USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 935 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 23 SER OG : rot -36:sc= 0.955 USER MOD Set 1.2: A 25 ASN : amide:sc= -4.35! C(o=-3.4!,f=-10!) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0069 (180deg=-0.336) USER MOD Single : A 1 MET N :NH3+ 151:sc= -1.15! (180deg=-3.94!) USER MOD Single : A 5 GLN : amide:sc= -4.62! K(o=-4.6!,f=-1.3) USER MOD Single : A 7 SER OG : rot 144:sc= -3.09! USER MOD Single : A 8 LYS NZ :NH3+ -116:sc= -0.941 (180deg=-2.91!) USER MOD Single : A 13 THR OG1 : rot 0:sc= 0.0236 USER MOD Single : A 21 SER OG : rot 180:sc= -0.052 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -4.37! C(o=-4.4!,f=-4.7!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.128 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -37:sc= 0.648 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.333 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 18:sc= 0.778! USER MOD Single : A 52 MET CE :methyl -164:sc= -0.235 (180deg=-0.932) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -174:sc= -1.67 (180deg=-1.72) USER MOD Single : A 72 ASN : amide:sc= -6.78! C(o=-6.8!,f=-12!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -1.16 K(o=-1.2,f=-4.7!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 15:sc= -0.447 USER MOD Single : A 104 ASN : amide:sc= -1.54! C(o=-1.5!,f=-6.7!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= -0.421 (180deg=-0.421) USER MOD Single : A 111 SER OG : rot 180:sc= -1.15 USER MOD Single : A 115 HIS : no HD1:sc= -4.4! C(o=-4.4!,f=-1.6!) USER MOD Single : A 116 HIS : no HD1:sc= -0.253 K(o=-0.25,f=-0.94) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.2) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 120 HIS : no HD1:sc= -0.263 K(o=-0.26,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.858 2.655 13.126 1.00 0.00 N ATOM 2 CA MET A 1 10.475 2.893 11.793 1.00 0.00 C ATOM 3 C MET A 1 9.648 2.208 10.707 1.00 0.00 C ATOM 4 O MET A 1 9.251 1.065 10.838 1.00 0.00 O ATOM 5 CB MET A 1 11.908 2.345 11.783 1.00 0.00 C ATOM 6 CG MET A 1 12.754 3.110 12.806 1.00 0.00 C ATOM 7 SD MET A 1 12.403 2.489 14.470 1.00 0.00 S ATOM 8 CE MET A 1 13.641 1.168 14.491 1.00 0.00 C ATOM 0 H1 MET A 1 10.597 2.664 13.857 1.00 0.00 H new ATOM 0 H2 MET A 1 9.164 3.403 13.326 1.00 0.00 H new ATOM 0 H3 MET A 1 9.381 1.731 13.128 1.00 0.00 H new ATOM 0 HA MET A 1 10.500 3.965 11.595 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.904 1.281 12.021 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.341 2.447 10.788 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.813 2.991 12.579 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.534 4.176 12.751 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.429 0.484 15.313 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.608 0.623 13.547 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.632 1.601 14.626 1.00 0.00 H new ATOM 20 N ALA A 2 9.390 2.909 9.636 1.00 0.00 N ATOM 21 CA ALA A 2 8.593 2.331 8.513 1.00 0.00 C ATOM 22 C ALA A 2 8.514 3.331 7.356 1.00 0.00 C ATOM 23 O ALA A 2 8.507 4.533 7.547 1.00 0.00 O ATOM 24 CB ALA A 2 7.180 1.995 8.998 1.00 0.00 C ATOM 0 H ALA A 2 9.701 3.869 9.489 1.00 0.00 H new ATOM 0 HA ALA A 2 9.082 1.421 8.166 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.603 1.574 8.175 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.237 1.270 9.810 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.693 2.902 9.356 1.00 0.00 H new ATOM 30 N GLU A 3 8.458 2.826 6.154 1.00 0.00 N ATOM 31 CA GLU A 3 8.381 3.709 4.957 1.00 0.00 C ATOM 32 C GLU A 3 7.713 2.973 3.799 1.00 0.00 C ATOM 33 O GLU A 3 8.020 1.836 3.501 1.00 0.00 O ATOM 34 CB GLU A 3 9.791 4.135 4.546 1.00 0.00 C ATOM 35 CG GLU A 3 9.716 4.992 3.280 1.00 0.00 C ATOM 36 CD GLU A 3 11.102 5.539 2.943 1.00 0.00 C ATOM 37 OE1 GLU A 3 12.062 5.072 3.534 1.00 0.00 O ATOM 38 OE2 GLU A 3 11.180 6.413 2.094 1.00 0.00 O ATOM 0 H GLU A 3 8.462 1.827 5.949 1.00 0.00 H new ATOM 0 HA GLU A 3 7.788 4.590 5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 3 10.262 4.698 5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 3 10.410 3.256 4.367 1.00 0.00 H new ATOM 0 HG2 GLU A 3 9.338 4.397 2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 3 9.016 5.815 3.427 1.00 0.00 H new ATOM 45 N ILE A 4 6.808 3.642 3.133 1.00 0.00 N ATOM 46 CA ILE A 4 6.095 3.037 1.968 1.00 0.00 C ATOM 47 C ILE A 4 6.374 3.857 0.712 1.00 0.00 C ATOM 48 O ILE A 4 6.216 5.062 0.688 1.00 0.00 O ATOM 49 CB ILE A 4 4.591 3.013 2.245 1.00 0.00 C ATOM 50 CG1 ILE A 4 4.316 2.102 3.445 1.00 0.00 C ATOM 51 CG2 ILE A 4 3.861 2.475 1.012 1.00 0.00 C ATOM 52 CD1 ILE A 4 2.858 2.248 3.888 1.00 0.00 C ATOM 0 H ILE A 4 6.528 4.598 3.351 1.00 0.00 H new ATOM 0 HA ILE A 4 6.450 2.018 1.817 1.00 0.00 H new ATOM 0 HB ILE A 4 4.237 4.020 2.465 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.522 1.065 3.180 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.983 2.359 4.268 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.788 2.456 1.204 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.065 3.121 0.158 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.209 1.465 0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.670 1.597 4.742 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.666 3.283 4.171 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.198 1.968 3.067 1.00 0.00 H new ATOM 64 N GLN A 5 6.792 3.195 -0.330 1.00 0.00 N ATOM 65 CA GLN A 5 7.093 3.896 -1.610 1.00 0.00 C ATOM 66 C GLN A 5 6.919 2.930 -2.782 1.00 0.00 C ATOM 67 O GLN A 5 6.938 1.724 -2.624 1.00 0.00 O ATOM 68 CB GLN A 5 8.527 4.424 -1.581 1.00 0.00 C ATOM 69 CG GLN A 5 9.497 3.266 -1.322 1.00 0.00 C ATOM 70 CD GLN A 5 10.928 3.803 -1.215 1.00 0.00 C ATOM 71 OE1 GLN A 5 11.836 3.075 -0.868 1.00 0.00 O ATOM 72 NE2 GLN A 5 11.170 5.053 -1.495 1.00 0.00 N ATOM 0 H GLN A 5 6.940 2.186 -0.350 1.00 0.00 H new ATOM 0 HA GLN A 5 6.405 4.733 -1.733 1.00 0.00 H new ATOM 0 HB2 GLN A 5 8.766 4.907 -2.528 1.00 0.00 H new ATOM 0 HB3 GLN A 5 8.631 5.180 -0.803 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.223 2.749 -0.403 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.432 2.537 -2.130 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.409 5.667 -1.787 1.00 0.00 H new ATOM 0 HE22 GLN A 5 12.120 5.417 -1.422 1.00 0.00 H new ATOM 81 N PHE A 6 6.740 3.467 -3.956 1.00 0.00 N ATOM 82 CA PHE A 6 6.546 2.624 -5.173 1.00 0.00 C ATOM 83 C PHE A 6 7.903 2.328 -5.807 1.00 0.00 C ATOM 84 O PHE A 6 