.249 1.00 0.00 C ATOM 536 O GLN A 51 6.709 0.676 2.643 1.00 0.00 O ATOM 537 CB GLN A 51 7.651 1.843 -0.201 1.00 0.00 C ATOM 538 CG GLN A 51 7.295 2.733 -1.416 1.00 0.00 C ATOM 539 CD GLN A 51 8.112 2.519 -2.676 1.00 0.00 C ATOM 540 OE1 GLN A 51 9.468 2.510 -2.620 1.00 0.00 O flip ATOM 541 NE2 GLN A 51 7.537 2.388 -3.729 1.00 0.00 N flip ATOM 0 H GLN A 51 8.227 4.138 0.906 1.00 0.00 H new ATOM 0 HA GLN A 51 5.927 2.418 0.937 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.733 1.789 -0.084 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.297 0.826 -0.368 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.245 2.573 -1.660 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.398 3.776 -1.116 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.517 2.396 -3.758 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.071 2.269 -4.590 1.00 0.00 H new ATOM 550 N ALA A 52 8.639 1.847 2.815 1.00 0.00 N ATOM 551 CA ALA A 52 9.082 1.128 4.005 1.00 0.00 C ATOM 552 C ALA A 52 7.998 1.124 5.065 1.00 0.00 C ATOM 553 O ALA A 52 7.932 0.179 5.836 1.00 0.00 O ATOM 554 CB ALA A 52 10.378 1.751 4.582 1.00 0.00 C ATOM 0 H ALA A 52 9.292 2.550 2.469 1.00 0.00 H new ATOM 0 HA ALA A 52 9.292 0.100 3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.685 1.196 5.468 1.00 0.00 H new ATOM 0 HB2 ALA A 52 11.168 1.706 3.833 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.193 2.791 4.852 1.00 0.00 H new ATOM 560 N GLY A 53 7.130 2.161 5.127 1.00 0.00 N ATOM 561 CA GLY A 53 5.951 2.088 5.989 1.00 0.00 C ATOM 562 C GLY A 53 4.802 1.410 5.280 1.00 0.00 C ATOM 563 O GLY A 53 4.079 0.661 5.917 1.00 0.00 O ATOM 0 H GLY A 53 7.228 3.030 4.602 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.195 1.540 6.899 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.654 3.092 6.291 1.00 0.00 H new ATOM 567 N LEU A 54 4.592 1.674 3.970 1.00 0.00 N ATOM 568 CA LEU A 54 3.408 1.147 3.286 1.00 0.00 C ATOM 569 C LEU A 54 3.455 -0.349 3.142 1.00 0.00 C ATOM 570 O LEU A 54 2.399 -0.918 2.917 1.00 0.00 O ATOM 571 CB LEU A 54 3.172 1.793 1.886 1.00 0.00 C ATOM 572 CG LEU A 54 1.676 1.906 1.439 1.00 0.00 C ATOM 573 CD1 LEU A 54 1.339 3.377 1.068 1.00 0.00 C ATOM 574 CD2 LEU A 54 1.284 0.936 0.288 1.00 0.00 C ATOM 0 H LEU A 54 5.213 2.234 3.386 1.00 0.00 H new ATOM 0 HA LEU A 54 2.569 1.417 3.928 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.609 2.792 1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.713 1.210 1.140 1.00 0.00 H new ATOM 0 HG LEU A 54 1.075 1.597 2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.296 3.444 0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.502 4.017 1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.982 3.702 0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.233 1.076 0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.898 1.144 -0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.447 -0.093 0.608 1.00 0.00 H new ATOM 586 N LYS A 55 4.637 -0.998 3.267 1.00 0.00 N ATOM 587 CA LYS A 55 4.701 -2.451 3.139 1.00 0.00 C ATOM 588 C LYS A 55 4.285 -3.171 4.387 1.00 0.00 C ATOM 589 O LYS A 55 3.750 -4.259 4.272 1.00 0.00 O ATOM 590 CB LYS A 55 6.095 -2.952 2.670 1.00 0.00 C ATOM 591 CG LYS A 55 7.117 -3.515 3.694 1.00 0.00 C ATOM 592 CD LYS A 55 7.779 -2.431 4.573 1.00 0.00 C ATOM 593 CE LYS A 55 9.304 -2.673 4.762 1.00 0.00 C ATOM 594 NZ LYS A 55 9.610 -3.991 5.368 1.00 0.00 N ATOM 0 H LYS A 55 5.531 -0.542 3.451 1.00 0.00 H new ATOM 0 HA LYS A 55 3.976 -2.693 2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.923 -3.730 1.926 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.579 -2.121 2.156 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.613 -4.235 4.339 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.894 -4.059 3.157 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.622 -1.453 4.119 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.293 -2.411 5.548 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.801 -2.600 3.794 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.716 -1.885 5.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.637 -4.082 5.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.134 -4.068 6.