USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ 148:sc=0.000966 (180deg=-0.34) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00291 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 162:sc= 0.41 (180deg=0.271) USER MOD Single : A 16 THR OG1 : rot -98:sc= -4.75! USER MOD Single : A 17 LYS NZ :NH3+ 138:sc= -0.323 (180deg=-1.36!) USER MOD Single : A 21 ASN : amide:sc= -3.23! C(o=-3.2!,f=-4.3!) USER MOD Single : A 22 ASN :FLIP amide:sc= -10! C(o=-18!,f=-10!) USER MOD Single : A 23 LYS NZ :NH3+ -126:sc=-0.00331 (180deg=-0.117) USER MOD Single : A 24 THR OG1 : rot -150:sc= -0.436 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -137:sc= -3.21 (180deg=-3.97) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -52:sc= 0.32 USER MOD Single : A 48 GLN : amide:sc= -1.89 K(o=-1.9,f=-3.9!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -40:sc= 0.115 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 162:sc= -0.939 (180deg=-2.02!) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -1.33 F(o=-2.3!,f=-1.3) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 20.724 6.806 9.972 1.00 0.00 N ATOM 2 CA SER A 1 20.374 6.720 8.526 1.00 0.00 C ATOM 3 C SER A 1 19.503 5.486 8.285 1.00 0.00 C ATOM 4 O SER A 1 18.319 5.591 8.030 1.00 0.00 O ATOM 5 CB SER A 1 21.653 6.610 7.696 1.00 0.00 C ATOM 6 OG SER A 1 22.444 7.774 7.897 1.00 0.00 O ATOM 0 H1 SER A 1 21.665 7.236 10.076 1.00 0.00 H new ATOM 0 H2 SER A 1 20.019 7.390 10.466 1.00 0.00 H new ATOM 0 H3 SER A 1 20.732 5.851 10.385 1.00 0.00 H new ATOM 0 HA SER A 1 19.826 7.615 8.232 1.00 0.00 H new ATOM 0 HB2 SER A 1 22.213 5.721 7.986 1.00 0.00 H new ATOM 0 HB3 SER A 1 21.407 6.501 6.640 1.00 0.00 H new ATOM 0 HG SER A 1 23.266 7.706 7.368 1.00 0.00 H new ATOM 14 N ASP A 2 20.076 4.317 8.364 1.00 0.00 N ATOM 15 CA ASP A 2 19.277 3.081 8.140 1.00 0.00 C ATOM 16 C ASP A 2 18.383 2.826 9.356 1.00 0.00 C ATOM 17 O ASP A 2 18.350 1.740 9.900 1.00 0.00 O ATOM 18 CB ASP A 2 20.218 1.893 7.935 1.00 0.00 C ATOM 19 CG ASP A 2 21.116 2.155 6.724 1.00 0.00 C ATOM 20 OD1 ASP A 2 21.988 3.002 6.830 1.00 0.00 O ATOM 21 OD2 ASP A 2 20.914 1.507 5.711 1.00 0.00 O ATOM 0 H ASP A 2 21.062 4.165 8.574 1.00 0.00 H new ATOM 0 HA ASP A 2 18.656 3.205 7.253 1.00 0.00 H new ATOM 0 HB2 ASP A 2 20.827 1.740 8.826 1.00 0.00 H new ATOM 0 HB3 ASP A 2 19.641 0.981 7.783 1.00 0.00 H new ATOM 26 N VAL A 3 17.660 3.826 9.789 1.00 0.00 N ATOM 27 CA VAL A 3 16.767 3.659 10.972 1.00 0.00 C ATOM 28 C VAL A 3 15.378 3.214 10.513 1.00 0.00 C ATOM 29 O VAL A 3 14.815 2.271 11.032 1.00 0.00 O ATOM 30 CB VAL A 3 16.645 4.993 11.698 1.00 0.00 C ATOM 31 CG1 VAL A 3 15.671 4.863 12.876 1.00 0.00 C ATOM 32 CG2 VAL A 3 18.022 5.423 12.211 1.00 0.00 C ATOM 0 H VAL A 3 17.650 4.756 9.371 1.00 0.00 H new ATOM 0 HA VAL A 3 17.188 2.906 11.639 1.00 0.00 H new ATOM 0 HB VAL A 3 16.264 5.744 11.006 1.00 0.00 H new ATOM 0 HG11 VAL A 3 15.590 5.821 13.389 1.00 0.00 H new ATOM 0 HG12 VAL A 3 14.690 4.566 12.506 1.00 0.00 H new ATOM 0 HG13 VAL A 3 16.040 4.109 13.572 1.00 0.00 H new ATOM 0 HG21 VAL A 3 17.935 6.377 12.730 1.00 0.00 H new ATOM 0 HG22 VAL A 3 18.406 4.669 12.899 1.00 0.00 H new ATOM 0 HG23 VAL A 3 18.707 5.529 11.370 1.00 0.00 H new ATOM 42 N TYR A 4 14.817 3.896 9.555 1.00 0.00 N ATOM 43 CA TYR A 4 13.454 3.529 9.073 1.00 0.00 C ATOM 44 C TYR A 4 13.504 2.171 8.369 1.00 0.00 C ATOM 45 O TYR A 4 12.677 1.319 8.608 1.00 0.00 O ATOM 46 CB TYR A 4 12.949 4.617 8.107 1.00 0.00 C ATOM 47 CG TYR A 4 12.254 5.725 8.877 1.00 0.00 C ATOM 48 CD1 TYR A 4 12.688 6.080 10.164 1.00 0.00 C ATOM 49 CD2 TYR A 4 11.170 6.395 8.299 1.00 0.00 C ATOM 50 CE1 TYR A 4 12.040 7.098 10.866 1.00 0.00 C ATOM 51 CE2 TYR A 4 10.521 7.415 9.002 1.00 0.00 C ATOM 52 CZ TYR A 4 10.955 7.768 10.286 1.00 0.00 C ATOM 53 OH TYR A 4 10.314 8.775 10.979 1.00 0.00 O ATOM 0 H TYR A 4 15.243 4.694 9.083 1.00 0.00 H new ATOM 0 HA TYR A 4 12.770 3.457 9.918 1.00 0.00 H new ATOM 0 HB2 TYR A 4 13.786 5.027 7.542 1.00 0.00 H new ATOM 0 HB3 TYR A 4 12.260 4.180 7.384 1.00 0.00 H new ATOM 0 HD1 TYR A 4 13.525 5.565 10.612 1.00 0.00 H new ATOM 0 HD2 TYR A 4 10.834 6.124 7.309 1.00 0.00 H new ATOM 0 HE1 TYR A 4 12.375 7.369 11.856 1.00 0.00 H new ATOM 0 HE2 TYR A 4 9.684 7.931 8.554 1.00 0.00 H new ATOM 0 HH TYR A 4 9.584 9.135 10.433 1.00 0.00 H new ATOM 63 N CYS A 5 14.458 1.959 7.504 1.00 0.00 N ATOM 64 CA CYS A 5 14.538 0.644 6.799 1.00 0.00 C ATOM 65 C CYS A 5 14.373 -0.488 7.824 1.00 0.00 C ATOM 66 O CYS A 5 13.610 -1.413 7.625 1.00 0.00 O ATOM 67 CB CYS A 5 15.894 0.521 6.088 1.00 0.00 C ATOM 68 SG CYS A 5 15.762 1.197 4.414 1.00 0.00 S ATOM 0 H CYS A 5 15.182 2.633 7.255 1.00 0.00 H new ATOM 0 HA CYS A 5 13.744 0.575 6.055 1.00 0.00 H new ATOM 0 HB2 CYS A 5 16.660 1.057 6.648 1.00 0.00 H new ATOM 0 HB3 CYS A 5 16.201 -0.524 6.046 1.00 0.00 H new ATOM 73 N GLU A 6 15.074 -0.416 8.923 1.00 0.00 N ATOM 74 CA GLU A 6 14.947 -1.484 9.955 1.00 0.00 C ATOM 75 C GLU A 6 13.517 -1.499 10.501 1.00 0.00 C ATOM 76 O GLU A 6 12.875 -2.529 10.561 1.00 0.00 O ATOM 77 CB GLU A 6 15.928 -1.208 11.097 1.00 0.00 C ATOM 78 CG GLU A 6 17.360 -1.241 10.559 1.00 0.00 C ATOM 79 CD GLU A 6 18.337 -0.904 11.687 1.00 0.00 C ATOM 80 OE1 GLU A 6 18.123 -1.377 12.791 1.00 0.00 O ATOM 81 OE2 GLU A 6 19.283 -0.178 11.427 1.00 0.00 O ATOM 0 H GLU A 6 15.727 0.334 9.150 1.00 0.00 H new ATOM 0 HA GLU A 6 15.174 -2.452 9.507 1.00 0.00 H new ATOM 0 HB2 GLU A 6 15.718 -0.236 11.544 1.00 0.00 H new ATOM 0 HB3 GLU A 6 15.806 -1.953 11.883 1.00 0.00 H new ATOM 0 HG2 GLU A 6 17.584 -2.227 10.152 1.00 0.00 H new ATOM 0 HG3 GLU A 6 17.470 -0.527 9.743 1.00 0.00 H new ATOM 88 N VAL A 7 13.014 -0.363 10.898 1.00 0.00 N ATOM 89 CA VAL A 7 11.627 -0.304 11.440 1.00 0.00 C ATOM 90 C VAL A 7 10.637 -0.682 10.336 1.00 0.00 C ATOM 91 O VAL A 7 9.963 -1.692 10.401 1.00 0.00 O ATOM 92 CB VAL A 7 11.324 1.124 11.911 1.00 0.00 C ATOM 93 CG1 VAL A 7 9.941 1.163 12.564 1.00 0.00 C ATOM 94 CG2 VAL A 7 12.382 1.579 12.926 1.00 0.00 C ATOM 0 H VAL A 7 13.506 0.530 10.870 1.00 0.00 H new ATOM 0 HA VAL A 7 11.534 -0.997 12.276 1.00 0.00 H new ATOM 0 HB VAL A 7 11.343 1.794 11.052 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.725 2.178 12.899 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.188 0.852 11.840 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.923 0.487 13.419 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.158 2.594 13.254 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.373 0.909 13.786 1.00 0.00 H new ATOM 0 HG23 VAL A 7 13.367 1.557 12.459 1.00 0.00 H new ATOM 104 N CYS A 8 10.550 0.134 9.325 1.00 0.00 N ATOM 105 CA CYS A 8 9.616 -0.134 8.198 1.00 0.00 C ATOM 106 C CYS A 8 9.724 -1.601 7.750 1.00 0.00 C ATOM 107 O CYS A 8 8.893 -2.089 7.011 1.00 0.00 O ATOM 108 CB CYS A 8 9.982 0.803 7.040 1.00 0.00 C ATOM 109 SG CYS A 8 9.317 0.177 5.481 1.00 0.00 S ATOM 0 H CYS A 8 11.096 0.990 9.230 1.00 0.00 H new ATOM 0 HA CYS A 8 8.589 0.045 8.515 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.589 1.801 7.235 1.00 0.00 H new ATOM 0 HB3 CYS A 8 11.066 0.895 6.968 1.00 0.00 H new ATOM 114 N GLU A 9 10.733 -2.310 8.187 1.00 0.00 N ATOM 115 CA GLU A 9 10.861 -3.756 7.760 1.00 0.00 C ATOM 116 C GLU A 9 10.056 -4.654 8.705 1.00 0.00 C ATOM 117 O GLU A 9 9.374 -5.564 8.276 1.00 0.00 O ATOM 118 CB GLU A 9 12.330 -4.232 7.758 1.00 0.00 C ATOM 119 CG GLU A 9 12.387 -5.658 7.209 1.00 0.00 C ATOM 120 CD GLU A 9 13.847 -6.069 7.006 1.00 0.00 C ATOM 121 OE1 GLU A 9 14.500 -5.470 6.168 1.00 0.00 O ATOM 122 OE2 GLU A 9 14.286 -6.977 7.692 1.00 0.00 O ATOM 0 H GLU A 9 11.466 -1.968 8.809 1.00 0.00 H new ATOM 0 HA GLU A 9 10.474 -3.825 6.743 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.941 -3.568 7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.738 -4.200 8.768 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.897 -6.345 7.900 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.847 -5.717 6.264 1.00 0.00 H new ATOM 129 N PHE A 10 10.138 -4.419 9.985 1.00 0.00 N ATOM 130 CA PHE A 10 9.391 -5.277 10.951 1.00 0.00 C ATOM 131 C PHE A 10 7.890 -4.969 10.894 1.00 0.00 C ATOM 132 O PHE A 10 7.073 -5.770 11.302 1.00 0.00 O ATOM 133 CB PHE A 10 9.911 -5.013 12.366 1.00 0.00 C ATOM 134 CG PHE A 10 9.095 -5.808 13.362 1.00 0.00 C ATOM 135 CD1 PHE A 10 9.135 -7.206 13.337 1.00 0.00 C ATOM 136 CD2 PHE A 10 8.299 -5.148 14.309 1.00 0.00 C ATOM 137 CE1 PHE A 10 8.381 -7.945 14.257 1.00 0.00 C ATOM 138 CE2 PHE A 10 7.545 -5.887 15.227 1.00 0.00 C ATOM 139 CZ PHE A 10 7.587 -7.287 15.201 1.00 0.00 C ATOM 0 H PHE A 10 10.689 -3.671 10.405 1.00 0.00 H new ATOM 0 HA PHE A 10 9.544 -6.323 10.686 1.00 0.00 H new ATOM 0 HB2 PHE A 10 10.962 -5.292 12.436 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.848 -3.949 12.595 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.748 -7.716 12.608 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.268 -4.069 14.330 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.413 -9.024 14.237 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.931 -5.378 15.955 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.006 -7.858 15.910 1.00 0.00 H new ATOM 149 N LEU A 11 7.516 -3.818 10.405 1.00 0.00 N ATOM 150 CA LEU A 11 6.063 -3.473 10.341 1.00 0.00 C ATOM 151 C LEU A 11 5.448 -4.020 9.054 1.00 0.00 C ATOM 152 O LEU A 11 4.428 -4.678 9.074 1.00 0.00 O ATOM 153 CB LEU A 11 5.897 -1.952 10.367 1.00 0.00 C ATOM 154 CG LEU A 11 6.732 -1.361 11.505 1.00 0.00 C ATOM 155 CD1 LEU A 11 6.561 0.159 11.520 1.00 0.00 C ATOM 156 CD2 LEU A 11 6.264 -1.945 12.847 1.00 0.00 C ATOM 0 H LEU A 11 8.149 -3.103 10.048 1.00 0.00 H new ATOM 0 HA LEU A 11 5.558 -3.917 11.199 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.211 -1.526 9.414 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.847 -1.693 10.502 1.00 0.00 H new ATOM 0 HG LEU A 11 7.782 -1.609 11.353 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.154 