7.995 1.633 -6.798 1.00 0.00 O ATOM 85 CB PHE A 6 5.667 3.381 -6.173 1.00 0.00 C ATOM 86 CG PHE A 6 4.272 3.523 -5.612 1.00 0.00 C ATOM 87 CD1 PHE A 6 3.362 2.466 -5.731 1.00 0.00 C ATOM 88 CD2 PHE A 6 3.887 4.710 -4.974 1.00 0.00 C ATOM 89 CE1 PHE A 6 2.069 2.593 -5.210 1.00 0.00 C ATOM 90 CE2 PHE A 6 2.593 4.836 -4.452 1.00 0.00 C ATOM 91 CZ PHE A 6 1.683 3.779 -4.572 1.00 0.00 C ATOM 0 H PHE A 6 6.719 4.472 -4.128 1.00 0.00 H new ATOM 0 HA PHE A 6 6.064 1.686 -4.899 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.091 4.365 -6.374 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.636 2.847 -7.123 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.658 1.552 -6.225 1.00 0.00 H new ATOM 0 HD2 PHE A 6 4.587 5.527 -4.885 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.368 1.776 -5.300 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.297 5.749 -3.957 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.684 3.878 -4.173 1.00 0.00 H new ATOM 101 N SER A 7 8.959 2.852 -5.243 1.00 0.00 N ATOM 102 CA SER A 7 10.321 2.606 -5.810 1.00 0.00 C ATOM 103 C SER A 7 11.352 2.537 -4.683 1.00 0.00 C ATOM 104 O SER A 7 11.155 1.879 -3.680 1.00 0.00 O ATOM 105 CB SER A 7 10.697 3.749 -6.754 1.00 0.00 C ATOM 106 OG SER A 7 11.169 4.858 -5.997 1.00 0.00 O ATOM 0 H SER A 7 8.938 3.442 -4.411 1.00 0.00 H new ATOM 0 HA SER A 7 10.311 1.661 -6.354 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.466 3.419 -7.453 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.832 4.043 -7.348 1.00 0.00 H new ATOM 0 HG SER A 7 11.892 5.304 -6.486 1.00 0.00 H new ATOM 112 N LYS A 8 12.462 3.208 -4.853 1.00 0.00 N ATOM 113 CA LYS A 8 13.534 3.195 -3.816 1.00 0.00 C ATOM 114 C LYS A 8 14.249 4.546 -3.788 1.00 0.00 C ATOM 115 O LYS A 8 15.084 4.848 -4.619 1.00 0.00 O ATOM 116 CB LYS A 8 14.544 2.085 -4.132 1.00 0.00 C ATOM 117 CG LYS A 8 13.871 0.723 -3.948 1.00 0.00 C ATOM 118 CD LYS A 8 14.901 -0.390 -4.161 1.00 0.00 C ATOM 119 CE LYS A 8 15.432 -0.344 -5.604 1.00 0.00 C ATOM 120 NZ LYS A 8 16.631 0.539 -5.656 1.00 0.00 N ATOM 0 H LYS A 8 12.673 3.771 -5.677 1.00 0.00 H new ATOM 0 HA LYS A 8 13.084 3.009 -2.841 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.908 2.189 -5.154 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.410 2.167 -3.475 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.442 0.650 -2.949 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.050 0.613 -4.656 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.725 -0.274 -3.457 1.00 0.00 H new ATOM 0 HD3 LYS A 8 14.447 -1.361 -3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 8 15.690 -1.348 -5.942 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.660 0.030 -6.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.430 1.363 -6.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.867 0.861 -4.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.435 0.010 -6.051 1.00 0.00 H new ATOM 134 N GLY A 9 13.917 5.354 -2.817 1.00 0.00 N ATOM 135 CA GLY A 9 14.551 6.701 -2.670 1.00 0.00 C ATOM 136 C GLY A 9 13.561 7.765 -3.122 1.00 0.00 C ATOM 137 O GLY A 9 13.869 8.938 -3.160 1.00 0.00 O ATOM 0 H GLY A 9 13.220 5.135 -2.105 1.00 0.00 H new ATOM 0 HA2 GLY A 9 14.839 6.871 -1.632 1.00 0.00 H new ATOM 0 HA3 GLY A 9 15.462 6.756 -3.267 1.00 0.00 H new ATOM 141 N VAL A 10 12.372 7.356 -3.467 1.00 0.00 N ATOM 142 CA VAL A 10 11.335 8.320 -3.930 1.00 0.00 C ATOM 143 C VAL A 10 10.432 8.698 -2.757 1.00 0.00 C ATOM 144 O VAL A 10 9.325 9.158 -2.945 1.00 0.00 O ATOM 145 CB VAL A 10 10.511 7.656 -5.043 1.00 0.00 C ATOM 146 CG1 VAL A 10 9.702 6.477 -4.477 1.00 0.00 C ATOM 147 CG2 VAL A 10 9.553 8.683 -5.663 1.00 0.00 C ATOM 0 H VAL A 10 12.071 6.382 -3.447 1.00 0.00 H new ATOM 0 HA VAL A 10 11.804 9.225 -4.315 1.00 0.00 H new ATOM 0 HB VAL A 10 11.192 7.284 -5.808 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.123 6.016 -5.277 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.383 5.740 -4.051 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.026 6.838 -3.702 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.971 8.207 -6.452 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.880 9.063 -4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.127 9.509 -6.083 1.00 0.00 H new ATOM 157 N ALA A 11 10.902 8.496 -1.554 1.00 0.00 N ATOM 158 CA ALA A 11 10.095 8.821 -0.331 1.00 0.00 C ATOM 159 C ALA A 11 9.204 10.037 -0.578 1.00 0.00 C ATOM 160 O ALA A 11 9.670 11.143 -0.755 1.00 0.00 O ATOM 161 CB ALA A 11 11.044 9.104 0.835 1.00 0.00 C ATOM 0 H ALA A 11 11.827 8.113 -1.360 1.00 0.00 H new ATOM 0 HA ALA A 11 9.456 7.971 -0.093 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.464 9.341 1.727 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.659 8.224 1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.686 9.949 0.585 1.00 0.00 H new ATOM 167 N GLU A 12 7.916 9.816 -0.604 1.00 0.00 N ATOM 168 CA GLU A 12 6.949 10.927 -0.853 1.00 0.00 C ATOM 169 C GLU A 12 6.468 11.478 0.491 1.00 0.00 C ATOM 170 O GLU A 12 5.793 12.485 0.552 1.00 0.00 O ATOM 171 CB GLU A 12 5.755 10.384 -1.651 1.00 0.00 C ATOM 172 CG GLU A 12 6.248 9.835 -2.991 1.00 0.00 C ATOM 173 CD GLU A 12 5.068 9.277 -3.789 1.00 0.00 C ATOM 174 OE1 GLU A 12 3.946 9.420 -3.334 1.00 0.00 O ATOM 175 OE2 GLU A 12 5.311 8.710 -4.839 1.00 0.00 O ATOM 0 H GLU A 12 7.487 8.902 -0.462 1.00 0.00 H new ATOM 0 HA GLU A 12 7.430 11.724 -1.421 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.253 9.599 -1.086 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.024 11.175 -1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.741 10.624 -3.558 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.988 9.052 -2.824 1.00 0.00 H new ATOM 182 N THR A 13 6.825 10.819 1.565 1.00 0.00 N ATOM 183 CA THR A 13 6.414 11.275 2.929 1.00 0.00 C ATOM 184 C THR A 13 4.896 11.458 2.972 1.00 0.00 C ATOM 185 O THR A 13 4.355 12.054 3.884 1.00 0.00 O ATOM 186 CB THR A 13 7.116 12.598 3.266 1.00 0.00 C ATOM 187 OG1 THR A 13 6.632 13.625 2.416 1.00 0.00 O ATOM 188 CG2 THR A 13 8.628 12.444 3.077 1.00 0.00 C ATOM 0 H THR A 13 7.392 9.971 1.554 1.00 0.00 H new ATOM 0 HA THR A 13 6.703 10.525 3.665 1.00 0.00 H new ATOM 0 HB THR A 13 6.908 12.860 4.303 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.957 13.256 1.809 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.122 13.385 3.317 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.999 11.660 3.737 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.840 12.177 2.042 1.00 0.00 H new ATOM 196 N VAL A 14 