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.274 -4.748 4.740 1.00 0.00 H new ATOM 608 N LYS A 56 4.550 -2.570 5.563 1.00 0.00 N ATOM 609 CA LYS A 56 4.164 -3.169 6.840 1.00 0.00 C ATOM 610 C LYS A 56 2.894 -2.553 7.397 1.00 0.00 C ATOM 611 O LYS A 56 2.287 -3.182 8.249 1.00 0.00 O ATOM 612 CB LYS A 56 5.350 -3.107 7.846 1.00 0.00 C ATOM 613 CG LYS A 56 5.758 -1.670 8.281 1.00 0.00 C ATOM 614 CD LYS A 56 7.129 -1.619 9.017 1.00 0.00 C ATOM 615 CE LYS A 56 7.164 -2.405 10.360 1.00 0.00 C ATOM 616 NZ LYS A 56 7.736 -3.768 10.228 1.00 0.00 N ATOM 0 H LYS A 56 5.029 -1.673 5.647 1.00 0.00 H new ATOM 0 HA LYS A 56 3.932 -4.220 6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.085 -3.680 8.735 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.215 -3.596 7.398 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.801 -1.029 7.400 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.987 -1.262 8.934 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.898 -2.018 8.356 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.385 -0.578 9.212 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.749 -1.842 11.087 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.151 -2.480 10.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.731 -4.238 11.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.165 -4.321 9.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.713 -3.702 9.879 1.00 0.00 H new ATOM 630 N LEU A 57 2.474 -1.345 6.943 1.00 0.00 N ATOM 631 CA LEU A 57 1.251 -0.697 7.429 1.00 0.00 C ATOM 632 C LEU A 57 0.155 -0.685 6.372 1.00 0.00 C ATOM 633 O LEU A 57 -1.007 -0.789 6.729 1.00 0.00 O ATOM 634 CB LEU A 57 1.600 0.774 7.799 1.00 0.00 C ATOM 635 CG LEU A 57 0.750 1.388 8.955 1.00 0.00 C ATOM 636 CD1 LEU A 57 1.015 2.915 9.033 1.00 0.00 C ATOM 637 CD2 LEU A 57 -0.774 1.144 8.811 1.00 0.00 C ATOM 0 H LEU A 57 2.975 -0.806 6.237 1.00 0.00 H new ATOM 0 HA LEU A 57 0.882 -1.255 8.289 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.652 0.822 8.079 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.478 1.394 6.911 1.00 0.00 H new ATOM 0 HG LEU A 57 1.062 0.883 9.869 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.422 3.346 9.840 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.073 3.091 9.226 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.736 3.381 8.088 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.297 1.600 9.652 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.127 1.588 7.880 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.971 0.072 8.800 1.00 0.00 H new ATOM 649 N GLY A 58 0.460 -0.547 5.061 1.00 0.00 N ATOM 650 CA GLY A 58 -0.581 -0.554 4.033 1.00 0.00 C ATOM 651 C GLY A 58 -0.795 -1.950 3.504 1.00 0.00 C ATOM 652 O GLY A 58 -1.933 -2.381 3.433 1.00 0.00 O ATOM 0 H GLY A 58 1.408 -0.432 4.703 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.513 -0.170 4.449 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.298 0.111 3.217 1.00 0.00 H new ATOM 656 N ALA A 59 0.294 -2.658 3.133 1.00 0.00 N ATOM 657 CA ALA A 59 0.207 -4.029 2.632 1.00 0.00 C ATOM 658 C ALA A 59 1.003 -4.895 3.591 1.00 0.00 C ATOM 659 O ALA A 59 1.249 -4.426 4.689 1.00 0.00 O ATOM 660 CB ALA A 59 0.736 -3.973 1.176 1.00 0.00 C ATOM 0 H ALA A 59 1.245 -2.291 3.175 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.792 -4.464 2.594 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.699 -4.970 0.737 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.116 -3.295 0.589 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.765 -3.614 1.176 1.00 0.00 H new ATOM 666 N ALA A 60 1.420 -6.132 3.236 1.00 0.00 N ATOM 667 CA ALA A 60 2.166 -6.988 4.175 1.00 0.00 C ATOM 668 C ALA A 60 3.082 -7.912 3.407 1.00 0.00 C ATOM 669 O ALA A 60 3.001 -9.121 3.556 1.00 0.00 O ATOM 670 CB ALA A 60 1.299 -7.801 5.174 1.00 0.00 C ATOM 0 H ALA A 60 1.254 -6.551 2.321 1.00 0.00 H new ATOM 0 HA ALA A 60 2.736 -6.299 4.799 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.947 -8.396 5.818 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.710 -7.117 5.785 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.631 -8.462 4.622 1.00 0.00 H new ATOM 676 N GLY A 61 3.967 -7.334 2.566 1.00 0.00 N ATOM 677 CA GLY A 61 4.897 -8.138 1.783 1.00 0.00 C ATOM 678 C GLY A 61 5.094 -7.493 0.434 1.00 0.00 C ATOM 679 O GLY A 61 4.552 -8.008 -0.529 1.00 0.00 O ATOM 0 H GLY A 61 4.048 -6.328 2.421 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.851 -8.221 2.303 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.510 -9.150 1.663 1.00 0.00 H new ATOM 683 N VAL A 62 5.845 -6.367 0.351 1.00 0.00 N ATOM 684 CA VAL A 62 6.017 -5.673 -0.927 1.00 0.00 C ATOM 685 C VAL A 62 7.444 -5.833 -1.372 1.00 0.00 C ATOM 686 O VAL A 62 8.261 -6.297 -0.594 1.00 0.00 O ATOM 687 CB VAL A 62 5.594 -4.169 -0.866 1.00 0.00 C ATOM 688 CG1 VAL A 62 4.287 -3.948 -0.045 1.00 0.00 C ATOM 689 CG2 VAL A 62 6.789 -3.229 -0.517 1.00 0.00 C ATOM 0 H VAL A 62 6.327 -5.936 1.140 1.00 0.00 H