0.584 12.330 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.896 0.572 10.569 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.510 0.405 11.672 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.860 -1.522 13.656 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.214 -1.699 13.004 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.385 -3.028 12.835 1.00 0.00 H new ATOM 168 N VAL A 12 6.050 -3.742 7.931 1.00 0.00 N ATOM 169 CA VAL A 12 5.489 -4.230 6.641 1.00 0.00 C ATOM 170 C VAL A 12 5.390 -5.757 6.644 1.00 0.00 C ATOM 171 O VAL A 12 4.557 -6.320 5.974 1.00 0.00 O ATOM 172 CB VAL A 12 6.391 -3.774 5.499 1.00 0.00 C ATOM 173 CG1 VAL A 12 7.742 -4.479 5.600 1.00 0.00 C ATOM 174 CG2 VAL A 12 5.733 -4.099 4.155 1.00 0.00 C ATOM 0 H VAL A 12 6.908 -3.197 7.851 1.00 0.00 H new ATOM 0 HA VAL A 12 4.488 -3.819 6.509 1.00 0.00 H new ATOM 0 HB VAL A 12 6.542 -2.697 5.568 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.385 -4.152 4.783 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.211 -4.232 6.552 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.595 -5.557 5.537 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.382 -3.771 3.343 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.572 -5.174 4.079 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.775 -3.583 4.085 1.00 0.00 H new ATOM 184 N LYS A 13 6.238 -6.423 7.385 1.00 0.00 N ATOM 185 CA LYS A 13 6.197 -7.922 7.431 1.00 0.00 C ATOM 186 C LYS A 13 5.165 -8.387 8.468 1.00 0.00 C ATOM 187 O LYS A 13 4.472 -9.365 8.268 1.00 0.00 O ATOM 188 CB LYS A 13 7.585 -8.442 7.811 1.00 0.00 C ATOM 189 CG LYS A 13 7.594 -9.999 7.903 1.00 0.00 C ATOM 190 CD LYS A 13 8.019 -10.458 9.308 1.00 0.00 C ATOM 191 CE LYS A 13 6.878 -10.223 10.302 1.00 0.00 C ATOM 192 NZ LYS A 13 7.211 -10.873 11.600 1.00 0.00 N ATOM 0 H LYS A 13 6.961 -5.995 7.963 1.00 0.00 H new ATOM 0 HA LYS A 13 5.910 -8.312 6.454 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.315 -8.114 7.071 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.887 -8.016 8.768 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.602 -10.388 7.673 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.277 -10.408 7.159 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.285 -11.515 9.290 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.907 -9.912 9.625 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.722 -9.154 10.447 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.947 -10.630 9.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.613 -10.474 12.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.042 -11.897 11.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.211 -10.702 11.827 1.00 0.00 H new ATOM 206 N GLU A 14 5.050 -7.697 9.571 1.00 0.00 N ATOM 207 CA GLU A 14 4.053 -8.111 10.602 1.00 0.00 C ATOM 208 C GLU A 14 2.655 -7.734 10.107 1.00 0.00 C ATOM 209 O GLU A 14 1.749 -8.542 10.046 1.00 0.00 O ATOM 210 CB GLU A 14 4.344 -7.386 11.919 1.00 0.00 C ATOM 211 CG GLU A 14 3.501 -8.000 13.037 1.00 0.00 C ATOM 212 CD GLU A 14 4.066 -9.372 13.408 1.00 0.00 C ATOM 213 OE1 GLU A 14 5.274 -9.478 13.536 1.00 0.00 O ATOM 214 OE2 GLU A 14 3.281 -10.293 13.558 1.00 0.00 O ATOM 0 H GLU A 14 5.599 -6.869 9.803 1.00 0.00 H new ATOM 0 HA GLU A 14 4.113 -9.187 10.768 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.403 -7.464 12.163 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.118 -6.324 11.820 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.503 -7.346 13.909 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.465 -8.097 12.714 1.00 0.00 H new ATOM 221 N VAL A 15 2.473 -6.510 9.723 1.00 0.00 N ATOM 222 CA VAL A 15 1.145 -6.097 9.205 1.00 0.00 C ATOM 223 C VAL A 15 0.736 -7.090 8.121 1.00 0.00 C ATOM 224 O VAL A 15 -0.380 -7.551 8.081 1.00 0.00 O ATOM 225 CB VAL A 15 1.229 -4.674 8.634 1.00 0.00 C ATOM 226 CG1 VAL A 15 1.987 -4.680 7.301 1.00 0.00 C ATOM 227 CG2 VAL A 15 -0.188 -4.133 8.416 1.00 0.00 C ATOM 0 H VAL A 15 3.182 -5.777 9.744 1.00 0.00 H new ATOM 0 HA VAL A 15 0.403 -6.094 10.003 1.00 0.00 H new ATOM 0 HB VAL A 15 1.764 -4.037 9.339 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.039 -3.665 6.907 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.996 -5.060 7.458 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.465 -5.319 6.589 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.133 -3.123 8.011 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.719 -4.777 7.715 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.721 -4.114 9.367 1.00 0.00 H new ATOM 237 N THR A 16 1.657 -7.436 7.261 1.00 0.00 N ATOM 238 CA THR A 16 1.353 -8.415 6.181 1.00 0.00 C ATOM 239 C THR A 16 0.758 -9.685 6.798 1.00 0.00 C ATOM 240 O THR A 16 -0.240 -10.195 6.340 1.00 0.00 O ATOM 241 CB THR A 16 2.658 -8.754 5.441 1.00 0.00 C ATOM 242 OG1 THR A 16 3.735 -8.388 6.262 1.00 0.00 O ATOM 243 CG2 THR A 16 2.723 -7.987 4.117 1.00 0.00 C ATOM 0 H THR A 16 2.613 -7.079 7.262 1.00 0.00 H new ATOM 0 HA THR A 16 0.634 -7.991 5.481 1.00 0.00 H new ATOM 0 HB THR A 16 2.700 -9.821 5.222 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.073 -7.510 5.987 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.650 -8.233 3.599 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.874 -8.266 3.493 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.691 -6.916 4.315 1.00 0.00 H new ATOM 251 N LYS A 17 1.374 -10.209 7.828 1.00 0.00 N ATOM 252 CA LYS A 17 0.843 -11.454 8.459 1.00 0.00 C ATOM 253 C LYS A 17 -0.672 -11.320 8.645 1.00 0.00 C ATOM 254 O LYS A 17 -1.410 -12.273 8.496 1.00 0.00 O ATOM 255 CB LYS A 17 1.523 -11.681 9.818 1.00 0.00 C ATOM 256 CG LYS A 17 2.912 -12.298 9.602 1.00 0.00 C ATOM 257 CD LYS A 17 3.666 -12.390 10.940 1.00 0.00 C ATOM 258 CE LYS A 17 3.216 -13.631 11.719 1.00 0.00 C ATOM 259 NZ LYS A 17 3.433 -14.849 10.886 1.00 0.00 N ATOM 0 H LYS A 17 2.218 -9.830 8.257 1.00 0.00 H new ATOM 0 HA LYS A 17 1.053 -12.308 7.815 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.613 -10.736 10.353 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.913 -12.340 10.436 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.813 -13.291 9.163 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.481 -11.693 8.896 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.740 -12.436 10.758 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.481 -11.494 11.532 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.776 -13.711 12.651 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.163 -13.543 11.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.823 -15.610 11.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.527 -15.157 10.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.101 -14.631 10.119 1.00 0.00 H new ATOM 273 N LEU A 18 -1.143 -10.138 8.954 1.00 0.00 N ATOM 274 CA LEU A 18 -2.619 -9.936 9.134 1.00 0.00 C ATOM 275 C LEU A 18 -3.225 -9.432 7.806 1.00 0.00 C ATOM 276 O LEU A 18 -4.311 -9.819 7.425 1.00 0.00 O ATOM 277 CB LEU A 18 -2.834 -8.953 10.319 1.00 0.00 C ATOM 278 CG LEU A 18 -3.268 -7.552 9.850 1.00 0.00 C ATOM 279 CD1 LEU A 18 -4.735 -7.582 9.356 1.00 0.00 C ATOM 280 CD2 LEU A 18 -3.118 -6.574 11.024 1.00 0.00 C ATOM 0 H LEU A 18 -0.573 -9.303 9.090 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.130 -10.867 9.380 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.591 -9.358 10.991 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.910 -8.871 10.892 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.640 -7.229 9.020 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.029 -6.585 9.027 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.824 -8.280 8.523 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.386 -7.903 10.169 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.422 -5.576 10.707 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.748 -6.900 11.852 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.077 -6.551 11.348 1.00 0.00 H new ATOM 292 N ILE A 19 -2.527 -8.584 7.105 1.00 0.00 N ATOM 293 CA ILE A 19 -3.034 -8.057 5.806 1.00 0.00 C ATOM 294 C ILE A 19 -2.994 -9.182 4.769 1.00 0.00 C ATOM 295 O ILE A 19 -3.625 -9.105 3.733 1.00 0.00 O ATOM 296 CB ILE A 19 -2.100 -6.893 5.393 1.00 0.00 C ATOM 297 CG1 ILE A 19 -2.798 -5.545 5.577 1.00 0.00 C ATOM 298 CG2 ILE A 19 -1.626 -7.000 3.934 1.00 0.00 C ATOM 299 CD1 ILE A 19 -1.762 -4.414 5.517 1.00 0.00 C ATOM 0 H ILE A 19 -1.612 -8.228 7.381 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.061 -7.700 5.883 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.229 -6.963 6.044 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.549 -5.405 4.800 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.320 -5.523 6.533 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.975 -6.158 3.700 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.077 -7.932 3.797 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.490 -6.986 3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.263 -3.455 5.648 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.027 -4.551 6.310 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.260 -4.432 4.550 1.00 0.00 H new ATOM 311 N ASP A 20 -2.222 -10.198 5.036 1.00 0.00 N ATOM 312 CA ASP A 20 -2.077 -11.327 4.075 1.00 0.00 C ATOM 313 C ASP A 20 -3.417 -11.634 3.391 1.00 0.00 C ATOM 314 O ASP A 20 -3.490 -11.740 2.184 1.00 0.00 O ATOM 315 CB ASP A 20 -1.596 -12.570 4.824 1.00 0.00 C ATOM 316 CG ASP A 20 -2.590 -12.914 5.935 1.00 0.00 C ATOM 317 OD1 ASP A 20 -3.040 -11.998 6.605 1.00 0.00 O ATOM 318 OD2 ASP A 20 -2.886 -14.087 6.097 1.00 0.00 O ATOM 0 H ASP A 20 -1.677 -10.295 5.893 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.352 -11.045 3.312 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.501 -13.409 4.134 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.608 -12.392 5.248 1.00 0.00 H new ATOM 323 N ASN A 21 -4.478 -11.775 4.150 1.00 0.00 N ATOM 324 CA ASN A 21 -5.800 -12.077 3.524 1.00 0.00 C ATOM 325 C ASN A 21 -6.948 -11.757 4.491 1.00 0.00 C ATOM 326 O ASN A 21 -8.104 -11.927 4.158 1.00 0.00 O ATOM 327 CB ASN A 21 -5.862 -13.564 3.168 1.00 0.00 C ATOM 328 CG ASN A 21 -4.987 -13.847 1.947 1.00 0.00 C ATOM 329 OD1 ASN A 21 -3.838 -14.222 2.082 1.00 0.00 O ATOM 330 ND2 ASN A 21 -5.482 -13.684 0.751 1.00 0.00 N ATOM 0 H ASN A 21 -4.484 -11.694 5.167 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.906 -11.463 2.630 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.525 -14.163 4.014 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.892 -13.854 2.962 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.905 -13.871 -0.069 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.446 -13.370 0.636 1.00 0.00 H new ATOM 337 N ASN A 22 -6.653 -11.313 5.679 1.00 0.00 N ATOM 338 CA ASN A 22 -7.750 -11.009 6.646 1.00 0.00 C ATOM 339 C ASN A 22 -8.842 -10.179 5.960 1.00 0.00 C ATOM 340 O ASN A 22 -10.018 -10.443 6.112 1.00 0.00 O ATOM 341 CB ASN A 22 -7.188 -10.229 7.837 1.00 0.00 C ATOM 342 CG ASN A 22 -6.762 -8.837 7.376 1.00 0.00 C ATOM 343 OD1 ASN A 22 -6.138 -8.709 6.239 1.00 0.00 O flip ATOM 344 ND2 ASN A 22 -7.008 -7.857 8.051 1.00 0.00 N flip ATOM 0 H ASN A 22 -5.707 -11.147 6.024 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.181 -11.947 6.996 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.940 -10.150 8.622 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.337 -10.759 8.264 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.497 -7.960 8.940 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.726 -6.931 7.728 1.00 0.00 H new ATOM 351 N LYS A 23 -8.457 -9.174 5.213 1.00 0.00 N ATOM 352 CA LYS A 23 -9.457 -8.307 4.511 1.00 0.00 C ATOM 353 C LYS A 23 -9.311 -8.486 2.998 1.00 0.00 C ATOM 354 O LYS A 23 -8.218 -8.581 2.476 1.00 0.00 O ATOM 355 CB LYS A 23 -9.204 -6.848 4.913 1.00 0.00 C ATOM 356 CG LYS A 23 -7.850 -6.358 4.347 1.00 0.00 C ATOM 357 CD LYS A 23 -8.079 -5.562 3.054 1.00 0.00 C ATOM 358 CE LYS A 23 -6.803 -5.559 2.209 1.00 0.00 C ATOM 359 NZ LYS A 23 -5.709 -4.885 2.962 1.00 0.00 N ATOM 0 H LYS A 23 -7.483 -8.914 5.057 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.472 -8.586 4.793 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.011 -6.217 4.540 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.205 -6.758 5.999 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.343 -5.734 5.083 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.199 -7.210 4.149 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.900 -6.002 2.487 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.369 -4.539 3.293 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.514 -6.581 1.964 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.980 -5.043 1.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.305 -4.123 2.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.090 -4.484 3.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.967 -5.577 3.190 1.00 0.00 H new ATOM 373 N THR A 24 -10.412 -8.550 2.289 1.00 0.00 N ATOM 374 CA THR A 24 -10.352 -8.745 0.805 1.00 0.00 C ATOM 375 C THR A 24 -10.431 -7.393 0.085 1.00 0.00 C ATOM 376 O THR A 24 -10.320 -6.346 0.689 1.00 0.00 O ATOM 377 CB THR A 24 -11.521 -9.630 0.368 1.00 0.00 C ATOM 378 OG1 THR A 24 -12.722 -9.151 0.957 1.00 0.00 O ATOM 379 CG2 THR A 24 -11.264 -11.071 0.821 1.00 0.00 C ATOM 0 H THR A 24 -11.353 -8.475 2.675 1.00 0.00 H new ATOM 0 HA THR A 24 -9.408 -9.223 0.545 1.00 0.00 H new ATOM 0 HB THR A 24 -11.615 -9.603 -0.718 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.339 -9.900 1.097 1.00 0.00 H new ATOM 0 HG21 THR A 24 -12.096 -11.704 0.511 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.342 -11.436 0.368 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.171 -11.100 1.907 1.00 0.00 H new ATOM 387 N GLU A 25 -10.600 -7.413 -1.212 1.00 0.00 N ATOM 388 CA GLU A 25 -10.659 -6.136 -1.990 1.00 0.00 C ATOM 389 C GLU A 25 -12.095 -5.623 -2.102 1.00 0.00 C ATOM 390 O GLU A 25 -12.370 -4.691 -2.830 1.00 0.00 O ATOM 391 CB GLU A 25 -10.117 -6.379 -3.399 1.00 0.00 C ATOM 392 CG GLU A 25 -10.811 -7.594 -4.037 1.00 0.00 C ATOM 393 CD GLU A 25 -10.142 -8.888 -3.564 1.00 0.00 C ATOM 394 OE1 GLU A 25 -8.924 -8.915 -3.503 1.00 0.00 O ATOM 395 OE2 GLU A 25 -10.860 -9.830 -3.271 1.00 0.00 O ATOM 0 H GLU A 25 -10.700 -8.261 -1.769 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.059 -5.391 -1.467 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.278 -5.495 -4.015 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.041 -6.547 -3.358 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.867 -7.602 -3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.759 -7.524 -5.123 1.00 0.00 H new ATOM 402 N LYS A 26 -13.011 -6.208 -1.391 1.00 0.00 N ATOM 403 CA LYS A 26 -14.419 -5.735 -1.466 1.00 0.00 C ATOM 404 C LYS A 26 -14.575 -4.565 -0.502 1.00 0.00 C ATOM 405 O LYS A 26 -15.190 -3.561 -0.811 1.00 0.00 O ATOM 406 CB LYS A 26 -15.367 -6.876 -1.068 1.00 0.00 C ATOM 407 CG LYS A 26 -15.592 -7.810 -2.271 1.00 0.00 C ATOM 408 CD LYS A 26 -16.068 -9.196 -1.790 1.00 0.00 C ATOM 409 CE LYS A 26 -14.861 -10.087 -1.472 1.00 0.00 C ATOM 410 NZ LYS A 26 -15.317 -11.289 -0.718 1.00 0.00 N ATOM 0 H LYS A 26 -12.848 -6.993 -0.761 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.664 -5.419 -2.480 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.946 -7.437 -0.234 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.319 -6.468 -0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.333 -7.377 -2.943 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -14.667 -7.912 -2.839 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.693 -9.087 -0.904 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -16.683 -9.665 -2.558 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.365 -10.389 -2.395 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.130 -9.532 -0.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.499 -11.894 -0.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.771 -10.991 0.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.999 -11.822 -1.294 1.00 0.00 H new ATOM 424 N GLU A 27 -14.007 -4.683 0.663 1.00 0.00 N ATOM 425 CA GLU A 27 -14.105 -3.579 1.647 1.00 0.00 C ATOM 426 C GLU A 27 -13.163 -2.451 1.227 1.00 0.00 C ATOM 427 O GLU A 27 -13.261 -1.333 1.694 1.00 0.00 O ATOM 428 CB GLU A 27 -13.707 -4.089 3.035 1.00 0.00 C ATOM 429 CG GLU A 27 -14.630 -5.238 3.445 1.00 0.00 C ATOM 430 CD GLU A 27 -14.328 -5.645 4.889 1.00 0.00 C ATOM 431 OE1 GLU A 27 -13.236 -5.353 5.349 1.00 0.00 O ATOM 432 OE2 GLU A 27 -15.192 -6.242 5.509 1.00 0.00 O ATOM 0 H GLU A 27 -13.479 -5.498 0.975 1.00 0.00 H new ATOM 0 HA GLU A 27 -15.130 -3.209 1.682 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.671 -4.427 3.026 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.772 -3.280 3.763 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -15.672 -4.932 3.353 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.487 -6.089 2.779 1.00 0.00 H new ATOM 439 N ILE A 28 -12.242 -2.741 0.347 1.00 0.00 N ATOM 440 CA ILE A 28 -11.282 -1.707 -0.107 1.00 0.00 C ATOM 441 C ILE A 28 -11.906 -0.875 -1.225 1.00 0.00 C ATOM 442 O ILE A 28 -12.249 0.275 -1.040 1.00 0.00 O ATOM 443 CB ILE A 28 -10.035 -2.402 -0.645 1.00 0.00 C ATOM 444 CG1 ILE A 28 -9.375 -3.224 0.473 1.00 0.00 C ATOM 445 CG2 ILE A 28 -9.060 -1.361 -1.176 1.00 0.00 C ATOM 446 CD1 ILE A 28 -8.923 -2.328 1.641 1.00 0.00 C ATOM 0 H ILE A 28 -12.117 -3.660 -0.077 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.026 -1.055 0.728 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.316 -3.073 -1.457 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.078 -3.973 0.838 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.516 -3.762 0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.170 -1.859 -1.560 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.533 -0.795 -1.978 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.778 -0.683 -0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.461 -2.943 2.413 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.201 -1.596 1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.787 -1.810 2.058 1.00 0.00 H new ATOM 458 N LEU A 29 -12.045 -1.448 -2.390 1.00 0.00 N ATOM 459 CA LEU A 29 -12.637 -0.693 -3.529 1.00 0.00 C ATOM 460 C LEU A 29 -13.895 0.034 -3.058 1.00 0.00 C ATOM 461 O LEU A 29 -14.240 1.086 -3.559 1.00 0.00 O ATOM 462 CB LEU A 29 -12.983 -1.662 -4.659 1.00 0.00 C ATOM 463 CG LEU A 29 -11.727 -2.440 -5.071 1.00 0.00 C ATOM 464 CD1 LEU A 29 -12.121 -3.582 -6.009 1.00 0.00 C ATOM 465 CD2 LEU A 29 -10.732 -1.505 -5.781 1.00 0.00 C ATOM 0 H LEU A 29 -11.773 -2.408 -2.601 1.00 0.00 H new ATOM 0 HA LEU A 29 -11.918 0.039 -3.897 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -13.761 -2.353 -4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -13.380 -1.114 -5.513 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.251 -2.847 -4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.229 -4.136 -6.303 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -12.812 -4.252 -5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -12.603 -3.173 -6.897 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.845 -2.069 -6.069 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.199 -1.085 -6.672 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.446 -0.698 -5.106 1.00 0.00 H new ATOM 477 N ASP A 30 -14.568 -0.498 -2.075 1.00 0.00 N ATOM 478 CA ASP A 30 -15.778 0.196 -1.561 1.00 0.00 C ATOM 479 C ASP A 30 -15.313 1.458 -0.848 1.00 0.00 C ATOM 480 O ASP A 30 -15.880 2.524 -0.994 1.00 0.00 O ATOM 481 CB ASP A 30 -16.513 -0.702 -0.562 1.00 0.00 C ATOM 482 CG ASP A 30 -17.268 -1.802 -1.313 1.00 0.00 C ATOM 483 OD1 ASP A 30 -17.443 -1.663 -2.512 1.00 0.00 O ATOM 484 OD2 ASP A 30 -17.657 -2.766 -0.675 1.00 0.00 O ATOM 0 H ASP A 30 -14.334 -1.375 -1.610 1.00 0.00 H new ATOM 0 HA ASP A 30 -16.455 0.433 -2.382 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.801 -1.146 0.134 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -17.210 -0.109 0.030 1.00 0.00 H new ATOM 489 N ALA A 31 -14.272 1.335 -0.076 1.00 0.00 N ATOM 490 CA ALA A 31 -13.746 2.508 0.657 1.00 0.00 C ATOM 491 C ALA A 31 -13.541 3.671 -0.299 1.00 0.00 C ATOM 492 O ALA A 31 -13.867 4.797 0.008 1.00 0.00 O ATOM 493 CB ALA A 31 -12.431 2.145 1.323 1.00 0.00 C ATOM 0 H ALA A 31 -13.762 0.465 0.077 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.465 2.805 1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.045 3.010 1.862 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.591 1.324 2.022 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -11.711 1.840 0.564 1.00 0.00 H new ATOM 499 N PHE A 32 -13.004 3.430 -1.454 1.00 0.00 N ATOM 500 CA PHE A 32 -12.801 4.558 -2.393 1.00 0.00 C ATOM 501 C PHE A 32 -14.169 5.073 -2.835 1.00 0.00 C ATOM 502 O PHE A 32 -14.360 6.254 -3.050 1.00 0.00 O ATOM 503 CB PHE A 32 -11.992 4.090 -3.601 1.00 0.00 C ATOM 504 CG PHE A 32 -10.582 3.778 -3.161 1.00 0.00 C ATOM 505 CD1 PHE A 32 -10.279 2.525 -2.613 1.00 0.00 C ATOM 506 CD2 PHE A 32 -9.577 4.743 -3.303 1.00 0.00 C ATOM 507 CE1 PHE A 32 -8.967 2.239 -2.211 1.00 0.00 C ATOM 508 CE2 PHE A 32 -8.268 4.456 -2.900 1.00 0.00 C ATOM 509 CZ PHE A 32 -7.963 3.204 -2.357 1.00 0.00 C ATOM 0 H PHE A 32 -12.700 2.515 -1.786 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.249 5.360 -1.903 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -12.452 3.206 -4.042 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -11.984 4.862 -4.370 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.054 1.781 -2.501 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.812 5.709 -3.724 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.730 1.274 -1.788 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.494 5.201 -3.008 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.952 2.981 -2.050 1.00 0.00 H new ATOM 519 N ASP A 33 -15.136 4.202 -2.941 1.00 0.00 N ATOM 520 CA ASP A 33 -16.495 4.659 -3.330 1.00 0.00 C ATOM 521 C ASP A 33 -17.087 5.402 -2.138 1.00 0.00 C ATOM 522 O ASP A 33 -18.194 5.902 -2.180 1.00 0.00 O ATOM 523 CB ASP A 33 -17.369 3.450 -3.675 1.00 0.00 C ATOM 524 CG ASP A 33 -18.750 3.929 -4.124 1.00 0.00 C ATOM 525 OD1 ASP A 33 -18.838 5.038 -4.624 1.00 0.00 O ATOM 526 OD2 ASP A 33 -19.699 3.179 -3.962 1.00 0.00 O ATOM 0 H ASP A 33 -15.042 3.200 -2.776 1.00 0.00 H new ATOM 0 HA ASP A 33 -16.448 5.310 -4.203 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -16.901 2.864 -4.466 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -17.463 2.797 -2.807 1.00 0.00 H new ATOM 531 N LYS A 34 -16.337 5.464 -1.065 1.00 0.00 N ATOM 532 CA LYS A 34 -16.801 6.162 0.173 1.00 0.00 C ATOM 533 C LYS A 34 -15.870 7.343 0.467 1.00 0.00 C ATOM 534 O LYS A 34 -16.248 8.492 0.357 1.00 0.00 O ATOM 535 CB LYS A 34 -16.740 5.174 1.347 1.00 0.00 C ATOM 536 CG LYS A 34 -17.837 4.094 1.198 1.00 0.00 C ATOM 537 CD LYS A 34 -17.384 2.771 1.846 1.00 0.00 C ATOM 538 CE LYS A 34 -16.786 3.030 3.237 1.00 0.00 C ATOM 539 NZ LYS A 34 -17.016 1.839 4.103 1.00 0.00 N ATOM 0 H LYS A 34 -15.406 5.053 -0.995 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.820 6.523 0.036 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -15.758 4.702 1.383 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -16.872 5.708 2.288 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -18.760 4.438 1.666 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.056 3.933 0.142 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -18.232 2.091 1.929 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.645 2.283 1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -15.718 3.233 3.154 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.244 3.912 3.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -16.612 2.012 5.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.038 1.666 4.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -16.559 1.007 3.678 1.00 0.00 H new ATOM 553 N MET A 35 -14.654 7.059 0.847 1.00 0.00 N ATOM 554 CA MET A 35 -13.682 8.144 1.159 1.00 0.00 C ATOM 555 C MET A 35 -13.420 8.977 -0.107 1.00 0.00 C ATOM 556 O MET A 35 -13.357 10.189 -0.053 1.00 0.00 O ATOM 557 CB MET A 35 -12.396 7.494 1.741 1.00 0.00 C ATOM 558 CG MET A 35 -11.108 8.019 1.086 1.00 0.00 C ATOM 559 SD MET A 35 -10.891 7.265 -0.545 1.00 0.00 S ATOM 560 CE MET A 35 -10.519 5.585 0.015 1.00 0.00 C ATOM 0 H MET A 35 -14.290 6.112 0.955 1.00 0.00 H new ATOM 0 HA MET A 35 -14.075 8.832 1.908 1.00 0.00 H new ATOM 0 HB2 MET A 35 -12.354 7.682 2.814 1.00 0.00 H new ATOM 0 HB3 MET A 35 -12.450 6.413 1.609 1.00 0.00 H new ATOM 0 HG2 MET A 35 -11.155 9.104 0.991 1.00 0.00 H new ATOM 0 HG3 MET A 35 -10.250 7.791 1.718 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.691 5.182 -0.568 1.00 0.00 H new ATOM 0 HE2 MET A 35 -10.244 5.606 1.069 1.00 0.00 H new ATOM 0 HE3 MET A 35 -11.398 4.954 -0.118 1.00 0.00 H new ATOM 570 N CYS A 36 -13.267 8.351 -1.242 1.00 0.00 N ATOM 571 CA CYS A 36 -13.015 9.132 -2.488 1.00 0.00 C ATOM 572 C CYS A 36 -14.365 9.620 -3.027 1.00 0.00 C ATOM 573 O CYS A 36 -14.465 10.131 -4.123 1.00 0.00 O ATOM 574 CB CYS A 36 -12.287 8.236 -3.519 1.00 0.00 C ATOM 575 SG CYS A 36 -10.605 8.853 -3.807 1.00 0.00 S ATOM 0 H CYS A 36 -13.305 7.339 -1.361 1.00 0.00 H new ATOM 0 HA CYS A 36 -12.379 9.994 -2.287 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -12.248 7.209 -3.156 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -12.843 8.222 -4.457 1.00 0.00 H new ATOM 580 N SER A 37 -15.401 9.469 -2.244 1.00 0.00 N ATOM 581 CA SER A 37 -16.749 9.927 -2.681 1.00 0.00 C ATOM 582 C SER A 37 -16.880 11.424 -2.394 1.00 0.00 C ATOM 583 O SER A 37 -17.288 12.199 -3.237 1.00 0.00 O ATOM 584 CB SER A 37 -17.823 9.160 -1.904 1.00 0.00 C ATOM 585 OG SER A 37 -19.062 9.263 -2.592 1.00 0.00 O ATOM 0 H SER A 37 -15.369 9.046 -1.316 1.00 0.00 H new ATOM 0 HA SER A 37 -16.877 9.743 -3.748 1.00 0.00 H new ATOM 0 HB2 SER A 37 -17.537 8.113 -1.801 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.918 9.565 -0.896 1.00 0.00 H new ATOM 0 HG SER A 37 -19.752 8.772 -2.099 1.00 0.00 H new ATOM 591 N LYS A 38 -16.530 11.833 -1.205 1.00 0.00 N ATOM 592 CA LYS A 38 -16.623 13.275 -0.846 1.00 0.00 C ATOM 593 C LYS A 38 -15.589 14.064 -1.651 1.00 0.00 C ATOM 594 O LYS A 38 -15.754 15.242 -1.904 1.00 0.00 O ATOM 595 CB LYS A 38 -16.340 13.443 0.651 1.00 0.00 C ATOM 596 CG LYS A 38 -14.983 12.821 0.992 1.00 0.00 C ATOM 597 CD LYS A 38 -14.815 12.754 2.511 1.00 0.00 C ATOM 598 CE LYS A 38 -13.347 12.481 2.852 1.00 0.00 C ATOM 599 NZ LYS A 38 -13.199 12.327 4.327 1.00 0.00 N ATOM 0 H LYS A 38 -16.182 11.226 -0.463 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.622 13.646 -1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.343 14.500 0.915 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -17.127 12.966 1.236 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.912 11.821 0.564 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.180 13.413 0.553 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.136 13.692 2.965 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.447 11.967 2.923 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.007 11.578 2.346 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.722 13.300 2.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.202 12.142 4.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.508 13.200 4.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.784 11.531 4.653 1.00 0.00 H new ATOM 613 N LEU A 39 -14.521 13.424 -2.050 1.00 0.00 N ATOM 614 CA LEU A 39 -13.464 14.135 -2.837 1.00 0.00 C ATOM 615 C LEU A 39 -14.146 14.982 -3.943 1.00 0.00 C ATOM 616 O LEU A 39 -15.115 14.532 -4.519 1.00 0.00 O ATOM 617 CB LEU A 39 -12.522 13.078 -3.506 1.00 0.00 C ATOM 618 CG LEU A 39 -11.021 13.283 -3.117 1.00 0.00 C ATOM 619 CD1 LEU A 39 -10.566 12.187 -2.144 1.00 0.00 C ATOM 620 CD2 LEU A 39 -10.149 13.226 -4.382 1.00 0.00 C ATOM 0 H LEU A 39 -14.333 12.439 -1.866 1.00 0.00 H new ATOM 0 HA LEU A 39 -12.882 14.781 -2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.837 12.077 -3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -12.625 13.138 -4.589 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.915 14.255 -2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.519 12.344 -1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.175 12.226 -1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.680 11.211 -2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.103 13.369 -4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.269 12.255 -4.863 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.455 14.013 -5.071 1.00 0.00 H new ATOM 632 N PRO A 40 -13.622 16.159 -4.252 1.00 0.00 N ATOM 633 CA PRO A 40 -14.207 16.976 -5.326 1.00 0.00 C ATOM 634 C PRO A 40 -14.316 16.120 -6.594 1.00 0.00 C ATOM 635 O PRO A 40 -13.382 15.440 -6.970 1.00 0.00 O ATOM 636 CB PRO A 40 -13.226 18.157 -5.511 1.00 0.00 C ATOM 637 CG PRO A 40 -12.177 18.072 -4.367 1.00 0.00 C ATOM 638 CD PRO A 40 -12.446 16.766 -3.589 1.00 0.00 C ATOM 0 HA PRO A 40 -15.209 17.341 -5.101 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.738 18.102 -6.484 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -13.758 19.108 -5.474 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -11.165 18.075 -4.773 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -12.258 18.936 -3.707 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -11.584 16.100 -3.627 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -12.647 16.968 -2.537 1.00 0.00 H new ATOM 646 N LYS A 41 -15.451 16.141 -7.239 1.00 0.00 N ATOM 647 CA LYS A 41 -15.653 15.325 -8.474 1.00 0.00 C ATOM 648 C LYS A 41 -14.392 15.303 -9.338 1.00 0.00 C ATOM 649 O LYS A 41 -13.996 14.278 -9.857 1.00 0.00 O ATOM 650 CB LYS A 41 -16.791 15.937 -9.277 1.00 0.00 C ATOM 651 CG LYS A 41 -17.141 15.025 -10.448 1.00 0.00 C ATOM 652 CD LYS A 41 -18.414 15.550 -11.147 1.00 0.00 C ATOM 653 CE LYS A 41 -18.344 15.250 -12.645 1.00 0.00 C ATOM 654 NZ LYS A 41 -19.595 15.717 -13.307 1.00 0.00 N ATOM 0 H LYS A 41 -16.259 16.697 -6.959 1.00 0.00 H new ATOM 0 HA LYS A 41 -15.885 14.301 -8.182 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -17.664 16.078 -8.640 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.502 16.922 -9.644 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -16.313 14.990 -11.156 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -17.301 14.007 -10.094 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -19.297 15.081 -10.714 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -18.512 16.624 -10.986 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -17.480 15.747 -13.086 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -18.213 14.180 -12.