4.216 10.940 1.984 1.00 0.00 N ATOM 197 CA VAL A 14 2.726 11.061 1.923 1.00 0.00 C ATOM 198 C VAL A 14 2.076 10.221 3.015 1.00 0.00 C ATOM 199 O VAL A 14 2.639 9.263 3.501 1.00 0.00 O ATOM 200 CB VAL A 14 2.233 10.598 0.541 1.00 0.00 C ATOM 201 CG1 VAL A 14 0.703 10.471 0.555 1.00 0.00 C ATOM 202 CG2 VAL A 14 2.650 11.630 -0.523 1.00 0.00 C ATOM 0 H VAL A 14 4.634 10.431 1.205 1.00 0.00 H new ATOM 0 HA VAL A 14 2.448 12.103 2.080 1.00 0.00 H new ATOM 0 HB VAL A 14 2.675 9.630 0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.356 10.143 -0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.405 9.742 1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.260 11.438 0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.302 11.303 -1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.208 12.597 -0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.736 11.721 -0.536 1.00 0.00 H new ATOM 212 N VAL A 15 0.882 10.594 3.396 1.00 0.00 N ATOM 213 CA VAL A 15 0.139 9.855 4.463 1.00 0.00 C ATOM 214 C VAL A 15 -1.125 9.217 3.867 1.00 0.00 C ATOM 215 O VAL A 15 -2.200 9.783 3.926 1.00 0.00 O ATOM 216 CB VAL A 15 -0.253 10.832 5.571 1.00 0.00 C ATOM 217 CG1 VAL A 15 -0.735 10.038 6.786 1.00 0.00 C ATOM 218 CG2 VAL A 15 0.969 11.670 5.965 1.00 0.00 C ATOM 0 H VAL A 15 0.381 11.393 3.007 1.00 0.00 H new ATOM 0 HA VAL A 15 0.775 9.071 4.874 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.047 11.490 5.220 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.017 10.727 7.582 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.598 9.433 6.507 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.066 9.387 7.136 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.692 12.368 6.755 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.761 11.012 6.323 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.324 12.226 5.097 1.00 0.00 H new ATOM 228 N PRO A 16 -0.994 8.044 3.293 1.00 0.00 N ATOM 229 CA PRO A 16 -2.135 7.312 2.677 1.00 0.00 C ATOM 230 C PRO A 16 -3.008 6.611 3.716 1.00 0.00 C ATOM 231 O PRO A 16 -2.555 6.249 4.783 1.00 0.00 O ATOM 232 CB PRO A 16 -1.450 6.302 1.756 1.00 0.00 C ATOM 233 CG PRO A 16 -0.145 6.006 2.420 1.00 0.00 C ATOM 234 CD PRO A 16 0.262 7.280 3.168 1.00 0.00 C ATOM 0 HA PRO A 16 -2.819 7.980 2.154 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.050 5.399 1.643 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.302 6.714 0.758 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.242 5.166 3.108 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.611 5.730 1.684 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.687 7.050 4.145 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.016 7.841 2.617 1.00 0.00 H new ATOM 242 N GLU A 17 -4.257 6.414 3.397 1.00 0.00 N ATOM 243 CA GLU A 17 -5.184 5.739 4.346 1.00 0.00 C ATOM 244 C GLU A 17 -5.057 4.226 4.213 1.00 0.00 C ATOM 245 O GLU A 17 -4.748 3.702 3.162 1.00 0.00 O ATOM 246 CB GLU A 17 -6.624 6.156 4.046 1.00 0.00 C ATOM 247 CG GLU A 17 -7.554 5.521 5.081 1.00 0.00 C ATOM 248 CD GLU A 17 -8.984 6.022 4.872 1.00 0.00 C ATOM 249 OE1 GLU A 17 -9.236 6.620 3.840 1.00 0.00 O ATOM 250 OE2 GLU A 17 -9.801 5.799 5.749 1.00 0.00 O ATOM 0 H GLU A 17 -4.678 6.695 2.511 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.924 6.033 5.363 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.715 7.242 4.075 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.906 5.839 3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.523 4.435 4.993 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.216 5.769 6.087 1.00 0.00 H new ATOM 257 N VAL A 18 -5.298 3.528 5.291 1.00 0.00 N ATOM 258 CA VAL A 18 -5.202 2.037 5.287 1.00 0.00 C ATOM 259 C VAL A 18 -6.515 1.434 5.762 1.00 0.00 C ATOM 260 O VAL A 18 -7.077 1.837 6.761 1.00 0.00 O ATOM 261 CB VAL A 18 -4.071 1.599 6.216 1.00 0.00 C ATOM 262 CG1 VAL A 18 -3.998 0.071 6.240 1.00 0.00 C ATOM 263 CG2 VAL A 18 -2.746 2.167 5.698 1.00 0.00 C ATOM 0 H VAL A 18 -5.562 3.934 6.189 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.996 1.692 4.274 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.258 1.969 7.224 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.192 -0.244 6.902 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.944 -0.333 6.602 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.807 -0.300 5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.935 1.858 6.357 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.558 1.793 4.692 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.801 3.255 5.676 1.00 0.00 H new ATOM 273 N ARG A 19 -7.003 0.463 5.041 1.00 0.00 N ATOM 274 CA ARG A 19 -8.285 -0.205 5.414 1.00 0.00 C ATOM 275 C ARG A 19 -8.107 -1.719 5.374 1.00 0.00 C ATOM 276 O ARG A 19 -7.461 -2.266 4.502 1.00 0.00 O ATOM 277 CB ARG A 19 -9.380 0.209 4.434 1.00 0.00 C ATOM 278 CG ARG A 19 -9.664 1.706 4.596 1.00 0.00 C ATOM 279 CD ARG A 19 -10.770 2.135 3.627 1.00 0.00 C ATOM 280 NE ARG A 19 -10.261 2.058 2.225 1.00 0.00 N ATOM 281 CZ ARG A 19 -11.054 2.307 1.213 1.00 0.00 C ATOM 282 NH1 ARG A 19 -12.310 2.621 1.408 1.00 0.00 N ATOM 283 NH2 ARG A 19 -10.586 2.241 0.000 1.00 0.00 N ATOM 0 H ARG A 19 -6.562 0.098 4.197 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.569 0.096 6.422 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.069 -0.005 3.412 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.287 -0.367 4.619 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.965 1.919 5.622 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.757 2.280 4.404 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.641 1.491 3.745 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.092 3.151 3.853 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.287 1.809 2.054 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.681 2.674 2.357 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.917 2.813 0.611 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.608 1.997 -0.157 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.197 2.433 -0.794 1.00 0.00 H new ATOM 297 N LEU A 20 -8.682 -2.392 6.329 1.00 0.00 N ATOM 298 CA LEU A 20 -8.574 -3.878 6.403 1.00 0.00 C ATOM 299 C LEU A 20 -9.798 -4.522 5.768 1.00 0.00 C ATOM 300 O LEU A 20 -10.903 -4.032 5.874 1.00 0.00 O ATOM 301 CB LEU A 20 -8.468 -4.308 7.877 1.00 0.00 C ATOM 302 CG LEU A 20 -7.020 -4.128 8.362 1.00 0.00 C ATOM 303 CD1 LEU A 20 -6.098 -5.164 7.681 1.00 0.00 C ATOM 304 CD2 LEU A 20 -6.534 -2.707 8.026 1.00 0.00 C ATOM 0 H LEU A 20 -9.233 -1.969 7.076 