new ATOM 0 HA VAL A 62 5.349 -6.127 -1.659 1.00 0.00 H new ATOM 0 HB VAL A 62 5.313 -3.861 -1.873 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.039 -2.887 -0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 62 3.471 -4.507 -0.503 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.436 -4.296 0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.443 -2.196 -0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.196 -3.504 0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.565 -3.330 -1.276 1.00 0.00 H new ATOM 699 N VAL A 63 7.743 -5.452 -2.635 1.00 0.00 N ATOM 700 CA VAL A 63 9.096 -5.597 -3.161 1.00 0.00 C ATOM 701 C VAL A 63 9.322 -4.408 -4.067 1.00 0.00 C ATOM 702 O VAL A 63 8.408 -4.115 -4.818 1.00 0.00 O ATOM 703 CB VAL A 63 9.305 -6.984 -3.858 1.00 0.00 C ATOM 704 CG1 VAL A 63 8.110 -7.952 -3.612 1.00 0.00 C ATOM 705 CG2 VAL A 63 9.637 -6.860 -5.373 1.00 0.00 C ATOM 0 H VAL A 63 7.071 -5.050 -3.289 1.00 0.00 H new ATOM 0 HA VAL A 63 9.844 -5.597 -2.368 1.00 0.00 H new ATOM 0 HB VAL A 63 10.183 -7.423 -3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.300 -8.900 -4.115 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.996 -8.125 -2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.196 -7.509 -4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.770 -7.854 -5.799 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.819 -6.353 -5.884 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.555 -6.285 -5.499 1.00 0.00 H new ATOM 715 N VAL A 64 10.490 -3.724 -4.009 1.00 0.00 N ATOM 716 CA VAL A 64 10.711 -2.531 -4.824 1.00 0.00 C ATOM 717 C VAL A 64 11.721 -2.922 -5.881 1.00 0.00 C ATOM 718 O VAL A 64 12.757 -3.443 -5.500 1.00 0.00 O ATOM 719 CB VAL A 64 11.213 -1.358 -3.932 1.00 0.00 C ATOM 720 CG1 VAL A 64 11.374 -0.051 -4.754 1.00 0.00 C ATOM 721 CG2 VAL A 64 10.253 -1.104 -2.735 1.00 0.00 C ATOM 0 H VAL A 64 11.276 -3.982 -3.412 1.00 0.00 H new ATOM 0 HA VAL A 64 9.794 -2.180 -5.297 1.00 0.00 H new ATOM 0 HB VAL A 64 12.188 -1.652 -3.544 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.726 0.748 -4.102 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.097 -0.211 -5.554 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.413 0.229 -5.184 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.633 -0.279 -2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.261 -0.852 -3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.191 -2.003 -2.121 1.00 0.00 H new ATOM 731 N ALA A 65 11.444 -2.698 -7.188 1.00 0.00 N ATOM 732 CA ALA A 65 12.367 -3.120 -8.242 1.00 0.00 C ATOM 733 C ALA A 65 12.420 -2.038 -9.297 1.00 0.00 C ATOM 734 O ALA A 65 11.574 -2.089 -10.173 1.00 0.00 O ATOM 735 CB ALA A 65 11.839 -4.451 -8.844 1.00 0.00 C ATOM 0 H ALA A 65 10.600 -2.234 -7.523 1.00 0.00 H new ATOM 0 HA ALA A 65 13.372 -3.278 -7.850 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.512 -4.786 -9.633 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.790 -5.210 -8.063 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.844 -4.293 -9.259 1.00 0.00 H new ATOM 741 N GLY A 66 13.371 -1.071 -9.237 1.00 0.00 N ATOM 742 CA GLY A 66 13.396 0.033 -10.203 1.00 0.00 C ATOM 743 C GLY A 66 12.840 -0.385 -11.549 1.00 0.00 C ATOM 744 O GLY A 66 13.492 -1.220 -12.155 1.00 0.00 O ATOM 0 H GLY A 66 14.114 -1.041 -8.539 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.816 0.870 -9.814 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.420 0.385 -10.326 1.00 0.00 H new ATOM 748 N SER A 67 11.662 0.149 -11.974 1.00 0.00 N ATOM 749 CA SER A 67 10.899 -0.368 -13.118 1.00 0.00 C ATOM 750 C SER A 67 9.517 -0.780 -12.640 1.00 0.00 C ATOM 751 O SER A 67 8.578 -0.727 -13.421 1.00 0.00 O ATOM 752 CB SER A 67 11.494 -1.556 -13.917 1.00 0.00 C ATOM 753 OG SER A 67 12.710 -1.142 -14.560 1.00 0.00 O ATOM 0 H SER A 67 11.223 0.952 -11.524 1.00 0.00 H new ATOM 0 HA SER A 67 10.907 0.465 -13.821 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.691 -2.395 -13.249 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.777 -1.903 -14.661 1.00 0.00 H new ATOM 0 HG SER A 67 13.430 -1.090 -13.897 1.00 0.00 H new ATOM 759 N GLY A 68 9.363 -1.200 -11.363 1.00 0.00 N ATOM 760 CA GLY A 68 8.049 -1.558 -10.852 1.00 0.00 C ATOM 761 C GLY A 68 8.123 -1.884 -9.383 1.00 0.00 C ATOM 762 O GLY A 68 9.219 -2.123 -8.903 1.00 0.00 O ATOM 0 H GLY A 68 10.124 -1.293 -10.691 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.353 -0.734 -11.013 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.660 -2.415 -11.401 1.00 0.00 H new ATOM 766 N VAL A 69 6.978 -1.894 -8.666 1.00 0.00 N