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -19.546 15.512 -14.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -20.412 15.223 -12.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -19.701 16.742 -13.165 1.00 0.00 H new ATOM 668 N SER A 42 -13.774 16.427 -9.505 1.00 0.00 N ATOM 669 CA SER A 42 -12.547 16.494 -10.348 1.00 0.00 C ATOM 670 C SER A 42 -11.496 15.511 -9.832 1.00 0.00 C ATOM 671 O SER A 42 -11.086 14.591 -10.516 1.00 0.00 O ATOM 672 CB SER A 42 -11.972 17.907 -10.268 1.00 0.00 C ATOM 673 OG SER A 42 -11.054 18.105 -11.334 1.00 0.00 O ATOM 0 H SER A 42 -14.063 17.314 -9.093 1.00 0.00 H new ATOM 0 HA SER A 42 -12.806 16.239 -11.376 1.00 0.00 H new ATOM 0 HB2 SER A 42 -12.775 18.642 -10.324 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.472 18.054 -9.311 1.00 0.00 H new ATOM 0 HG SER A 42 -10.686 19.012 -11.285 1.00 0.00 H new ATOM 679 N LEU A 43 -11.047 15.719 -8.631 1.00 0.00 N ATOM 680 CA LEU A 43 -10.007 14.830 -8.058 1.00 0.00 C ATOM 681 C LEU A 43 -10.635 13.513 -7.597 1.00 0.00 C ATOM 682 O LEU A 43 -9.947 12.621 -7.150 1.00 0.00 O ATOM 683 CB LEU A 43 -9.348 15.543 -6.874 1.00 0.00 C ATOM 684 CG LEU A 43 -8.455 16.696 -7.376 1.00 0.00 C ATOM 685 CD1 LEU A 43 -8.289 17.742 -6.269 1.00 0.00 C ATOM 686 CD2 LEU A 43 -7.068 16.167 -7.770 1.00 0.00 C ATOM 0 H LEU A 43 -11.358 16.472 -8.017 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.257 14.605 -8.816 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.114 15.932 -6.203 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.751 14.834 -6.300 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.931 17.146 -8.247 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.657 18.555 -6.628 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.266 18.137 -5.992 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.825 17.279 -5.398 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.450 16.993 -8.122 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.596 15.704 -6.904 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.173 15.428 -8.564 1.00 0.00 H new ATOM 698 N SER A 44 -11.928 13.362 -7.725 1.00 0.00 N ATOM 699 CA SER A 44 -12.566 12.084 -7.314 1.00 0.00 C ATOM 700 C SER A 44 -12.493 11.164 -8.514 1.00 0.00 C ATOM 701 O SER A 44 -12.503 9.954 -8.402 1.00 0.00 O ATOM 702 CB SER A 44 -14.031 12.315 -6.931 1.00 0.00 C ATOM 703 OG SER A 44 -14.837 12.247 -8.100 1.00 0.00 O ATOM 0 H SER A 44 -12.564 14.068 -8.095 1.00 0.00 H new ATOM 0 HA SER A 44 -12.060 11.658 -6.448 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.353 11.565 -6.209 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.145 13.288 -6.452 1.00 0.00 H new ATOM 0 HG SER A 44 -14.473 12.848 -8.783 1.00 0.00 H new ATOM 709 N GLU A 45 -12.397 11.751 -9.674 1.00 0.00 N ATOM 710 CA GLU A 45 -12.296 10.948 -10.908 1.00 0.00 C ATOM 711 C GLU A 45 -10.838 10.534 -11.085 1.00 0.00 C ATOM 712 O GLU A 45 -10.534 9.479 -11.606 1.00 0.00 O ATOM 713 CB GLU A 45 -12.744 11.786 -12.107 1.00 0.00 C ATOM 714 CG GLU A 45 -14.265 11.953 -12.074 1.00 0.00 C ATOM 715 CD GLU A 45 -14.698 12.914 -13.182 1.00 0.00 C ATOM 716 OE1 GLU A 45 -14.032 12.947 -14.204 1.00 0.00 O ATOM 717 OE2 GLU A 45 -15.688 13.600 -12.991 1.00 0.00 O ATOM 0 H GLU A 45 -12.385 12.761 -9.814 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.934 10.067 -10.840 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.260 12.762 -12.083 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.441 11.303 -13.036 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.750 10.986 -12.207 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.578 12.336 -11.103 1.00 0.00 H new ATOM 724 N GLU A 46 -9.931 11.368 -10.645 1.00 0.00 N ATOM 725 CA GLU A 46 -8.484 11.038 -10.776 1.00 0.00 C ATOM 726 C GLU A 46 -8.057 10.110 -9.631 1.00 0.00 C ATOM 727 O GLU A 46 -7.150 9.316 -9.779 1.00 0.00 O ATOM 728 CB GLU A 46 -7.659 12.331 -10.724 1.00 0.00 C ATOM 729 CG GLU A 46 -7.721 13.039 -12.081 1.00 0.00 C ATOM 730 CD GLU A 46 -9.176 13.357 -12.430 1.00 0.00 C ATOM 731 OE1 GLU A 46 -9.887 12.443 -12.811 1.00 0.00 O ATOM 732 OE2 GLU A 46 -9.553 14.512 -12.312 1.00 0.00 O ATOM 0 H GLU A 46 -10.132 12.264 -10.200 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.314 10.535 -11.728 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.043 12.987 -9.943 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.624 12.103 -10.469 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.135 13.958 -12.050 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.282 12.407 -12.852 1.00 0.00 H new ATOM 739 N CYS A 47 -8.699 10.195 -8.492 1.00 0.00 N ATOM 740 CA CYS A 47 -8.306 9.303 -7.362 1.00 0.00 C ATOM 741 C CYS A 47 -8.866 7.901 -7.614 1.00 0.00 C ATOM 742 O CYS A 47 -8.294 6.906 -7.209 1.00 0.00 O ATOM 743 CB CYS A 47 -8.836 9.862 -6.033 1.00 0.00 C ATOM 744 SG CYS A 47 -10.562 9.373 -5.761 1.00 0.00 S ATOM 0 H CYS A 47 -9.469 10.836 -8.298 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.219 9.252 -7.299 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.218 9.501 -5.211 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.759 10.949 -6.036 1.00 0.00 H new ATOM 749 N GLN A 48 -9.967 7.815 -8.309 1.00 0.00 N ATOM 750 CA GLN A 48 -10.556 6.492 -8.618 1.00 0.00 C ATOM 751 C GLN A 48 -9.864 5.980 -9.868 1.00 0.00 C ATOM 752 O GLN A 48 -9.900 4.808 -10.189 1.00 0.00 O ATOM 753 CB GLN A 48 -12.058 6.648 -8.879 1.00 0.00 C ATOM 754 CG GLN A 48 -12.809 6.748 -7.547 1.00 0.00 C ATOM 755 CD GLN A 48 -12.925 5.359 -6.915 1.00 0.00 C ATOM 756 OE1 GLN A 48 -12.248 4.436 -7.319 1.00 0.00 O ATOM 757 NE2 GLN A 48 -13.764 5.171 -5.932 1.00 0.00 N ATOM 0 H GLN A 48 -10.484 8.614 -8.677 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.423 5.797 -7.789 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -12.242 7.540 -9.478 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -12.427 5.797 -9.452 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -12.283 7.423 -6.872 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -13.801 7.169 -7.709 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -14.333 5.946 -5.592 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -13.850 4.249 -5.504 1.00 0.00 H new ATOM 766 N GLU A 49 -9.220 6.868 -10.573 1.00 0.00 N ATOM 767 CA GLU A 49 -8.507 6.460 -11.799 1.00 0.00 C ATOM 768 C GLU A 49 -7.307 5.601 -11.403 1.00 0.00 C ATOM 769 O GLU A 49 -7.116 4.507 -11.902 1.00 0.00 O ATOM 770 CB GLU A 49 -8.028 7.703 -12.552 1.00 0.00 C ATOM 771 CG GLU A 49 -7.304 7.275 -13.828 1.00 0.00 C ATOM 772 CD GLU A 49 -6.955 8.511 -14.659 1.00 0.00 C ATOM 773 OE1 GLU A 49 -6.346 9.416 -14.113 1.00 0.00 O ATOM 774 OE2 GLU A 49 -7.304 8.532 -15.829 1.00 0.00 O ATOM 0 H GLU A 49 -9.161 7.861 -10.346 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.173 5.890 -12.446 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.876 8.342 -12.799 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.360 8.289 -11.921 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.397 6.725 -13.577 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.935 6.601 -14.407 1.00 0.00 H new ATOM 781 N VAL A 50 -6.498 6.085 -10.498 1.00 0.00 N ATOM 782 CA VAL A 50 -5.322 5.287 -10.069 1.00 0.00 C ATOM 783 C VAL A 50 -5.804 4.004 -9.398 1.00 0.00 C ATOM 784 O VAL A 50 -5.259 2.952 -9.622 1.00 0.00 O ATOM 785 CB VAL A 50 -4.467 6.076 -9.085 1.00 0.00 C ATOM 786 CG1 VAL A 50 -3.186 5.285 -8.811 1.00 0.00 C ATOM 787 CG2 VAL A 50 -4.116 7.438 -9.687 1.00 0.00 C ATOM 0 H VAL A 50 -6.603 6.992 -10.043 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.720 5.051 -10.946 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.013 6.232 -8.155 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.562 5.836 -8.108 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.442 4.314 -8.386 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.641 5.140 -9.744 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.504 8.001 -8.982 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.561 7.294 -10.614 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.032 7.991 -9.895 1.00 0.00 H new ATOM 797 N VAL A 51 -6.834 4.084 -8.585 1.00 0.00 N ATOM 798 CA VAL A 51 -7.367 2.852 -7.911 1.00 0.00 C ATOM 799 C VAL A 51 -7.431 1.723 -8.940 1.00 0.00 C ATOM 800 O VAL A 51 -6.856 0.668 -8.754 1.00 0.00 O ATOM 801 CB VAL A 51 -8.771 3.169 -7.366 1.00 0.00 C ATOM 802 CG1 VAL A 51 -9.521 1.883 -7.004 1.00 0.00 C ATOM 803 CG2 VAL A 51 -8.641 4.043 -6.115 1.00 0.00 C ATOM 0 H VAL A 51 -7.328 4.947 -8.359 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.724 2.543 -7.087 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.332 3.694 -8.139 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.510 2.134 -6.621 