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.684 -4.201 5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.145 -3.712 8.490 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.772 -5.349 7.986 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.988 -4.278 9.441 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.075 -5.027 8.032 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.435 -6.170 7.930 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.132 -5.027 6.600 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.508 -2.582 8.371 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.576 -2.554 6.948 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.174 -1.977 8.521 1.00 0.00 H new ATOM 316 N SER A 21 -9.592 -5.632 5.112 1.00 0.00 N ATOM 317 CA SER A 21 -10.721 -6.347 4.455 1.00 0.00 C ATOM 318 C SER A 21 -10.378 -7.827 4.299 1.00 0.00 C ATOM 319 O SER A 21 -9.261 -8.250 4.516 1.00 0.00 O ATOM 320 CB SER A 21 -10.974 -5.747 3.075 1.00 0.00 C ATOM 321 OG SER A 21 -12.224 -6.219 2.589 1.00 0.00 O ATOM 0 H SER A 21 -8.681 -6.077 5.003 1.00 0.00 H new ATOM 0 HA SER A 21 -11.613 -6.242 5.072 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.979 -4.659 3.132 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.174 -6.027 2.390 1.00 0.00 H new ATOM 0 HG SER A 21 -12.396 -5.837 1.703 1.00 0.00 H new ATOM 327 N LYS A 22 -11.348 -8.613 3.915 1.00 0.00 N ATOM 328 CA LYS A 22 -11.123 -10.079 3.725 1.00 0.00 C ATOM 329 C LYS A 22 -11.898 -10.570 2.506 1.00 0.00 C ATOM 330 O LYS A 22 -13.100 -10.416 2.409 1.00 0.00 O ATOM 331 CB LYS A 22 -11.592 -10.836 4.965 1.00 0.00 C ATOM 332 CG LYS A 22 -10.646 -10.534 6.132 1.00 0.00 C ATOM 333 CD LYS A 22 -10.954 -11.474 7.300 1.00 0.00 C ATOM 334 CE LYS A 22 -12.307 -11.113 7.922 1.00 0.00 C ATOM 335 NZ LYS A 22 -12.434 -11.770 9.252 1.00 0.00 N ATOM 0 H LYS A 22 -12.299 -8.299 3.722 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.059 -10.258 3.570 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.610 -10.541 5.221 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.611 -11.907 4.765 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.610 -10.659 5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.761 -9.497 6.447 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.969 -12.507 6.952 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.168 -11.402 8.052 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.393 -10.032 8.029 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.117 -11.434 7.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.352 -11.525 9.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.370 -12.802 9.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.668 -11.443 9.875 1.00 0.00 H new ATOM 349 N SER A 23 -11.196 -11.177 1.584 1.00 0.00 N ATOM 350 CA SER A 23 -11.827 -11.715 0.339 1.00 0.00 C ATOM 351 C SER A 23 -12.938 -10.781 -0.133 1.00 0.00 C ATOM 352 O SER A 23 -13.907 -11.204 -0.731 1.00 0.00 O ATOM 353 CB SER A 23 -12.388 -13.106 0.619 1.00 0.00 C ATOM 354 OG SER A 23 -13.080 -13.572 -0.530 1.00 0.00 O ATOM 0 H SER A 23 -10.189 -11.326 1.643 1.00 0.00 H new ATOM 0 HA SER A 23 -11.076 -11.782 -0.448 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.580 -13.792 0.875 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.062 -13.074 1.475 1.00 0.00 H new ATOM 0 HG SER A 23 -13.531 -12.820 -0.968 1.00 0.00 H new ATOM 360 N LYS A 24 -12.795 -9.513 0.153 1.00 0.00 N ATOM 361 CA LYS A 24 -13.822 -8.509 -0.252 1.00 0.00 C ATOM 362 C LYS A 24 -15.163 -8.885 0.367 1.00 0.00 C ATOM 363 O LYS A 24 -16.161 -8.227 0.156 1.00 0.00 O ATOM 364 CB LYS A 24 -13.945 -8.483 -1.775 1.00 0.00 C ATOM 365 CG LYS A 24 -12.569 -8.241 -2.409 1.00 0.00 C ATOM 366 CD LYS A 24 -12.083 -6.822 -2.085 1.00 0.00 C ATOM 367 CE LYS A 24 -10.945 -6.437 -3.030 1.00 0.00 C ATOM 368 NZ LYS A 24 -10.480 -5.059 -2.701 1.00 0.00 N ATOM 0 H LYS A 24 -11.998 -9.126 0.658 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.524 -7.520 0.097 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.357 -9.427 -2.131 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.638 -7.698 -2.079 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.854 -8.973 -2.035 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.628 -8.376 -3.489 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.906 -6.114 -2.184 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.742 -6.772 -1.051 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.121 -7.144 -2.934 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.285 -6.482 -4.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.705 -4.792 -3.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.269 -4.390 -2.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.141 -5.032 -1.718 1.00 0.00 H new ATOM 382 N ASN A 25 -15.186 -9.938 1.132 1.00 0.00 N ATOM 383 CA ASN A 25 -16.450 -10.384 1.785 1.00 0.00 C ATOM 384 C ASN A 25 -16.109 -11.149 3.067 1.00 0.00 C ATOM 385 O ASN A 25 -16.601 -10.841 4.133 1.00 0.00 O ATOM 386 CB ASN A 25 -17.214 -11.309 0.832 1.00 0.00 C ATOM 387 CG ASN A 25 -16.244 -12.273 0.141 1.00 0.00 C ATOM 388 OD1 ASN A 25 -15.625 -13.101 0.782 1.00 0.00 O ATOM 389 ND2 ASN A 25 -16.091 -12.206 -1.153 1.00 0.00 N ATOM 0 H ASN A 25 -14.372 -10.518 1.337 1.00 0.00 H new ATOM 0 HA ASN A 25 -17.066 -9.517 2.025 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -17.966 -11.872 1.385 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -17.744 -10.717 0.086 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -15.453 -12.847 -1.625 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -16.609 -11.513 -1.693 1.00 0.00 H new ATOM 396 N GLY A 26 -15.273 -12.145 2.965 1.00 0.00 N ATOM 397 CA GLY A 26 -14.890 -12.945 4.169 1.00 0.00 C ATOM 398 C GLY A 26 -14.569 -14.382 3.751 1.00 0.00 C ATOM 399 O GLY A 26 -15.444 -15.207 3.589 1.00 0.00 O ATOM 0 H GLY A 26 -14.834 -12.443 2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.025 -12.496 4.656 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.703 -12.940 4.895 1.00 0.00 H new ATOM 403 N GLN A 27 -13.311 -14.680 3.591 1.00 0.00 N ATOM 404 CA GLN A 27 -12.891 -16.053 3.204 1.00 0.00 C ATOM 405 C GLN A 27 -11.364 -16.144 3.269 1.00 0.00 C ATOM 406 O GLN A 27 -10.803 -17.197 3.489 1.00 0.00 O ATOM 407 CB GLN A 27 -13.351 -16.354 1.779 1.00 0.00 C ATOM 408 CG GLN A 27 -13.112 -17.834 1.462 1.00 0.00 C ATOM 409 CD GLN A 27 -11.632 -18.070 1.144 1.00 0.00 C ATOM 410 OE1 GLN A 27 -11.009 -18.943 1.715 1.00 0.00 O ATOM 411 NE2 GLN A 