ATOM 767 CA VAL A 69 6.990 -2.129 -7.227 1.00 0.00 C ATOM 768 C VAL A 69 5.857 -3.082 -6.968 1.00 0.00 C ATOM 769 O VAL A 69 4.723 -2.722 -7.237 1.00 0.00 O ATOM 770 CB VAL A 69 6.811 -0.838 -6.385 1.00 0.00 C ATOM 771 CG1 VAL A 69 6.818 -1.149 -4.856 1.00 0.00 C ATOM 772 CG2 VAL A 69 7.889 0.198 -6.787 1.00 0.00 C ATOM 0 H VAL A 69 6.051 -1.743 -9.064 1.00 0.00 H new ATOM 0 HA VAL A 69 7.960 -2.526 -6.926 1.00 0.00 H new ATOM 0 HB VAL A 69 5.834 -0.404 -6.598 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.691 -0.223 -4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.001 -1.831 -4.620 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.767 -1.611 -4.583 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.762 1.104 -6.195 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.880 -0.218 -6.605 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.786 0.439 -7.845 1.00 0.00 H new ATOM 782 N GLN A 70 6.140 -4.299 -6.469 1.00 0.00 N ATOM 783 CA GLN A 70 5.062 -5.236 -6.197 1.00 0.00 C ATOM 784 C GLN A 70 4.573 -4.909 -4.816 1.00 0.00 C ATOM 785 O GLN A 70 5.345 -4.309 -4.091 1.00 0.00 O ATOM 786 CB GLN A 70 5.567 -6.680 -6.451 1.00 0.00 C ATOM 787 CG GLN A 70 4.699 -7.753 -5.772 1.00 0.00 C ATOM 788 CD GLN A 70 5.250 -9.142 -6.018 1.00 0.00 C ATOM 789 OE1 GLN A 70 5.814 -9.727 -5.110 1.00 0.00 O ATOM 790 NE2 GLN A 70 5.098 -9.691 -7.245 1.00 0.00 N ATOM 0 H GLN A 70 7.078 -4.639 -6.255 1.00 0.00 H new ATOM 0 HA GLN A 70 4.200 -5.156 -6.859 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.590 -6.866 -7.525 1.00 0.00 H new ATOM 0 HB3 GLN A 70 6.592 -6.769 -6.090 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.653 -7.562 -4.700 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.679 -7.692 -6.151 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.620 -9.171 -7.981 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.461 -10.625 -7.434 1.00 0.00 H new ATOM 799 N ALA A 71 3.326 -5.278 -4.444 1.00 0.00 N ATOM 800 CA ALA A 71 2.817 -5.022 -3.108 1.00 0.00 C ATOM 801 C ALA A 71 1.815 -6.097 -2.745 1.00 0.00 C ATOM 802 O ALA A 71 0.939 -6.342 -3.557 1.00 0.00 O ATOM 803 CB ALA A 71 2.406 -3.539 -2.834 1.00 0.00 C ATOM 0 H ALA A 71 2.666 -5.752 -5.061 1.00 0.00 H new ATOM 0 HA ALA A 71 3.633 -5.111 -2.391 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.039 -3.446 -1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.272 -2.891 -2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.620 -3.245 -3.530 1.00 0.00 H new ATOM 809 N ILE A 72 1.955 -6.791 -1.587 1.00 0.00 N ATOM 810 CA ILE A 72 1.145 -7.975 -1.317 1.00 0.00 C ATOM 811 C ILE A 72 0.888 -8.053 0.163 1.00 0.00 C ATOM 812 O ILE A 72 1.725 -7.570 0.909 1.00 0.00 O ATOM 813 CB ILE A 72 1.855 -9.264 -1.855 1.00 0.00 C ATOM 814 CG1 ILE A 72 1.361 -9.710 -3.266 1.00 0.00 C ATOM 815 CG2 ILE A 72 1.838 -10.471 -0.877 1.00 0.00 C ATOM 816 CD1 ILE A 72 2.359 -9.287 -4.362 1.00 0.00 C ATOM 0 H ILE A 72 2.612 -6.546 -0.846 1.00 0.00 H new ATOM 0 HA ILE A 72 0.190 -7.903 -1.837 1.00 0.00 H new ATOM 0 HB ILE A 72 2.893 -8.945 -1.946 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.233 -10.792 -3.285 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.385 -9.270 -3.469 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.352 -11.317 -1.334 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.344 -10.196 0.049 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.807 -10.748 -0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.990 -9.611 -5.335 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.467 -8.202 -4.357 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.328 -9.749 -4.170 1.00 0.00 H new ATOM 828 N PHE A 73 -0.256 -8.650 0.580 1.00 0.00 N ATOM 829 CA PHE A 73 -0.563 -8.740 1.998 1.00 0.00 C ATOM 830 C PHE A 73 -0.767 -10.222 2.238 1.00 0.00 C ATOM 831 O PHE A 73 -1.890 -10.641 2.466 1.00 0.00 O ATOM 832 CB PHE A 73 -1.668 -7.735 2.450 1.00 0.00 C ATOM 833 CG PHE A 73 -2.678 -7.258 1.382 1.00 0.00 C ATOM 834 CD1 PHE A 73 -2.232 -6.700 0.179 1.00 0.00 C ATOM 835 CD2 PHE A 73 -4.063 -7.337 1.596 1.00 0.00 C ATOM 836 CE1 PHE A 73 -3.123 -6.484 -0.875 1.00 0.00 C ATOM 837 CE2 PHE A 73 -4.968 -7.067 0.564 1.00 0.00 C ATOM 838 CZ PHE A 73 -4.494 -6.676 -0.692 1.00 0.00 C ATOM 0 H PHE A 73 -0.954 -9.061 -0.040 1.00 0.00 H new ATOM 0 HA PHE A 73 0.231 -8.398 2.661 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -2.230 -8.196 3.262 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.174 -6.855 2.863 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.191 -6.434 0.064 