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.623 1.259 -7.892 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.964 1.340 -6.241 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.633 4.270 -5.725 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.067 3.510 -5.357 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.130 4.971 -6.371 1.00 0.00 H new ATOM 813 N ASP A 52 -8.093 1.944 -10.042 1.00 0.00 N ATOM 814 CA ASP A 52 -8.147 0.889 -11.088 1.00 0.00 C ATOM 815 C ASP A 52 -6.710 0.464 -11.398 1.00 0.00 C ATOM 816 O ASP A 52 -6.427 -0.694 -11.632 1.00 0.00 O ATOM 817 CB ASP A 52 -8.804 1.449 -12.353 1.00 0.00 C ATOM 818 CG ASP A 52 -10.256 1.824 -12.050 1.00 0.00 C ATOM 819 OD1 ASP A 52 -10.863 1.150 -11.234 1.00 0.00 O ATOM 820 OD2 ASP A 52 -10.736 2.777 -12.639 1.00 0.00 O ATOM 0 H ASP A 52 -8.595 2.804 -10.261 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.731 0.037 -10.741 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.257 2.324 -12.703 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.767 0.709 -13.153 1.00 0.00 H new ATOM 825 N THR A 53 -5.794 1.403 -11.372 1.00 0.00 N ATOM 826 CA THR A 53 -4.367 1.065 -11.635 1.00 0.00 C ATOM 827 C THR A 53 -3.736 0.511 -10.354 1.00 0.00 C ATOM 828 O THR A 53 -2.782 -0.240 -10.395 1.00 0.00 O ATOM 829 CB THR A 53 -3.622 2.300 -12.153 1.00 0.00 C ATOM 830 OG1 THR A 53 -4.224 2.726 -13.367 1.00 0.00 O ATOM 831 CG2 THR A 53 -2.153 1.953 -12.417 1.00 0.00 C ATOM 0 H THR A 53 -5.977 2.388 -11.180 1.00 0.00 H new ATOM 0 HA THR A 53 -4.299 0.298 -12.406 1.00 0.00 H new ATOM 0 HB THR A 53 -3.675 3.093 -11.407 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.755 3.517 -13.705 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.631 2.836 -12.785 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.687 1.615 -11.491 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.095 1.160 -13.163 1.00 0.00 H new ATOM 839 N TYR A 54 -4.279 0.865 -9.216 1.00 0.00 N ATOM 840 CA TYR A 54 -3.747 0.360 -7.913 1.00 0.00 C ATOM 841 C TYR A 54 -4.918 -0.162 -7.089 1.00 0.00 C ATOM 842 O TYR A 54 -5.354 0.476 -6.151 1.00 0.00 O ATOM 843 CB TYR A 54 -3.087 1.489 -7.128 1.00 0.00 C ATOM 844 CG TYR A 54 -1.798 1.892 -7.790 1.00 0.00 C ATOM 845 CD1 TYR A 54 -1.842 2.529 -9.019 1.00 0.00 C ATOM 846 CD2 TYR A 54 -0.571 1.656 -7.166 1.00 0.00 C ATOM 847 CE1 TYR A 54 -0.670 2.943 -9.645 1.00 0.00 C ATOM 848 CE2 TYR A 54 0.615 2.072 -7.782 1.00 0.00 C ATOM 849 CZ TYR A 54 0.567 2.719 -9.027 1.00 0.00 C ATOM 850 OH TYR A 54 1.733 3.132 -9.639 1.00 0.00 O ATOM 0 H TYR A 54 -5.080 1.491 -9.134 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.012 -0.421 -8.108 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -3.759 2.345 -7.072 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -2.894 1.167 -6.105 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.795 2.706 -9.496 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.537 1.154 -6.210 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.714 3.436 -10.605 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.565 1.896 -7.300 1.00 0.00 H new ATOM 0 HH TYR A 54 2.499 2.899 -9.074 1.00 0.00 H new ATOM 860 N GLY A 55 -5.445 -1.304 -7.433 1.00 0.00 N ATOM 861 CA GLY A 55 -6.602 -1.859 -6.668 1.00 0.00 C ATOM 862 C GLY A 55 -6.464 -3.372 -6.523 1.00 0.00 C ATOM 863 O GLY A 55 -6.330 -3.883 -5.442 1.00 0.00 O ATOM 0 H GLY A 55 -5.125 -1.880 -8.212 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.651 -1.395 -5.683 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.534 -1.619 -7.180 1.00 0.00 H new ATOM 867 N SER A 56 -6.514 -4.102 -7.593 1.00 0.00 N ATOM 868 CA SER A 56 -6.398 -5.583 -7.467 1.00 0.00 C ATOM 869 C SER A 56 -4.932 -5.976 -7.274 1.00 0.00 C ATOM 870 O SER A 56 -4.627 -7.058 -6.815 1.00 0.00 O ATOM 871 CB SER A 56 -6.941 -6.241 -8.734 1.00 0.00 C ATOM 872 OG SER A 56 -5.878 -6.444 -9.657 1.00 0.00 O ATOM 0 H SER A 56 -6.629 -3.748 -8.543 1.00 0.00 H new ATOM 0 HA SER A 56 -6.973 -5.918 -6.604 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.411 -7.194 -8.489 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.710 -5.612 -9.182 1.00 0.00 H new ATOM 0 HG SER A 56 -6.226 -6.868 -10.469 1.00 0.00 H new ATOM 878 N SER A 57 -4.021 -5.104 -7.610 1.00 0.00 N ATOM 879 CA SER A 57 -2.572 -5.427 -7.436 1.00 0.00 C ATOM 880 C SER A 57 -2.133 -4.958 -6.058 1.00 0.00 C ATOM 881 O SER A 57 -1.977 -5.752 -5.159 1.00 0.00 O ATOM 882 CB SER A 57 -1.730 -4.717 -8.501 1.00 0.00 C ATOM 883 OG SER A 57 -1.973 -5.316 -9.768 1.00 0.00 O ATOM 0 H SER A 57 -4.215 -4.181 -7.998 1.00 0.00 H new ATOM 0 HA SER A 57 -2.429 -6.503 -7.539 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.981 -3.657 -8.533 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.672 -4.786 -8.250 1.00 0.00 H new ATOM 0 HG SER A 57 -1.437 -4.863 -10.452 1.00 0.00 H new ATOM 889 N ILE A 58 -1.950 -3.667 -5.894 1.00 0.00 N ATOM 890 CA ILE A 58 -1.530 -3.081 -4.576 1.00 0.00 C ATOM 891 C ILE A 58 -1.957 -3.984 -3.421 1.00 0.00 C ATOM 892 O ILE A 58 -1.185 -4.290 -2.535 1.00 0.00 O ATOM 893 CB ILE A 58 -2.199 -1.711 -4.441 1.00 0.00 C ATOM 894 CG1 ILE A 58 -1.737 -1.008 -3.155 1.00 0.00 C ATOM 895 CG2 ILE A 58 -3.721 -1.867 -4.415 1.00 0.00 C ATOM 896 CD1 ILE A 58 -2.623 0.224 -2.904 1.00 0.00 C ATOM 0 H ILE A 58 -2.077 -2.979 -6.636 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.445 -2.987 -4.540 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.911 -1.105 -5.300 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.799 -1.693 -2.310 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.693 -0.707 -3.246 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.186 -0.886 -4.319 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.054 -2.337 -5.340 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.009 -2.489 -3.568 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.299 0.726 -1.992 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.538 0.911 -3.746 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.661 -0.090 -2.795 1.00 0.00 H new ATOM 908 N LEU A 59 -3.180 -4.421 -3.434 1.00 0.00 N ATOM 909 CA LEU A 59 -3.651 -5.318 -2.335 1.00 0.00 C ATOM 910 C LEU A 59 -3.128 -6.744 -2.576 1.00 0.00 C ATOM 911 O LEU A 59 -2.631 -7.392 -1.678 1.00 0.00 O ATOM 912 CB LEU A 59 -5.195 -5.387 -2.260 1.00 0.00 C ATOM 913 CG LEU A 59 -5.833 -4.037 -2.580 1.00 0.00 C ATOM 914 CD1 LEU A 59 -7.323 -4.230 -2.865 1.00 0.00 C ATOM 915 CD2 LEU A 59 -5.647 -3.066 -1.406 1.00 0.00 C ATOM 0 H LEU A 59 -3.874 -4.202 -4.149 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.271 -4.906 -1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.561 -6.138 -2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.498 -5.706 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.347 -3.615 -3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.778 -3.266 -3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.447 -4.900 -3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.808 -4.662 -1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.107 -2.108 -1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.119 -3.479 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.583 -2.920 -1.219 1.00 0.00 H new ATOM 927 N SER A 60 -3.280 -7.247 -3.779 1.00 0.00 N ATOM 928 CA SER A 60 -2.841 -8.647 -4.080 1.00 0.00 C ATOM 929 C SER A 60 -1.334 -8.717 -4.353 1.00 0.00 C ATOM 930 O SER A 60 -0.807 -9.764 -4.672 1.00 0.00 O ATOM 931 CB SER A 60 -3.599 -9.156 -5.308 1.00 0.00 C ATOM 932 OG SER A 60 -3.562 -10.578 -5.325 1.00 0.00 O ATOM 0 H SER A 60 -3.690 -6.746 -4.567 1.00 0.00 H new ATOM 0 HA SER A 60 -3.058 -9.268 -3.211 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.632 -8.808 -5.283 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.150 -8.758 -6.218 1.00 0.00 H new ATOM 0 HG SER A 60 -2.675 -10.886 -5.044 1.00 0.00 H new ATOM 938 N ILE A 61 -0.643 -7.616 -4.263 1.00 0.00 N ATOM 939 CA ILE A 61 0.824 -7.614 -4.555 1.00 0.00 C ATOM 940 C ILE A 61 1.629 -7.801 -3.252 1.00 0.00 C ATOM 941 O ILE A 61 2.319 -8.786 -3.107 1.00 0.00 O ATOM 942 CB ILE A 61 1.143 -6.295 -5.303 1.00 0.00 C ATOM 943 CG1 ILE A 61 2.255 -6.497 -6.341 1.00 0.00 C ATOM 944 CG2 ILE A 61 1.545 -5.175 -4.360 1.00 0.00 C ATOM 945 CD1 ILE A 61 3.598 -6.739 -5.649 1.00 0.00 C ATOM 0 H ILE A 61 -1.030 -6.710 -3.998 1.00 0.00 H new ATOM 0 HA ILE A 61 1.114 -8.449 -5.193 1.00 0.00 H new ATOM 0 HB ILE A 61 0.220 -6.006 -5.806 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.012 -7.344 -6.982 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.324 -5.620 -6.984 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.758 -4.274 -4.935 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.731 -4.977 -3.663 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.435 -5.469 -3.804 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.374 -6.880 -6.401 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.847 -5.879 -5.027 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.531 -7.630 -5.025 1.00 0.00 H new ATOM 957 N LEU A 62 1.554 -6.887 -2.313 1.00 0.00 N ATOM 958 CA LEU A 62 2.323 -7.040 -1.041 1.00 0.00 C ATOM 959 C LEU A 62 2.074 -8.421 -0.418 1.00 0.00 C ATOM 960 O LEU A 62 2.591 -8.730 0.638 1.00 0.00 O ATOM 961 CB LEU A 62 1.899 -5.942 -0.045 1.00 0.00 C ATOM 962 CG LEU A 62 2.664 -4.618 -0.337 1.00 0.00 C ATOM 963 CD1 LEU A 62 1.966 -3.769 -1.420 1.00 0.00 C ATOM 964 CD2 LEU A 62 2.795 -3.811 0.965 1.00 0.00 C ATOM 0 H LEU A 62 0.990 -6.039 -2.375 1.00 0.00 H new ATOM 0 HA LEU A 62 3.386 -6.945 -1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.825 -5.772 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.102 -6.269 0.975 1.00 0.00 H new ATOM 0 HG LEU A 62 3.651 -4.876 -0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.536 -2.856 -1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.908 -4.338 -2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.960 -3.513 -1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.330 -2.883 0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.802 -3.581 1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.345 -4.396 1.702 1.00 0.00 H new ATOM 976 N LEU A 63 1.277 -9.248 -1.039 1.00 0.00 N ATOM 977 CA LEU A 63 0.990 -10.586 -0.457 1.00 0.00 C ATOM 978 C LEU A 63 1.952 -11.652 -1.007 1.00 0.00 C ATOM 979 O LEU A 63 2.570 -12.378 -0.253 1.00 0.00 O ATOM 980 CB LEU A 63 -0.444 -10.999 -0.822 1.00 0.00 C ATOM 981 CG LEU A 63 -1.392 -9.783 -0.884 1.00 0.00 C ATOM 982 CD1 LEU A 63 -2.839 -10.289 -0.861 1.00 0.00 C ATOM 983 CD2 LEU A 63 -1.166 -8.821 0.304 1.00 0.00 C ATOM 0 H LEU A 63 0.812 -9.052 -1.926 1.00 0.00 H new ATOM 0 HA LEU A 63 1.116 -10.518 0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.442 -11.508 -1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.815 -11.712 -0.086 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.188 -9.231 -1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.522 -9.441 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.011 -10.938 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.014 -10.849 0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.852 -7.978 0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.347 -9.350 1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.139 -8.456 0.286 1.00 0.00 H new ATOM 995 N GLU A 64 2.034 -11.794 -2.313 1.00 0.00 N ATOM 996 CA GLU A 64 2.903 -12.869 -2.906 1.00 0.00 C ATOM 997 C GLU A 64 3.818 -12.331 -4.005 1.00 0.00 C ATOM 998 O GLU A 64 5.019 -12.514 -3.962 1.00 0.00 O ATOM 999 CB GLU A 64 1.994 -13.921 -3.531 1.00 0.00 C ATOM 1000 CG GLU A 64 1.148 -14.582 -2.442 1.00 0.00 C ATOM 1001 CD GLU A 64 0.197 -15.597 -3.081 1.00 0.00 C ATOM 1002 OE1 GLU A 64 -0.174 -15.392 -4.225 1.00 0.00 O ATOM 1003 OE2 GLU A 64 -0.142 -16.561 -2.415 1.00 0.00 O ATOM 0 H GLU A 64 1.539 -11.215 -2.992 1.00 0.00 H new ATOM 0 HA GLU A 64 3.526 -13.277 -2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.348 -13.460 -4.278 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.592 -14.672 -4.047 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.793 -15.078 -1.717 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.580 -13.827 -1.899 1.00 0.00 H new ATOM 1010 N GLU A 65 3.261 -11.710 -5.012 1.00 0.00 N ATOM 1011 CA GLU A 65 4.100 -11.202 -6.139 1.00 0.00 C ATOM 1012 C GLU A 65 5.341 -10.503 -5.601 1.00 0.00 C ATOM 1013 O GLU A 65 6.296 -10.262 -6.313 1.00 0.00 O ATOM 1014 CB GLU A 65 3.282 -10.233 -6.991 1.00 0.00 C ATOM 1015 CG GLU A 65 1.922 -10.858 -7.309 1.00 0.00 C ATOM 1016 CD GLU A 65 1.216 -10.028 -8.381 1.00 0.00 C ATOM 1017 OE1 GLU A 65 1.890 -9.576 -9.292 1.00 0.00 O ATOM 1018 OE2 GLU A 65 0.012 -9.860 -8.275 1.00 0.00 O ATOM 0 H GLU A 65 2.261 -11.532 -5.103 1.00 0.00 H new ATOM 0 HA GLU A 65 4.415 -12.045 -6.754 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.146 -9.291 -6.460 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.814 -10.005 -7.914 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.053 -11.883 -7.656 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.311 -10.902 -6.408 1.00 0.00 H new ATOM 1025 N VAL A 66 5.329 -10.183 -4.351 1.00 0.00 N ATOM 1026 CA VAL A 66 6.500 -9.499 -3.732 1.00 0.00 C ATOM 1027 C VAL A 66 6.601 -9.906 -2.253 1.00 0.00 C ATOM 1028 O VAL A 66 5.643 -10.368 -1.665 1.00 0.00 O ATOM 1029 CB VAL A 66 6.278 -7.987 -3.861 1.00 0.00 C ATOM 1030 CG1 VAL A 66 5.297 -7.517 -2.793 1.00 0.00 C ATOM 1031 CG2 VAL A 66 7.610 -7.233 -3.725 1.00 0.00 C ATOM 0 H VAL A 66 4.552 -10.365 -3.716 1.00 0.00 H new ATOM 0 HA VAL A 66 7.428 -9.781 -4.229 1.00 0.00 H new ATOM 0 HB VAL A 66 5.863 -7.776 -4.846 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.142 -6.442 -2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.345 -8.033 -2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.701 -7.739 -1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.433 -6.162 -3.819 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.050 -7.444 -2.750 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.294 -7.558 -4.509 1.00 0.00 H new ATOM 1041 N SER A 67 7.745 -9.721 -1.644 1.00 0.00 N ATOM 1042 CA SER A 67 7.906 -10.074 -0.197 1.00 0.00 C ATOM 1043 C SER A 67 7.841 -8.769 0.617 1.00 0.00 C ATOM 1044 O SER A 67 8.265 -7.745 0.124 1.00 0.00 O ATOM 1045 CB SER A 67 9.269 -10.742 0.010 1.00 0.00 C ATOM 1046 OG SER A 67 9.491 -11.686 -1.030 1.00 0.00 O ATOM 0 H SER A 67 8.580 -9.339 -2.088 1.00 0.00 H new ATOM 0 HA SER A 67 7.122 -10.760 0.123 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.059 -9.991 0.010 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.301 -11.238 0.980 1.00 0.00 H new ATOM 0 HG SER A 67 10.363 -12.115 -0.902 1.00 0.00 H new ATOM 1052 N PRO A 68 7.322 -8.808 1.830 1.00 0.00 N ATOM 1053 CA PRO A 68 7.227 -7.586 2.645 1.00 0.00 C ATOM 1054 C PRO A 68 8.603 -6.912 2.754 1.00 0.00 C ATOM 1055 O PRO A 68 8.707 -5.740 3.067 1.00 0.00 O ATOM 1056 CB PRO A 68 6.716 -8.066 4.023 1.00 0.00 C ATOM 1057 CG PRO A 68 6.512 -9.606 3.939 1.00 0.00 C ATOM 1058 CD PRO A 68 6.808 -10.031 2.487 1.00 0.00 C ATOM 0 HA PRO A 68 6.559 -6.842 2.212 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.433 -7.817 4.805 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.780 -7.569 4.279 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.177 -10.120 4.633 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.493 -9.874 4.217 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.542 -10.836 2.453 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.909 -10.398 1.992 1.00 0.00 H new ATOM 1066 N GLU A 69 9.661 -7.638 2.505 1.00 0.00 N ATOM 1067 CA GLU A 69 11.020 -7.027 2.607 1.00 0.00 C ATOM 1068 C GLU A 69 11.362 -6.302 1.304 1.00 0.00 C ATOM 1069 O GLU A 69 11.764 -5.158 1.317 1.00 0.00 O ATOM 1070 CB GLU A 69 12.059 -8.120 2.895 1.00 0.00 C ATOM 1071 CG GLU A 69 13.450 -7.490 3.056 1.00 0.00 C ATOM 1072 CD GLU A 69 14.056 -7.206 1.678 1.00 0.00 C ATOM 1073 OE1 GLU A 69 14.273 -8.154 0.942 1.00 0.00 O ATOM 1074 OE2 GLU A 69 14.293 -6.046 1.384 1.00 0.00 O ATOM 0 H GLU A 69 9.644 -8.622 2.237 1.00 0.00 H new ATOM 0 HA GLU A 69 11.031 -6.305 3.424 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.788 -8.661 3.802 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.071 -8.846 2.082 1.00 0.00 H new ATOM 0 HG2 GLU A 69 13.376 -6.565 3.628 1.00 0.00 H new ATOM 0 HG3 GLU A 69 14.100 -8.161 3.618 1.00 0.00 H new ATOM 1081 N LEU A 70 11.196 -6.939 0.177 1.00 0.00 N ATOM 1082 CA LEU A 70 11.503 -6.245 -1.105 1.00 0.00 C ATOM 1083 C LEU A 70 10.582 -5.032 -1.198 1.00 0.00 C ATOM 1084 O LEU A 70 10.774 -4.145 -1.999 1.00 0.00 O ATOM 1085 CB LEU A 70 11.255 -7.216 -2.277 1.00 0.00 C ATOM 1086 CG LEU A 70 11.054 -6.472 -3.618 1.00 0.00 C ATOM 1087 CD1 LEU A 70 12.324 -5.692 -3.988 1.00 0.00 C ATOM 1088 CD2 LEU A 70 10.757 -7.499 -4.723 1.00 0.00 C ATOM 0 H LEU A 70 10.865 -7.900 0.088 1.00 0.00 H new ATOM 0 HA LEU A 70 12.543 -5.923 -1.147 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.099 -7.900 -2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.375 -7.823 -2.064 1.00 0.00 H new ATOM 0 HG LEU A 70 10.223 -5.774 -3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.169 -5.173 -4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.545 -4.965 -3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.160 -6.384 -4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.614 -6.982 -5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.594 -8.192 -4.810 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.852 -8.052 -4.472 1.00 0.00 H new ATOM 1100 N VAL A 71 9.571 -4.996 -0.387 1.00 0.00 N ATOM 1101 CA VAL A 71 8.624 -3.855 -0.428 1.00 0.00 C ATOM 1102 C VAL A 71 9.267 -2.629 0.214 1.00 0.00 C ATOM 1103 O VAL A 71 9.529 -1.645 -0.445 1.00 0.00 O ATOM 1104 CB VAL A 71 7.353 -4.261 0.319 1.00 0.00 C ATOM 1105 CG1 VAL A 71 6.455 -3.040 0.538 1.00 0.00 C ATOM 1106 CG2 VAL A 71 6.612 -5.321 -0.511 1.00 0.00 C ATOM 0 H VAL A 71 9.357 -5.712 0.308 1.00 0.00 H new ATOM 0 HA VAL A 71 8.373 -3.601 -1.458 1.00 0.00 H new ATOM 0 HB VAL A 71 7.614 -4.672 1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.553 -3.342 1.071 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.991 -2.295 1.126 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.180 -2.613 -0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.703 -5.620 0.010 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.352 -4.905 -1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.255 -6.191 -0.648 1.00 0.00 H new ATOM 1116 N CYS A 72 9.536 -2.672 1.487 1.00 0.00 N ATOM 1117 CA CYS A 72 10.175 -1.479 2.127 1.00 0.00 C ATOM 1118 C CYS A 72 11.413 -1.096 1.318 1.00 0.00 C ATOM 1119 O CYS A 72 11.940 -0.007 1.437 1.00 0.00 O ATOM 1120 CB CYS A 72 10.569 -1.772 3.576 1.00 0.00 C ATOM 1121 SG CYS A 72 10.971 -0.218 4.396 1.00 0.00 S ATOM 0 H CYS A 72 9.348 -3.461 2.106 1.00 0.00 H new ATOM 0 HA CYS A 72 9.460 -0.656 2.138 1.00 0.00 H new ATOM 0 HB2 CYS A 72 9.751 -2.272 4.095 1.00 0.00 H new ATOM 0 HB3 CYS A 72 11.425 -2.446 3.605 1.00 0.00 H new ATOM 1126 N SER A 73 11.857 -1.979 0.466 1.00 0.00 N ATOM 1127 CA SER A 73 13.035 -1.678 -0.396 1.00 0.00 C ATOM 1128 C SER A 73 12.510 -1.061 -1.688 1.00 0.00 C ATOM 1129 O SER A 73 12.836 0.056 -2.041 1.00 0.00 O ATOM 1130 CB SER A 73 13.780 -2.974 -0.715 1.00 0.00 C ATOM 1131 OG SER A 73 15.036 -2.662 -1.301 1.00 0.00 O ATOM 0 H SER A 73 11.450 -2.904 0.329 1.00 0.00 H new ATOM 0 HA SER A 73 13.719 -0.996 0.109 1.00 0.00 H new ATOM 0 HB2 SER A 73 13.925 -3.557 0.195 1.00 0.00 H new ATOM 0 HB3 SER A 73 13.190 -3.588 -1.396 1.00 0.00 H new ATOM 0 HG SER A 73 15.517 -3.491 -1.505 1.00 0.00 H new ATOM 1137 N MET A 74 11.673 -1.782 -2.381 1.00 0.00 N ATOM 1138 CA MET A 74 11.085 -1.251 -3.642 1.00 0.00 C ATOM 1139 C MET A 