27 -11.036 -17.325 0.253 1.00 0.00 N ATOM 0 H GLN A 27 -12.544 -14.019 3.714 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.339 -16.775 3.887 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.409 -16.115 1.670 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -12.808 -15.728 1.071 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.413 -18.449 2.310 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.727 -18.137 0.615 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.556 -16.591 -0.228 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.050 -17.477 0.038 1.00 0.00 H new ATOM 420 N SER A 28 -10.691 -15.038 3.076 1.00 0.00 N ATOM 421 CA SER A 28 -9.200 -15.040 3.122 1.00 0.00 C ATOM 422 C SER A 28 -8.688 -13.672 3.571 1.00 0.00 C ATOM 423 O SER A 28 -9.386 -12.676 3.525 1.00 0.00 O ATOM 424 CB SER A 28 -8.646 -15.353 1.733 1.00 0.00 C ATOM 425 OG SER A 28 -9.233 -14.478 0.777 1.00 0.00 O ATOM 0 H SER A 28 -11.114 -14.129 2.888 1.00 0.00 H new ATOM 0 HA SER A 28 -8.869 -15.799 3.831 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.562 -15.239 1.728 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.858 -16.390 1.471 1.00 0.00 H new ATOM 0 HG SER A 28 -8.876 -14.679 -0.113 1.00 0.00 H new ATOM 431 N GLY A 29 -7.465 -13.636 4.019 1.00 0.00 N ATOM 432 CA GLY A 29 -6.857 -12.367 4.501 1.00 0.00 C ATOM 433 C GLY A 29 -6.678 -11.393 3.346 1.00 0.00 C ATOM 434 O GLY A 29 -6.298 -11.765 2.255 1.00 0.00 O ATOM 0 H GLY A 29 -6.850 -14.448 4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.491 -11.920 5.267 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.892 -12.572 4.965 1.00 0.00 H new ATOM 438 N MET A 30 -6.944 -10.139 3.590 1.00 0.00 N ATOM 439 CA MET A 30 -6.786 -9.114 2.520 1.00 0.00 C ATOM 440 C MET A 30 -6.548 -7.739 3.138 1.00 0.00 C ATOM 441 O MET A 30 -6.995 -7.436 4.228 1.00 0.00 O ATOM 442 CB MET A 30 -8.047 -9.073 1.657 1.00 0.00 C ATOM 443 CG MET A 30 -7.850 -8.074 0.514 1.00 0.00 C ATOM 444 SD MET A 30 -9.310 -8.093 -0.553 1.00 0.00 S ATOM 445 CE MET A 30 -8.745 -9.377 -1.693 1.00 0.00 C ATOM 0 H MET A 30 -7.265 -9.779 4.489 1.00 0.00 H new ATOM 0 HA MET A 30 -5.928 -9.380 1.902 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.258 -10.064 1.256 1.00 0.00 H new ATOM 0 HB3 MET A 30 -8.906 -8.784 2.263 1.00 0.00 H new ATOM 0 HG2 MET A 30 -7.691 -7.073 0.914 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.961 -8.333 -0.061 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.509 -9.553 -2.451 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.822 -9.055 -2.176 1.00 0.00 H new ATOM 0 HE3 MET A 30 -8.563 -10.299 -1.141 1.00 0.00 H new ATOM 455 N ALA A 31 -5.852 -6.901 2.423 1.00 0.00 N ATOM 456 CA ALA A 31 -5.565 -5.521 2.912 1.00 0.00 C ATOM 457 C ALA A 31 -5.635 -4.552 1.742 1.00 0.00 C ATOM 458 O ALA A 31 -5.061 -4.778 0.694 1.00 0.00 O ATOM 459 CB ALA A 31 -4.171 -5.475 3.531 1.00 0.00 C ATOM 0 H ALA A 31 -5.463 -7.116 1.505 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.301 -5.240 3.666 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.964 -4.466 3.887 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.121 -6.172 4.367 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.431 -5.754 2.781 1.00 0.00 H new ATOM 465 N LYS A 32 -6.347 -3.472 1.920 1.00 0.00 N ATOM 466 CA LYS A 32 -6.494 -2.459 0.833 1.00 0.00 C ATOM 467 C LYS A 32 -5.823 -1.156 1.242 1.00 0.00 C ATOM 468 O LYS A 32 -6.014 -0.651 2.329 1.00 0.00 O ATOM 469 CB LYS A 32 -7.987 -2.209 0.572 1.00 0.00 C ATOM 470 CG LYS A 32 -8.163 -1.659 -0.845 1.00 0.00 C ATOM 471 CD LYS A 32 -9.648 -1.522 -1.166 1.00 0.00 C ATOM 472 CE LYS A 32 -9.813 -1.007 -2.597 1.00 0.00 C ATOM 473 NZ LYS A 32 -11.264 -0.900 -2.918 1.00 0.00 N ATOM 0 H LYS A 32 -6.840 -3.245 2.784 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.019 -2.833 -0.074 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.549 -3.136 0.688 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.383 -1.502 1.301 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.672 -0.690 -0.932 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.686 -2.324 -1.565 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.146 -2.485 -1.055 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.121 -0.836 -0.464 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.333 -0.034 -2.703 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.323 -1.683 -3.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.380 -0.550 -3.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.709 -1.836 -2.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.718 -0.239 -2.256 1.00 0.00 H new ATOM 487 N PHE A 33 -5.041 -0.611 0.353 1.00 0.00 N ATOM 488 CA PHE A 33 -4.328 0.673 0.628 1.00 0.00 C ATOM 489 C PHE A 33 -4.823 1.734 -0.345 1.00 0.00 C ATOM 490 O PHE A 33 -4.911 1.511 -1.535 1.00 0.00 O ATOM 491 CB PHE A 33 -2.824 0.461 0.442 1.00 0.00 C ATOM 492 CG PHE A 33 -2.276 -0.302 1.625 1.00 0.00 C ATOM 493 CD1 PHE A 33 -2.382 -1.698 1.673 1.00 0.00 C ATOM 494 CD2 PHE A 33 -1.665 0.390 2.676 1.00 0.00 C ATOM 495 CE1 PHE A 33 -1.876 -2.399 2.774 1.00 0.00 C ATOM 496 CE2 PHE A 33 -1.158 -0.310 3.776 1.00 0.00 C ATOM 497 CZ PHE A 33 -1.262 -1.706 3.825 1.00 0.00 C ATOM 0 H PHE A 33 -4.861 -1.007 -0.570 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.523 0.998 1.650 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.634 -0.089 -0.480 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.319 1.422 0.349 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.853 -2.233 0.862 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.585 1.466 2.638 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.959 -3.475 2.813 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.687 0.226 4.587 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.869 -2.248 4.673 1.00 0.00 H new ATOM 507 N TYR A 34 -5.148 2.890 0.163 1.00 0.00 N ATOM 508 CA TYR A 34 -5.652 4.002 -0.704 1.00 0.00 C ATOM 509 C TYR A 34 -4.661 5.157 -0.658 1.00 0.00 C ATOM 510 O TYR A 34 -4.403 5.722 0.387 1.00 0.00 O ATOM 511 CB TYR A 34 -7.012 4.458 -0.177 1.00 0.00 C ATOM 512 CG TYR A 34 -7.604 5.477 -1.119 1.00 0.00 C ATOM 513 CD1 TYR A 34 -8.202 5.058 -2.316 1.00 0.00 C ATOM 514 CD2 TYR A 34 -7.557 6.839 -0.801 1.00 0.00 C ATOM 515 CE1 TYR A 34 -8.755 6.000 -3.189 1.00 0.00 C ATOM 516 CE2 TYR A 34 -8.110 7.782 -1.675 1.00 0.00 C ATOM 517 CZ TYR A 34 -8.707 7.363 -2.869 1.00 0.00 C ATOM 518 OH TYR A 34 -9.253 8.293 -3.730 1.00 0.00 O ATOM 0 H TYR A 34 -5.086 3.118 1.155 