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.436 -7.610 2.572 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.749 -6.167 -1.837 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -6.030 -7.160 0.737 1.00 0.00 H new ATOM 0 HZ PHE A 73 -5.181 -6.524 -1.512 1.00 0.00 H new ATOM 848 N GLY A 74 0.359 -10.986 2.173 1.00 0.00 N ATOM 849 CA GLY A 74 0.325 -12.446 2.142 1.00 0.00 C ATOM 850 C GLY A 74 -0.812 -13.059 2.935 1.00 0.00 C ATOM 851 O GLY A 74 -1.906 -13.147 2.397 1.00 0.00 O ATOM 0 H GLY A 74 1.301 -10.595 2.142 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.248 -12.774 1.105 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.270 -12.828 2.528 1.00 0.00 H new ATOM 855 N THR A 75 -0.572 -13.468 4.205 1.00 0.00 N ATOM 856 CA THR A 75 -1.666 -13.867 5.092 1.00 0.00 C ATOM 857 C THR A 75 -2.019 -12.765 6.078 1.00 0.00 C ATOM 858 O THR A 75 -3.158 -12.728 6.520 1.00 0.00 O ATOM 859 CB THR A 75 -1.387 -15.202 5.836 1.00 0.00 C ATOM 860 OG1 THR A 75 -2.567 -15.502 6.605 1.00 0.00 O ATOM 861 CG2 THR A 75 -0.136 -15.147 6.757 1.00 0.00 C ATOM 0 H THR A 75 0.357 -13.526 4.623 1.00 0.00 H new ATOM 0 HA THR A 75 -2.527 -14.038 4.446 1.00 0.00 H new ATOM 0 HB THR A 75 -1.167 -15.979 5.103 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.097 -14.686 6.723 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.001 -16.112 7.245 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.746 -14.916 6.160 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.275 -14.374 7.513 1.00 0.00 H new ATOM 869 N LYS A 76 -1.091 -11.846 6.444 1.00 0.00 N ATOM 870 CA LYS A 76 -1.432 -10.786 7.392 1.00 0.00 C ATOM 871 C LYS A 76 -2.479 -9.830 6.860 1.00 0.00 C ATOM 872 O LYS A 76 -2.905 -8.987 7.632 1.00 0.00 O ATOM 873 CB LYS A 76 -0.166 -10.013 7.856 1.00 0.00 C ATOM 874 CG LYS A 76 0.692 -10.819 8.871 1.00 0.00 C ATOM 875 CD LYS A 76 -0.063 -11.031 10.220 1.00 0.00 C ATOM 876 CE LYS A 76 0.862 -10.928 11.466 1.00 0.00 C ATOM 877 NZ LYS A 76 1.285 -9.536 11.761 1.00 0.00 N ATOM 0 H LYS A 76 -0.130 -11.826 6.102 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.871 -11.284 8.256 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.443 -9.767 6.986 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.468 -9.069 8.311 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.950 -11.787 8.442 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.628 -10.292 9.056 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.858 -10.290 10.304 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.541 -12.011 10.211 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.341 -11.335 12.333 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.747 -11.545 11.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.899 -9.530 12.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.807 -9.152 10.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.446 -8.949 11.942 1.00 0.00 H new ATOM 891 N SER A 77 -2.942 -9.932 5.595 1.00 0.00 N ATOM 892 CA SER A 77 -4.143 -9.204 5.179 1.00 0.00 C ATOM 893 C SER A 77 -5.171 -9.042 6.271 1.00 0.00 C ATOM 894 O SER A 77 -5.752 -7.974 6.359 1.00 0.00 O ATOM 895 CB SER A 77 -4.788 -9.965 3.993 1.00 0.00 C ATOM 896 OG SER A 77 -6.025 -9.408 3.527 1.00 0.00 O ATOM 0 H SER A 77 -2.509 -10.499 4.866 1.00 0.00 H new ATOM 0 HA SER A 77 -3.826 -8.199 4.902 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.080 -9.987 3.165 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.960 -10.999 4.293 1.00 0.00 H new ATOM 0 HG SER A 77 -6.364 -9.944 2.780 1.00 0.00 H new ATOM 902 N ASP A 78 -5.430 -10.049 7.128 1.00 0.00 N ATOM 903 CA ASP A 78 -6.398 -9.818 8.199 1.00 0.00 C ATOM 904 C ASP A 78 -5.951 -8.632 9.035 1.00 0.00 C ATOM 905 O ASP A 78 -6.736 -7.723 9.258 1.00 0.00 O ATOM 906 CB ASP A 78 -6.577 -11.085 9.075 1.00 0.00 C ATOM 907 CG ASP A 78 -7.025 -12.250 8.225 1.00 0.00 C ATOM 908 OD1 ASP A 78 -6.323 -12.564 7.225 1.00 0.00 O ATOM 909 OD2 ASP A 78 -8.080 -12.862 8.545 1.00 0.00 O ATOM 0 H ASP A 78 -5.007 -10.977 7.101 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.369 -9.594 7.757 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.638 -11.328 9.571 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.311 -10.894 9.858 1.00 0.00 H new ATOM 914 N ASN A 79 -4.678 -8.626 9.494 1.00 0.00 N ATOM 915 CA ASN A 79 -4.171 -7.506 10.289 1.00 0.00 C ATOM 916 C ASN A 79 -4.196 -6.205 9.517 1.00 0.00 C ATOM 917 O ASN A 79 -4.540 -5.183 10.089 1.00 0.00 O ATOM 918 CB ASN A 79 -2.695 -7.739 10.717 1.00 0.00 C ATOM 919 CG ASN A 79 -2.135 -6.582 11.514 1.00 0.00 C ATOM 920 