74 10.485 0.125 -3.348 1.00 0.00 C ATOM 1140 O MET A 74 10.672 1.067 -4.093 1.00 0.00 O ATOM 1141 CB MET A 74 9.987 -2.206 -4.125 1.00 0.00 C ATOM 1142 CG MET A 74 9.528 -1.833 -5.536 1.00 0.00 C ATOM 1143 SD MET A 74 8.694 -3.251 -6.303 1.00 0.00 S ATOM 1144 CE MET A 74 7.669 -3.745 -4.892 1.00 0.00 C ATOM 0 H MET A 74 11.369 -2.722 -2.126 1.00 0.00 H new ATOM 0 HA MET A 74 11.848 -1.166 -4.416 1.00 0.00 H new ATOM 0 HB2 MET A 74 10.360 -3.230 -4.117 1.00 0.00 H new ATOM 0 HB3 MET A 74 9.140 -2.170 -3.440 1.00 0.00 H new ATOM 0 HG2 MET A 74 8.851 -0.979 -5.495 1.00 0.00 H new ATOM 0 HG3 MET A 74 10.384 -1.532 -6.140 1.00 0.00 H new ATOM 0 HE1 MET A 74 6.858 -4.385 -5.238 1.00 0.00 H new ATOM 0 HE2 MET A 74 8.279 -4.290 -4.172 1.00 0.00 H new ATOM 0 HE3 MET A 74 7.253 -2.857 -4.416 1.00 0.00 H new ATOM 1154 N LEU A 75 9.777 0.254 -2.254 1.00 0.00 N ATOM 1155 CA LEU A 75 9.186 1.578 -1.908 1.00 0.00 C ATOM 1156 C LEU A 75 10.322 2.588 -1.748 1.00 0.00 C ATOM 1157 O LEU A 75 10.156 3.768 -1.983 1.00 0.00 O ATOM 1158 CB LEU A 75 8.416 1.478 -0.585 1.00 0.00 C ATOM 1159 CG LEU A 75 7.251 0.486 -0.711 1.00 0.00 C ATOM 1160 CD1 LEU A 75 6.640 0.256 0.677 1.00 0.00 C ATOM 1161 CD2 LEU A 75 6.176 1.045 -1.660 1.00 0.00 C ATOM 0 H LEU A 75 9.585 -0.497 -1.591 1.00 0.00 H new ATOM 0 HA LEU A 75 8.502 1.892 -2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.089 1.158 0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.036 2.460 -0.304 1.00 0.00 H new ATOM 0 HG LEU A 75 7.621 -0.455 -1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.811 -0.448 0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.399 -0.151 1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.275 1.203 1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.356 0.332 -1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.799 1.989 -1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.611 1.210 -2.646 1.00 0.00 H new ATOM 1173 N HIS A 76 11.484 2.123 -1.366 1.00 0.00 N ATOM 1174 CA HIS A 76 12.648 3.039 -1.206 1.00 0.00 C ATOM 1175 C HIS A 76 12.212 4.317 -0.471 1.00 0.00 C ATOM 1176 O HIS A 76 12.426 5.420 -0.937 1.00 0.00 O ATOM 1177 CB HIS A 76 13.198 3.372 -2.608 1.00 0.00 C ATOM 1178 CG HIS A 76 14.241 2.359 -3.010 1.00 0.00 C ATOM 1179 ND1 HIS A 76 14.222 1.334 -3.922 1.00 0.00 N flip ATOM 1180 CD2 HIS A 76 15.505 2.333 -2.440 1.00 0.00 C flip ATOM 1181 CE1 HIS A 76 15.451 0.681 -3.921 1.00 0.00 C flip ATOM 1182 NE2 HIS A 76 16.186 1.324 -3.010 1.00 0.00 N flip ATOM 0 H HIS A 76 11.675 1.143 -1.158 1.00 0.00 H new ATOM 0 HA HIS A 76 13.429 2.563 -0.613 1.00 0.00 H new ATOM 0 HB2 HIS A 76 12.385 3.376 -3.334 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.632 4.372 -2.609 1.00 0.00 H new ATOM 0 HD2 HIS A 76 15.875 3.002 -1.677 1.00 0.00 H new ATOM 0 HE1 HIS A 76 15.747 -0.163 -4.526 1.00 0.00 H new ATOM 0 HE2 HIS A 76 17.148 1.079 -2.775 1.00 0.00 H new ATOM 1190 N LEU A 77 11.614 4.179 0.686 1.00 0.00 N ATOM 1191 CA LEU A 77 11.183 5.386 1.454 1.00 0.00 C ATOM 1192 C LEU A 77 12.335 5.832 2.357 1.00 0.00 C ATOM 1193 O LEU A 77 12.443 6.986 2.721 1.00 0.00 O ATOM 1194 CB LEU A 77 9.933 5.051 2.293 1.00 0.00 C ATOM 1195 CG LEU A 77 10.302 4.212 3.552 1.00 0.00 C ATOM 1196 CD1 LEU A 77 10.419 5.113 4.793 1.00 0.00 C ATOM 1197 CD2 LEU A 77 9.209 3.162 3.817 1.00 0.00 C ATOM 0 H LEU A 77 11.406 3.285 1.131 1.00 0.00 H new ATOM 0 HA LEU A 77 10.928 6.195 0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.441 5.974 2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.220 4.498 1.682 1.00 0.00 H new ATOM 0 HG LEU A 77 11.260 3.726 3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.677 4.506 5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.196 5.860 4.628 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.467 5.613 4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.472 2.578 4.699 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.256 3.663 3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.124 2.500 2.955 1.00 0.00 H new ATOM 1209 N CYS A 78 13.203 4.922 2.715 1.00 0.00 N ATOM 1210 CA CYS A 78 14.355 5.289 3.587 1.00 0.00 C ATOM 1211 C CYS A 78 15.099 6.471 2.965 1.00 0.00 C ATOM 1212 O CYS A 78 15.893 7.129 3.609 1.00 0.00 O ATOM 1213 CB CYS A 78 15.308 4.098 3.705 1.00 0.00 C ATOM 1214 SG CYS A 78 14.494 2.757 4.607 1.00 0.00 S ATOM 0 H CYS A 78 13.163 3.940 2.440 1.00 0.00 H new ATOM 0 HA CYS A 78 13.990 5.561 4.577 1.00 0.00 H new ATOM 0 HB2 CYS A 78 15.603 3.756 2.713 1.00 0.00 H new ATOM 0 HB3 CYS A 78 16.219 4.398 4.223 1.00 0.00 H new ATOM 1219 N SER A 79 14.852 6.739 1.712 1.00 0.00 N ATOM 1220 CA SER A 79 15.545 7.871 1.038 1.00 0.00 C ATOM 1221 C SER A 79 15.325 9.161 1.830 1.00 0.00 C ATOM 1222 O SER A 79 14.258 9.741 1.809 1.00 0.00 O ATOM 1223 CB SER A 79 14.986 8.040 -0.374 1.00 0.00 C ATOM 1224 OG SER A 79 15.405 6.946 -1.179 1.00 0.00 O ATOM 0 H SER A 79 14.198 6.221 1.125 1.00 0.00 H new ATOM 0 HA SER A 79 16.613 7.659 0.987 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.897 8.088 -0.343 1.00 0.00 H new ATOM 0 HB3 SER A 79 15.334 8.978 -0.806 1.00 0.00 H new ATOM 0 HG SER A 79 15.047 7.050 -2.085 1.00 0.00 H new ATOM 1230 N GLY A 80 16.335 9.621 2.518 1.00 0.00 N ATOM 1231 CA GLY A 80 16.200 10.882 3.305 1.00 0.00 C ATOM 1232 C GLY A 80 16.531 12.061 2.400 1.00 0.00 C ATOM 1233 O GLY A 80 16.165 13.191 2.659 1.00 0.00 O ATOM 0 H GLY A 80 17.252 9.176 2.569 1.00 0.00 H new ATOM 0 HA2 GLY A 80 15.186 10.978 3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.871 10.865 4.164 1.00 0.00 H new ATOM 1237 N LEU A 81 17.219 11.789 1.328 1.00 0.00 N ATOM 1238 CA LEU A 81 17.598 12.844 0.352 1.00 0.00 C ATOM 1239 C LEU A 81 17.110 12.413 -1.016 1.00 0.00 C ATOM 1240 O LEU A 81 16.463 11.395 -1.160 1.00 0.00 O ATOM 1241 CB LEU A 81 19.131 13.011 0.319 1.00 0.00 C ATOM 1242 CG LEU A 81 19.859 11.648 0.432 1.00 0.00 C ATOM 1243 CD1 LEU A 81 19.708 11.046 1.851 1.00 0.00 C ATOM 1244 CD2 LEU A 81 19.324 10.658 -0.625 1.00 0.00 C ATOM 0 H LEU A 81 17.542 10.853 1.082 1.00 0.00 H new ATOM 0 HA LEU A 81 17.150 13.795 0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 81 19.423 13.504 -0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 81 19.444 13.660 1.137 1.00 0.00 H new ATOM 0 HG LEU A 81 20.919 11.822 0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 81 20.230 10.090 1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 81 20.137 11.730 2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 81 18.651 10.894 2.071 1.00 0.00 H new ATOM 0 HD21 LEU A 81 19.847 9.707 -0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 81 18.256 10.502 -0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 81 19.490 11.066 -1.622 1.00 0.00 H new ATOM 1256 N VAL A 82 17.444 13.144 -2.033 1.00 0.00 N ATOM 1257 CA VAL A 82 17.019 12.712 -3.388 1.00 0.00 C ATOM 1258 C VAL A 82 18.016 11.636 -3.864 1.00 0.00 C ATOM 1259 O VAL A 82 19.209 11.850 -3.773 1.00 0.00 O ATOM 1260 CB VAL A 82 17.030 13.897 -4.360 1.00 0.00 C ATOM 1261 CG1 VAL A 82 15.737 14.701 -4.207 1.00 0.00 C ATOM 1262 CG2 VAL A 82 18.231 14.796 -4.058 1.00 0.00 C ATOM 0 H VAL A 82 17.984 14.008 -1.990 1.00 0.00 H new ATOM 0 HA VAL A 82 16.004 12.316 -3.356 1.00 0.00 H new ATOM 0 HB VAL A 82 17.104 13.524 -5.382 1.00 0.00 H new ATOM 0 HG11 VAL A 82 15.748 15.543 -4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.882 14.061 -4.427 1.00 0.00 H new ATOM 0 HG13 VAL A 82 15.658 15.073 -3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 82 18.238 15.638 -4.750 1.00 0.00 H new ATOM 0 HG22 VAL A 82 18.160 15.167 -3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 82 19.152 14.224 -4.173 1.00 0.00 H new ATOM 1272 N PRO A 83 17.536 10.504 -4.340 1.00 0.00 N ATOM 1273 CA PRO A 83 18.435 9.428 -4.777 1.00 0.00 C ATOM 1274 C PRO A 83 19.580 9.988 -5.633 1.00 0.00 C ATOM 1275 O PRO A 83 19.357 10.624 -6.644 1.00 0.00 O ATOM 1276 CB PRO A 83 17.539 8.469 -5.577 1.00 0.00 C ATOM 1277 CG PRO A 83 16.078 8.825 -5.210 1.00 0.00 C ATOM 1278 CD PRO A 83 16.102 10.199 -4.508 1.00 0.00 C ATOM 0 HA PRO A 83 18.916 8.921 -3.941 1.00 0.00 H new ATOM 0 HB2 PRO A 83 17.709 8.582 -6.648 1.00 0.00 H new ATOM 0 HB3 PRO A 83 17.760 7.431 -5.327 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.455 8.861 -6.104 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.651 8.066 -4.554 1.00 0.00 H new ATOM 0 HD2 PRO A 83 15.602 10.960 -5.108 1.00 0.00 H new ATOM 0 HD3 PRO A 83 15.589 10.163 -3.547 1.00 0.00 H new ATOM 1286 N ARG A 84 20.799 9.753 -5.234 1.00 0.00 N ATOM 1287 CA ARG A 84 21.955 10.270 -6.022 1.00 0.00 C ATOM 1288 C ARG A 84 22.222 9.332 -7.201 1.00 0.00 C ATOM 1289 O ARG A 84 23.339 9.333 -7.693 1.00 0.00 O ATOM 1290 CB ARG A 84 23.199 10.331 -5.127 1.00 0.00 C ATOM 1291 CG ARG A 84 22.928 11.211 -3.895 1.00 0.00 C ATOM 1292 CD ARG A 84 23.102 12.692 -4.250 1.00 0.00 C ATOM 1293 NE ARG A 84 24.463 12.919 -4.810 1.00 0.00 N ATOM 1294 CZ ARG A 84 24.728 14.019 -5.459 1.00 0.00 C ATOM 1295 NH1 ARG A 84 23.802 14.925 -5.613 1.00 0.00 N ATOM 1296 NH2 ARG A 84 25.920 14.214 -5.955 1.00 0.00 N ATOM 1297 OXT ARG A 84 21.305 8.631 -7.595 1.00 0.00 O ATOM 0 H ARG A 84 21.046 9.225 -4.397 1.00 0.00 H new ATOM 0 HA ARG A 84 21.726 11.269 -6.393 1.00 0.00 H new ATOM 0 HB2 ARG A 84 23.477 9.326 -4.810 1.00 0.00 H new ATOM 0 HB3 ARG A 84 24.041 10.732 -5.691 1.00 0.00 H new ATOM 0 HG2 ARG A 84 21.917 11.034 -3.529 1.00 0.00 H new ATOM 0 HG3 ARG A 84 23.611 10.941 -3.089 1.00 0.00 H new ATOM 0 HD2 ARG A 84 22.346 12.993 -4.975 1.00 0.00 H new ATOM 0 HD3 ARG A 84 22.956 13.308 -3.363 1.00 0.00 H new ATOM 0 HE ARG A 84 25.189 12.213 -4.686 1.00 0.00 H new ATOM 0 HH11 ARG A 84 22.871 14.773 -5.226 1.00 0.00 H new ATOM 0 HH12 ARG A 84 24.009 15.785 -6.121 1.00 0.00 H new ATOM 0 HH21 ARG A 84 26.644 13.506 -5.835 1.00 0.00 H new ATOM 0 HH22 ARG A 84 26.127 15.074 -6.462 1.00 0.00 H new TER 1311 ARG A 84