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.757 3.662 -1.734 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.682 3.603 -0.082 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.902 4.889 0.818 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.236 4.007 -2.564 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.094 7.163 0.119 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.219 5.677 -4.109 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.076 8.833 -1.428 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.136 9.192 -3.358 1.00 0.00 H new ATOM 528 N PHE A 35 -4.097 5.515 -1.789 1.00 0.00 N ATOM 529 CA PHE A 35 -3.107 6.641 -1.814 1.00 0.00 C ATOM 530 C PHE A 35 -3.716 7.857 -2.526 1.00 0.00 C ATOM 531 O PHE A 35 -4.088 7.819 -3.688 1.00 0.00 O ATOM 532 CB PHE A 35 -1.803 6.216 -2.527 1.00 0.00 C ATOM 533 CG PHE A 35 -1.117 5.019 -1.862 1.00 0.00 C ATOM 534 CD1 PHE A 35 -1.542 3.705 -2.133 1.00 0.00 C ATOM 535 CD2 PHE A 35 0.003 5.223 -1.038 1.00 0.00 C ATOM 536 CE1 PHE A 35 -0.861 2.613 -1.569 1.00 0.00 C ATOM 537 CE2 PHE A 35 0.688 4.130 -0.489 1.00 0.00 C ATOM 538 CZ PHE A 35 0.258 2.827 -0.756 1.00 0.00 C ATOM 0 H PHE A 35 -4.279 5.078 -2.693 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.865 6.906 -0.785 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -2.027 5.968 -3.564 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.113 7.060 -2.543 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.393 3.536 -2.776 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.338 6.228 -0.826 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.202 1.607 -1.763 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.549 4.295 0.141 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.789 1.986 -0.335 1.00 0.00 H new ATOM 548 N LEU A 36 -3.807 8.945 -1.803 1.00 0.00 N ATOM 549 CA LEU A 36 -4.370 10.213 -2.350 1.00 0.00 C ATOM 550 C LEU A 36 -3.234 11.151 -2.788 1.00 0.00 C ATOM 551 O LEU A 36 -2.474 11.661 -1.987 1.00 0.00 O ATOM 552 CB LEU A 36 -5.225 10.892 -1.264 1.00 0.00 C ATOM 553 CG LEU A 36 -5.906 12.143 -1.840 1.00 0.00 C ATOM 554 CD1 LEU A 36 -6.874 11.747 -2.972 1.00 0.00 C ATOM 555 CD2 LEU A 36 -6.680 12.860 -0.728 1.00 0.00 C ATOM 0 H LEU A 36 -3.506 9.006 -0.830 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.990 9.991 -3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.977 10.196 -0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.599 11.167 -0.415 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.144 12.810 -2.244 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.351 12.642 -3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.320 11.245 -3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.637 11.074 -2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.164 13.748 -1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.437 12.189 -0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.991 13.153 0.064 1.00 0.00 H new ATOM 567 N GLU A 37 -3.164 11.380 -4.073 1.00 0.00 N ATOM 568 CA GLU A 37 -2.140 12.289 -4.692 1.00 0.00 C ATOM 569 C GLU A 37 -0.709 11.961 -4.239 1.00 0.00 C ATOM 570 O GLU A 37 -0.118 12.696 -3.470 1.00 0.00 O ATOM 571 CB GLU A 37 -2.458 13.742 -4.338 1.00 0.00 C ATOM 572 CG GLU A 37 -3.745 14.173 -5.051 1.00 0.00 C ATOM 573 CD GLU A 37 -4.086 15.617 -4.669 1.00 0.00 C ATOM 574 OE1 GLU A 37 -3.379 16.508 -5.110 1.00 0.00 O ATOM 575 OE2 GLU A 37 -5.049 15.805 -3.946 1.00 0.00 O ATOM 0 H GLU A 37 -3.800 10.958 -4.750 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.188 12.137 -5.770 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.575 13.847 -3.259 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.632 14.389 -4.634 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.619 14.092 -6.131 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.565 13.510 -4.775 1.00 0.00 H new ATOM 582 N PRO A 38 -0.129 10.899 -4.748 1.00 0.00 N ATOM 583 CA PRO A 38 1.268 10.508 -4.419 1.00 0.00 C ATOM 584 C PRO A 38 2.276 11.295 -5.262 1.00 0.00 C ATOM 585 O PRO A 38 3.433 10.939 -5.351 1.00 0.00 O ATOM 586 CB PRO A 38 1.335 8.996 -4.738 1.00 0.00 C ATOM 587 CG PRO A 38 0.021 8.638 -5.401 1.00 0.00 C ATOM 588 CD PRO A 38 -0.735 9.948 -5.680 1.00 0.00 C ATOM 0 HA PRO A 38 1.521 10.721 -3.380 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.175 8.775 -5.397 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.482 8.414 -3.828 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.197 8.093 -6.328 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.568 7.987 -4.755 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.614 10.268 -6.715 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.805 9.839 -5.503 1.00 0.00 H new ATOM 596 N THR A 39 1.822 12.354 -5.877 1.00 0.00 N ATOM 597 CA THR A 39 2.709 13.193 -6.733 1.00 0.00 C ATOM 598 C THR A 39 3.656 12.300 -7.537 1.00 0.00 C ATOM 599 O THR A 39 4.703 12.727 -7.976 1.00 0.00 O ATOM 600 CB THR A 39 3.515 14.145 -5.841 1.00 0.00 C ATOM 601 OG1 THR A 39 4.634 13.456 -5.304 1.00 0.00 O ATOM 602 CG2 THR A 39 2.630 14.656 -4.701 1.00 0.00 C ATOM 0 H THR A 39 0.857 12.678 -5.821 1.00 0.00 H new ATOM 0 HA THR A 39 2.102 13.773 -7.428 1.00 0.00 H new ATOM 0 HB THR A 39 3.861 14.992 -6.434 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.380 12.533 -5.093 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.205 15.332 -4.069 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.773 15.188 -5.116 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.280 13.812 -4.106 1.00 0.00 H new ATOM 610 N ILE A 40 3.288 11.059 -7.731 1.00 0.00 N ATOM 611 CA ILE A 40 4.158 10.125 -8.506 1.00 0.00 C ATOM 612 C ILE A 40 3.731 10.152 -9.975 1.00 0.00 C ATOM 613 O ILE A 40 4.317 9.497 -10.812 1.00 0.00 O ATOM 614 CB ILE A 40 4.021 8.699 -7.939 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.065 7.785 -8.597 1.00 0.00 C ATOM 616 CG2 ILE A 40 2.616 8.147 -8.210 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.246 6.513 -7.765 1.00 0.00 C ATOM 0 H ILE A 40 2.419 10.652 -7.385 1.00 0.00 H new ATOM 0 HA ILE A 40 5.200 10.435 -8.426 1.00 0.00 H new ATOM 0 HB ILE A 40 4.184 8.732 -6.862 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.749 7.526 -9.608 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.016 8.310 -8.685 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.536 7.139 -7.803 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.875 8.790 -7.735 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.437 8.119 -9.285 