OD1 ASN A 79 -2.861 -6.015 12.315 1.00 0.00 O ATOM 921 ND2 ASN A 79 -0.848 -6.209 11.327 1.00 0.00 N ATOM 0 H ASN A 79 -4.003 -9.372 9.327 1.00 0.00 H new ATOM 0 HA ASN A 79 -4.826 -7.445 11.158 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.632 -8.650 11.312 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.083 -7.895 9.829 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.459 -5.434 11.863 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.267 -6.703 10.650 1.00 0.00 H new ATOM 928 N LEU A 80 -3.813 -6.206 8.221 1.00 0.00 N ATOM 929 CA LEU A 80 -3.724 -4.942 7.490 1.00 0.00 C ATOM 930 C LEU A 80 -5.113 -4.460 7.167 1.00 0.00 C ATOM 931 O LEU A 80 -5.392 -3.299 7.411 1.00 0.00 O ATOM 932 CB LEU A 80 -2.896 -5.055 6.183 1.00 0.00 C ATOM 933 CG LEU A 80 -1.359 -5.052 6.425 1.00 0.00 C ATOM 934 CD1 LEU A 80 -0.811 -3.630 6.697 1.00 0.00 C ATOM 935 CD2 LEU A 80 -0.900 -6.002 7.564 1.00 0.00 C ATOM 0 H LEU A 80 -3.571 -7.039 7.684 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.205 -4.231 8.133 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.173 -5.973 5.664 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.155 -4.226 5.525 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.940 -5.429 5.492 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.266 -3.680 6.860 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.019 -2.990 5.840 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.293 -3.218 7.583 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.183 -5.944 7.672 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.374 -5.704 8.499 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.186 -7.025 7.322 1.00 0.00 H new ATOM 947 N LYS A 81 -6.000 -5.325 6.634 1.00 0.00 N ATOM 948 CA LYS A 81 -7.382 -4.915 6.414 1.00 0.00 C ATOM 949 C LYS A 81 -7.922 -4.247 7.657 1.00 0.00 C ATOM 950 O LYS A 81 -8.681 -3.308 7.496 1.00 0.00 O ATOM 951 CB LYS A 81 -8.354 -6.078 6.073 1.00 0.00 C ATOM 952 CG LYS A 81 -8.173 -6.616 4.628 1.00 0.00 C ATOM 953 CD LYS A 81 -9.334 -7.569 4.216 1.00 0.00 C ATOM 954 CE LYS A 81 -9.611 -8.707 5.240 1.00 0.00 C ATOM 955 NZ LYS A 81 -10.610 -9.668 4.713 1.00 0.00 N ATOM 0 H LYS A 81 -5.783 -6.283 6.358 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.342 -4.245 5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.199 -6.893 6.780 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.381 -5.735 6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.126 -5.779 3.932 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.224 -7.146 4.554 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.243 -6.982 4.085 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.100 -8.013 3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.682 -9.231 5.466 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.972 -8.279 6.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.776 -10.416 5.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.502 -9.170 4.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.253 -10.092 3.833 1.00 0.00 H new ATOM 969 N THR A 82 -7.568 -4.681 8.889 1.00 0.00 N ATOM 970 CA THR A 82 -8.014 -3.944 10.075 1.00 0.00 C ATOM 971 C THR A 82 -7.441 -2.541 10.033 1.00 0.00 C ATOM 972 O THR A 82 -8.177 -1.593 10.259 1.00 0.00 O ATOM 973 CB THR A 82 -7.649 -4.662 11.411 1.00 0.00 C ATOM 974 OG1 THR A 82 -8.552 -5.755 11.662 1.00 0.00 O ATOM 975 CG2 THR A 82 -7.626 -3.698 12.627 1.00 0.00 C ATOM 0 H THR A 82 -6.997 -5.505 9.076 1.00 0.00 H new ATOM 0 HA THR A 82 -9.103 -3.899 10.052 1.00 0.00 H new ATOM 0 HB THR A 82 -6.637 -5.047 11.290 1.00 0.00 H new ATOM 0 HG1 THR A 82 -8.307 -6.195 12.503 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.366 -4.254 13.528 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.886 -2.916 12.457 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.610 -3.246 12.751 1.00 0.00 H new ATOM 983 N GLU A 83 -6.133 -2.367 9.746 1.00 0.00 N ATOM 984 CA GLU A 83 -5.578 -1.013 9.675 1.00 0.00 C ATOM 985 C GLU A 83 -6.265 -0.231 8.573 1.00 0.00 C ATOM 986 O GLU A 83 -6.564 0.936 8.772 1.00 0.00 O ATOM 987 CB GLU A 83 -4.041 -0.995 9.430 1.00 0.00 C ATOM 988 CG GLU A 83 -3.241 -1.686 10.571 1.00 0.00 C ATOM 989 CD GLU A 83 -3.467 -1.032 11.912 1.00 0.00 C ATOM 990 OE1 GLU A 83 -3.549 0.224 11.963 1.00 0.00 O ATOM 991 OE2 GLU A 83 -3.562 -1.773 12.929 1.00 0.00 O ATOM 0 H GLU A 83 -5.469 -3.120 9.567 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.759 -0.552 10.646 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.822 -1.493 8.486 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.705 