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.988 5.871 -8.239 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.583 6.779 -6.763 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.296 5.983 -7.700 1.00 0.00 H new ATOM 629 N LEU A 41 2.718 10.916 -10.291 1.00 0.00 N ATOM 630 CA LEU A 41 2.248 11.002 -11.706 1.00 0.00 C ATOM 631 C LEU A 41 3.097 12.039 -12.439 1.00 0.00 C ATOM 632 O LEU A 41 3.019 12.182 -13.642 1.00 0.00 O ATOM 633 CB LEU A 41 0.779 11.446 -11.730 1.00 0.00 C ATOM 634 CG LEU A 41 -0.072 10.472 -10.905 1.00 0.00 C ATOM 635 CD1 LEU A 41 -1.528 10.950 -10.891 1.00 0.00 C ATOM 636 CD2 LEU A 41 -0.003 9.067 -11.526 1.00 0.00 C ATOM 0 H LEU A 41 2.194 11.486 -9.627 1.00 0.00 H new ATOM 0 HA LEU A 41 2.341 10.029 -12.189 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.688 12.454 -11.327 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.416 11.480 -12.757 1.00 0.00 H new ATOM 0 HG LEU A 41 0.311 10.436 -9.885 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.133 10.258 -10.305 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.580 11.944 -10.446 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.908 10.989 -11.912 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.609 8.379 -10.937 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.383 9.102 -12.547 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.031 8.724 -11.535 1.00 0.00 H new ATOM 648 N ALA A 42 3.914 12.757 -11.717 1.00 0.00 N ATOM 649 CA ALA A 42 4.791 13.789 -12.348 1.00 0.00 C ATOM 650 C ALA A 42 6.167 13.179 -12.602 1.00 0.00 C ATOM 651 O ALA A 42 6.942 13.682 -13.389 1.00 0.00 O ATOM 652 CB ALA A 42 4.937 14.980 -11.394 1.00 0.00 C ATOM 0 H ALA A 42 4.013 12.673 -10.705 1.00 0.00 H new ATOM 0 HA ALA A 42 4.353 14.124 -13.288 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.576 15.736 -11.851 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.955 15.408 -11.194 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.384 14.644 -10.458 1.00 0.00 H new ATOM 658 N LYS A 43 6.475 12.094 -11.937 1.00 0.00 N ATOM 659 CA LYS A 43 7.804 11.433 -12.124 1.00 0.00 C ATOM 660 C LYS A 43 7.606 10.133 -12.902 1.00 0.00 C ATOM 661 O LYS A 43 8.433 9.748 -13.703 1.00 0.00 O ATOM 662 CB LYS A 43 8.404 11.107 -10.753 1.00 0.00 C ATOM 663 CG LYS A 43 9.847 10.634 -10.934 1.00 0.00 C ATOM 664 CD LYS A 43 10.481 10.371 -9.566 1.00 0.00 C ATOM 665 CE LYS A 43 11.933 9.924 -9.747 1.00 0.00 C ATOM 666 NZ LYS A 43 12.553 9.698 -8.410 1.00 0.00 N ATOM 0 H LYS A 43 5.858 11.634 -11.267 1.00 0.00 H new ATOM 0 HA LYS A 43 8.473 12.098 -12.670 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.375 11.988 -10.112 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.815 10.334 -10.260 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.869 9.726 -11.536 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.422 11.387 -11.473 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.442 11.274 -8.957 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.918 9.604 -9.035 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.972 9.009 -10.337 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.492 10.682 -10.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.540 9.394 -8.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.528 10.581 -7.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.024 8.961 -7.902 1.00 0.00 H new ATOM 680 N GLU A 44 6.510 9.456 -12.676 1.00 0.00 N ATOM 681 CA GLU A 44 6.241 8.175 -13.402 1.00 0.00 C ATOM 682 C GLU A 44 4.754 8.060 -13.726 1.00 0.00 C ATOM 683 O GLU A 44 3.897 8.423 -12.943 1.00 0.00 O ATOM 684 CB GLU A 44 6.664 6.988 -12.535 1.00 0.00 C ATOM 685 CG GLU A 44 8.189 6.957 -12.437 1.00 0.00 C ATOM 686 CD GLU A 44 8.631 5.788 -11.555 1.00 0.00 C ATOM 687 OE1 GLU A 44 7.769 5.077 -11.069 1.00 0.00 O ATOM 688 OE2 GLU A 44 9.828 5.625 -11.382 1.00 0.00 O ATOM 0 H GLU A 44 5.784 9.736 -12.016 1.00 0.00 H new ATOM 0 HA GLU A 44 6.813 8.170 -14.330 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.225 7.074 -11.541 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.296 6.057 -12.967 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.624 6.858 -13.432 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.554 7.896 -12.021 1.00 0.00 H new ATOM 695 N SER A 45 4.452 7.550 -14.886 1.00 0.00 N ATOM 696 CA SER A 45 3.034 7.391 -15.309 1.00 0.00 C ATOM 697 C SER A 45 2.421 6.174 -14.625 1.00 0.00 C ATOM 698 O SER A 45 3.104 5.360 -14.038 1.00 0.00 O ATOM 699 CB SER A 45 2.971 7.206 -16.826 1.00 0.00 C ATOM 700 OG SER A 45 1.637 6.890 -17.202 1.00 0.00 O ATOM 0 H SER A 45 5.139 7.232 -15.570 1.00 0.00 H new ATOM 0 HA SER A 45 2.475 8.282 -15.025 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.298 8.116 -17.329 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.648 6.410 -17.136 1.00 0.00 H new ATOM 0 HG SER A 45 1.590 6.772 -18.174 1.00 0.00 H new ATOM 706 N THR A 46 1.126 6.059 -14.698 1.00 0.00 N ATOM 707 CA THR A 46 0.423 4.914 -14.057 1.00 0.00 C ATOM 708 C THR A 46 0.846 3.616 -14.742 1.00 0.00 C ATOM 709 O THR A 46 0.908 2.571 -14.128 1.00 0.00 O ATOM 710 CB THR A 46 -1.092 5.102 -14.211 1.00 0.00 C ATOM 711 OG1 THR A 46 -1.420 5.211 -15.592 1.00 0.00 O ATOM 712 CG2 THR A 46 -1.526 6.375 -13.483 1.00 0.00 C ATOM 0 H THR A 46 0.516 6.719 -15.181 1.00 0.00 H new ATOM 0 HA THR A 46 0.680 4.869 -12.999 1.00 0.00 H new ATOM 0 HB THR A 46 -1.608 4.244 -13.781 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.388 5.329 -15.690 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.602 6.508 -13.593 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.277 6.292 -12.425 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.009 7.233 -13.911 1.00 0.00 H new ATOM 720 N ASP A 47 1.132 3.685 -16.012 1.00 0.00 N ATOM 721 CA ASP A 47 1.551 2.470 -16.765 1.00 0.00 C ATOM 722 C ASP A 47 2.913 1.997 -16.253 1.00 0.00 C ATOM 723 O ASP A 47 3.186 0.814 -16.200 1.00 0.00 O ATOM 724 CB ASP A 47 1.657 2.812 -18.256 1.00 0.00 C ATOM 725 CG ASP A 47 1.808 1.523 -19.066 1.00 0.00 C ATOM 726 OD1 ASP A 47 0.886 0.726 -19.050 1.00 0.00 O ATOM 727 OD2 ASP A 47 2.845 1.355 -19.688 1.00 0.00 O ATOM 0 H ASP A 47 1.093 4.540 -16.566 1.00 0.00 H new ATOM 0 HA ASP A 47 0.815 1.679 -16.622 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.769 3.355 -18.579 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.512 3.466 -18.430 1.00 0.00 H new ATOM 732 N ASP A 48 3.768 2.915 -15.890 1.00 0.00 N ATOM 733 CA ASP A 48 5.122 2.533 -15.390 1.00 0.00 C ATOM 734 C ASP A 