0.037 9.331 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.530 -2.736 10.629 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.178 -1.660 10.332 1.00 0.00 H new ATOM 998 N MET A 84 -6.536 -0.851 7.401 1.00 0.00 N ATOM 999 CA MET A 84 -7.254 -0.143 6.346 1.00 0.00 C ATOM 1000 C MET A 84 -8.664 0.124 6.825 1.00 0.00 C ATOM 1001 O MET A 84 -9.214 1.165 6.509 1.00 0.00 O ATOM 1002 CB MET A 84 -7.363 -0.924 5.004 1.00 0.00 C ATOM 1003 CG MET A 84 -5.992 -1.356 4.417 1.00 0.00 C ATOM 1004 SD MET A 84 -6.272 -1.966 2.716 1.00 0.00 S ATOM 1005 CE MET A 84 -5.184 -3.423 2.626 1.00 0.00 C ATOM 0 H MET A 84 -6.273 -1.811 7.177 1.00 0.00 H new ATOM 0 HA MET A 84 -6.683 0.764 6.147 1.00 0.00 H new ATOM 0 HB2 MET A 84 -7.977 -1.811 5.160 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.881 -0.302 4.274 1.00 0.00 H new ATOM 0 HG2 MET A 84 -5.298 -0.515 4.411 1.00 0.00 H new ATOM 0 HG3 MET A 84 -5.543 -2.136 5.032 1.00 0.00 H new ATOM 0 HE1 MET A 84 -4.829 -3.550 1.603 1.00 0.00 H new ATOM 0 HE2 MET A 84 -4.332 -3.282 3.291 1.00 0.00 H new ATOM 0 HE3 MET A 84 -5.739 -4.311 2.930 1.00 0.00 H new ATOM 1015 N ASP A 85 -9.284 -0.804 7.589 1.00 0.00 N ATOM 1016 CA ASP A 85 -10.652 -0.587 8.043 1.00 0.00 C ATOM 1017 C ASP A 85 -10.671 0.718 8.801 1.00 0.00 C ATOM 1018 O ASP A 85 -11.560 1.523 8.569 1.00 0.00 O ATOM 1019 CB ASP A 85 -11.210 -1.748 8.914 1.00 0.00 C ATOM 1020 CG ASP A 85 -12.687 -1.621 9.188 1.00 0.00 C ATOM 1021 OD1 ASP A 85 -13.399 -0.918 8.420 1.00 0.00 O ATOM 1022 OD2 ASP A 85 -13.158 -2.233 10.187 1.00 0.00 O ATOM 0 H ASP A 85 -8.863 -1.683 7.891 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.309 -0.551 7.174 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.020 -2.696 8.411 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.671 -1.776 9.861 1.00 0.00 H new ATOM 1027 N GLU A 86 -9.675 0.946 9.692 1.00 0.00 N ATOM 1028 CA GLU A 86 -9.607 2.226 10.387 1.00 0.00 C ATOM 1029 C GLU A 86 -9.562 3.348 9.378 1.00 0.00 C ATOM 1030 O GLU A 86 -10.344 4.266 9.542 1.00 0.00 O ATOM 1031 CB GLU A 86 -8.418 2.407 11.378 1.00 0.00 C ATOM 1032 CG GLU A 86 -8.719 1.804 12.778 1.00 0.00 C ATOM 1033 CD GLU A 86 -7.653 2.166 13.784 1.00 0.00 C ATOM 1034 OE1 GLU A 86 -6.476 2.361 13.373 1.00 0.00 O ATOM 1035 OE2 GLU A 86 -7.983 2.265 14.997 1.00 0.00 O ATOM 0 H GLU A 86 -8.940 0.280 9.931 1.00 0.00 H new ATOM 0 HA GLU A 86 -10.507 2.248 11.001 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.528 1.933 10.964 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.194 3.469 11.483 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.687 2.163 13.128 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.791 0.719 12.699 1.00 0.00 H new ATOM 1042 N TYR A 87 -8.679 3.322 8.353 1.00 0.00 N ATOM 1043 CA TYR A 87 -8.632 4.432 7.390 1.00 0.00 C ATOM 1044 C TYR A 87 -10.023 4.876 6.999 1.00 0.00 C ATOM 1045 O TYR A 87 -10.374 6.021 7.240 1.00 0.00 O ATOM 1046 CB TYR A 87 -7.799 4.091 6.113 1.00 0.00 C ATOM 1047 CG TYR A 87 -8.255 4.695 4.762 1.00 0.00 C ATOM 1048 CD1 TYR A 87 -8.696 6.019 4.625 1.00 0.00 C ATOM 1049 CD2 TYR A 87 -8.231 3.897 3.605 1.00 0.00 C ATOM 1050 CE1 TYR A 87 -9.066 6.541 3.384 1.00 0.00 C ATOM 1051 CE2 TYR A 87 -8.630 4.401 2.369 1.00 0.00 C ATOM 1052 CZ TYR A 87 -9.055 5.730 2.245 1.00 0.00 C ATOM 1053 OH TYR A 87 -9.454 6.211 0.994 1.00 0.00 O ATOM 0 H TYR A 87 -8.013 2.569 8.179 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.126 5.253 7.899 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -6.772 4.409 6.290 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -7.783 3.006 6.005 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -8.751 6.650 5.500 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.897 2.873 3.676 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -9.362 7.576 3.303 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -8.611 3.762 1.499 1.00 0.00 H new ATOM 0 HH TYR A 87 -9.374 5.496 0.328 1.00 0.00 H new ATOM 1063 N ILE A 88 -10.832 3.988 6.388 1.00 0.00 N ATOM 1064 CA ILE A 88 -12.127 4.431 5.872 1.00 0.00 C ATOM 1065 C ILE A 88 -12.972 4.926 7.029 1.00 0.00 C ATOM 1066 O ILE A 88 -13.588 5.974 6.915 1.00 0.00 O ATOM 1067 CB ILE A 88 -12.902 3.357 5.042 1.00 0.00 C ATOM 1068 CG1 ILE A 88 -11.975 2.594 4.038 1.00 0.00 C ATOM 1069 CG2 ILE A 88 -14.081 4.028 4.279 1.00 0.00 C ATOM 1070 CD1 ILE A 88 -11.705 1.131 4.487 1.00 0.00 C ATOM 0 H ILE A 88 -10.618 3.001 6.247 1.00 0.00 H new ATOM 0 HA ILE A 88 -11.924 5.234 5.164 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.289 2.619 5.745 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -12.436 2.590 3.051 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.028 3.125 3.945 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -14.617 3.274 3.702 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.762 4.490 4.994 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.691 4.791 3.605 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -11.057 0.641 3.760 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.219 1.134 5.462 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -12.649 0.591 4.554 1.00 0.00 H new ATOM 1082 N ARG A 89 -12.997 4.196 8.166 1.00 0.00 N ATOM 1083 CA ARG A 89 -13.754 4.662 9.333 1.00 0.00 C ATOM 1084 C ARG A 89 -13.236 6.002 9.831 1.00 0.00 C ATOM 1085 O ARG A 89 -14.022 6.784 10.343 1.00 0.00 O ATOM 1086 CB ARG A 89 -13.694 3.606 10.475 1.00 0.00 C ATOM 1087 CG ARG A 89 -14.510 2.328 10.123 1.00 0.00 C ATOM 1088 CD ARG A 89 -14.099 1.106 10.989 1.00 0.00 C ATOM 1089 NE ARG A 89 -15.110 0.052 10.836 1.00 0.00 N ATOM 1090 CZ ARG A 89 -16.174 -0.087 11.609 1.00 0.00 C ATOM 1091 NH1 ARG A 89 -16.480 0.735 12.584 1.00 0.00 N ATOM 1092 NH2 ARG A 89 -16.976 -1.106 11.385 1.00 0.00 N ATOM 0 H ARG A 89 -12.514 3.307 8.293 1.00 0.00 H new ATOM 0 HA ARG A 89 -14.791 4.795 9.025 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -12.656 3.334 10.664 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -14.082 4.043 11.395 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -15.572 2.528 10.263 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -14.367 2.088 9.069 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -13.121 0.737 10.680 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -14.014 1.398 12.036 1.00 0.00 H new ATOM 0 HE ARG A 89 -14.983 -0.621 10.080 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -15.882 1.537 12.781 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -17.316 0.572 13.145 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -16.769 -1.762 10.632 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -17.805 -1.240 11.965 1.00 0.00 H new ATOM 1106 N ASN A 90 -11.922 6.287 9.688 1.00 0.00 N ATOM 1107 CA ASN A 90 -11.354 7.572 10.103 1.00 0.00 C ATOM 1108 C ASN A 90 -11.574 8.640 9.052 1.00 0.00 C ATOM 1109 O ASN A 90 -11.446 9.806 9.392 1.00 0.00 O ATOM 1110 CB ASN A 90 -9.826 7.422 10.360 1.00 0.00 C ATOM 1111 CG ASN A 90 -9.185 8.731 10.770 1.00 0.00 C ATOM 1112 OD1 ASN A 90 -8.434 9.295 9.989 1.00 0.00 O ATOM 1113 ND2 ASN A 90 -9.463 9.247 11.987 1.00 0.00 N ATOM 0 H ASN A 90 -11.243 5.640 9.288 1.00 0.00 H new ATOM 0 HA ASN A 90 -11.860 7.875 11.020 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -9.662 6.679 11.140 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -9.342 7.049 9.457 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -9.042 10.130 12.275 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -10.094 8.753 12.618 1.00 0.00 H new ATOM 1120 N PHE A 91 -11.893 8.275 7.787 1.00 0.00 N ATOM 1121 CA PHE A 91 -12.045 9.267 6.722 1.00 0.00 C ATOM 1122 C PHE A 91 -13.348 9.000 5.994 1.00 0.00 C ATOM 1123 O PHE A 91 -13.402 9.123 4.780 1.00 0.00 O ATOM 1124 CB PHE A 91 -10.781 9.143 5.819 1.00 0.00 C ATOM 1125 CG PHE A 91 -10.093 10.487 5.552 1.00 0.00 C ATOM 1126 CD1 PHE A 91 -9.340 11.078 6.571 1.00 0.00 C ATOM 1127 CD2 PHE A 91 -10.187 11.122 4.306 1.00 0.00 C ATOM 1128 CE1 PHE A 91 -8.636 12.264 6.334 1.00 0.00 C ATOM 1129 CE2 PHE A 91 -9.486 12.306 4.069 1.00 0.00 C ATOM 1130 CZ PHE A 91 -8.702 12.873 5.081 1.00 0.00 C ATOM 0 H PHE A 91 -12.046 7.311 7.492 1.00 0.00 H new ATOM 0 HA PHE A 91 -12.106 10.292 7.086 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.070 8.466 6.292 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -11.065 8.693 4.868 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -9.301 10.617 7.547 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -10.803 10.695 3.528 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -8.043 12.707 7.120 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.549 12.785 3.103 1.00 0.00 H new ATOM 0 HZ PHE A 91 -8.149 13.781 4.892 1.00 0.00 H new ATOM 1140 N GLY A 92 -14.421 8.619 6.728 1.00 0.00 N ATOM 1141 CA GLY A 92 -15.660 8.226 6.062 1.00 0.00 C ATOM 1142 C GLY A 92 -16.255 9.383 5.309 1.00 0.00 C ATOM 1143 O GLY A 92 -16.855 10.267 5.897 1.00 0.00 O ATOM 0 H GLY A 92 -14.445 8.580 7.747 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -15.463 7.403 5.375 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -16.374 7.861 6.800 1.00 0.00 H new TER 1147 GLY A 92