48 4.983 1.873 -14.019 1.00 0.00 C ATOM 735 O ASP A 48 5.869 1.177 -13.565 1.00 0.00 O ATOM 736 CB ASP A 48 5.998 3.788 -15.257 1.00 0.00 C ATOM 737 CG ASP A 48 6.381 4.308 -16.645 1.00 0.00 C ATOM 738 OD1 ASP A 48 6.177 3.583 -17.607 1.00 0.00 O ATOM 739 OD2 ASP A 48 6.879 5.419 -16.723 1.00 0.00 O ATOM 0 H ASP A 48 3.587 3.918 -15.918 1.00 0.00 H new ATOM 0 HA ASP A 48 5.585 1.840 -16.092 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.461 4.560 -14.706 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.897 3.555 -14.686 1.00 0.00 H new ATOM 744 N ILE A 49 3.876 2.085 -13.358 1.00 0.00 N ATOM 745 CA ILE A 49 3.667 1.471 -12.011 1.00 0.00 C ATOM 746 C ILE A 49 2.963 0.125 -12.167 1.00 0.00 C ATOM 747 O ILE A 49 1.906 0.023 -12.757 1.00 0.00 O ATOM 748 CB ILE A 49 2.822 2.407 -11.138 1.00 0.00 C ATOM 749 CG1 ILE A 49 3.609 3.697 -10.872 1.00 0.00 C ATOM 750 CG2 ILE A 49 2.513 1.718 -9.807 1.00 0.00 C ATOM 751 CD1 ILE A 49 2.704 4.729 -10.195 1.00 0.00 C ATOM 0 H ILE A 49 3.103 2.660 -13.694 1.00 0.00 H new ATOM 0 HA ILE A 49 4.633 1.316 -11.530 1.00 0.00 H new ATOM 0 HB ILE A 49 1.890 2.645 -11.651 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.470 3.484 -10.238 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.995 4.098 -11.809 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.912 2.381 -9.185 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.961 0.797 -9.994 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.445 1.484 -9.293 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.269 5.642 -10.009 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.857 4.952 -10.844 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.340 4.329 -9.249 1.00 0.00 H new ATOM 763 N THR A 50 3.558 -0.911 -11.641 1.00 0.00 N ATOM 764 CA THR A 50 2.960 -2.277 -11.737 1.00 0.00 C ATOM 765 C THR A 50 3.222 -3.022 -10.426 1.00 0.00 C ATOM 766 O THR A 50 3.037 -4.220 -10.331 1.00 0.00 O ATOM 767 CB THR A 50 3.596 -3.037 -12.906 1.00 0.00 C ATOM 768 OG1 THR A 50 3.495 -4.434 -12.672 1.00 0.00 O ATOM 769 CG2 THR A 50 5.072 -2.647 -13.049 1.00 0.00 C ATOM 0 H THR A 50 4.446 -0.870 -11.141 1.00 0.00 H new ATOM 0 HA THR A 50 1.886 -2.202 -11.909 1.00 0.00 H new ATOM 0 HB THR A 50 3.071 -2.780 -13.826 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.813 -4.603 -11.989 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.514 -3.193 -13.883 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.149 -1.576 -13.236 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.604 -2.894 -12.131 1.00 0.00 H new ATOM 777 N GLY A 51 3.645 -2.318 -9.412 1.00 0.00 N ATOM 778 CA GLY A 51 3.915 -2.970 -8.098 1.00 0.00 C ATOM 779 C GLY A 51 4.245 -1.911 -7.049 1.00 0.00 C ATOM 780 O GLY A 51 4.351 -0.734 -7.340 1.00 0.00 O ATOM 0 H GLY A 51 3.816 -1.313 -9.437 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.045 -3.547 -7.783 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.745 -3.670 -8.194 1.00 0.00 H new ATOM 784 N MET A 52 4.408 -2.331 -5.828 1.00 0.00 N ATOM 785 CA MET A 52 4.736 -1.379 -4.728 1.00 0.00 C ATOM 786 C MET A 52 5.817 -1.984 -3.839 1.00 0.00 C ATOM 787 O MET A 52 5.858 -3.178 -3.608 1.00 0.00 O ATOM 788 CB MET A 52 3.484 -1.104 -3.893 1.00 0.00 C ATOM 789 CG MET A 52 3.729 0.115 -2.991 1.00 0.00 C ATOM 790 SD MET A 52 2.721 -0.024 -1.496 1.00 0.00 S ATOM 791 CE MET A 52 1.118 -0.203 -2.311 1.00 0.00 C ATOM 0 H MET A 52 4.327 -3.306 -5.539 1.00 0.00 H new ATOM 0 HA MET A 52 5.096 -0.443 -5.156 1.00 0.00 H new ATOM 0 HB2 MET A 52 2.631 -0.921 -4.546 1.00 0.00 H new ATOM 0 HB3 MET A 52 3.240 -1.976 -3.286 1.00 0.00 H new ATOM 0 HG2 MET A 52 4.784 0.177 -2.726 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.480 1.032 -3.526 1.00 0.00 H new ATOM 0 HE1 MET A 52 0.321 -0.022 -1.590 1.00 0.00 H new ATOM 0 HE2 MET A 52 1.041 0.517 -3.125 1.00 0.00 H new ATOM 0 HE3 MET A 52 1.023 -1.213 -2.710 1.00 0.00 H new ATOM 801 N TYR A 53 6.694 -1.155 -3.340 1.00 0.00 N ATOM 802 CA TYR A 53 7.803 -1.637 -2.458 1.00 0.00 C ATOM 803 C TYR A 53 7.555 -1.190 -1.021 1.00 0.00 C ATOM 804 O TYR A 53 7.592 -0.017 -0.696 1.00 0.00 O ATOM 805 CB TYR A 53 9.132 -1.063 -2.956 1.00 0.00 C ATOM 806 CG TYR A 53 9.467 -1.669 -4.299 1.00 0.00 C ATOM 807 CD1 TYR A 53 8.957 -1.104 -5.473 1.00 0.00 C ATOM 808 CD2 TYR A 53 10.291 -2.799 -4.367 1.00 0.00 C ATOM 809 CE1 TYR A 53 9.268 -1.669 -6.716 1.00 0.00 C ATOM 810 CE2 TYR A 53 10.604 -3.364 -5.610 1.00 0.00 C ATOM 811 CZ TYR A 53 10.093 -2.798 -6.784 1.00 0.00 C ATOM 812 OH TYR A 53 10.401 -3.354 -8.009 1.00 0.00 O ATOM 0 H TYR A 53 6.691 -0.149 -3.507 1.00 0.00 H new ATOM 0 HA TYR A 53 7.842 -2.726 -2.488 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.064 0.022 -3.041 1.00 0.00 H new ATOM 0 HB3 TYR A 53 9.925 -1.278 -2.240 1.00 0.00 H new ATOM 0 HD1 TYR A 53 8.323 -0.231 -5.421 1.00 0.00 H new ATOM 0 HD2 TYR A 53 10.685 -3.235 -3.461 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.872 -1.234 -7.622 1.00 0.00 H new ATOM 0 HE2 TYR A 53 11.239 -4.236 -5.663 1.00 0.00 H new ATOM 0 HH TYR A 53 10.984 -4.131 -7.878 1.00 0.00 H new ATOM 822 N LEU A 54 7.307 -2.137 -0.160 1.00 0.00 N ATOM 823 CA LEU A 54 7.054 -1.828 1.279 1.00 0.00 C ATOM 824 C LEU A 54 8.356 -1.967 2.062 1.00 0.00 C ATOM 825 O LEU A 54 8.910 -3.040 2.187 1.00 0.00 O ATOM 826 CB LEU A 54 6.012 -2.806 1.829 1.00 0.00 C ATOM 827 CG LEU A 54 4.744 -2.743 0.968 1.00 0.00 C ATOM 828 CD1 LEU A 54 3.723 -3.762 1.486 1.00 0.00 C ATOM 829 CD2 LEU A 54 4.139 -1.332 1.038 1.00 0.00 C ATOM 0 H LEU A 54 7.268 -3.129 -0.395 1.00 0.00 H new ATOM 0 HA LEU A 54 6.681 -0.808 1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.414 -3.819 1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.775 -2.557 2.863 1.00 0.00 H new ATOM 0 HG LEU A 54 4.999 -2.975 -0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.822 -3.717 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.149 -4.764 1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.471 -3.531 2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.239 -1.291 0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.886 -1.096 2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.863 -0.607 0.667 1.00 0.00 H new ATOM 841 N ILE A 55 8.841 -0.876 2.592 1.00 0.00 N ATOM 842 CA ILE A 55 10.113 -0.906 3.377 1.00 0.00 C ATOM 843 C ILE A 55 9.787 -0.939 4.869 1.00 0.00 C ATOM 844 O ILE A 55 9.336 0.030 5.447 1.00 0.00 O ATOM 845 CB ILE A 55 10.939 0.348 3.057 1.00 0.00 C ATOM 846 CG1 ILE A 55 11.446 0.274 1.609 1.00 0.00 C ATOM 847 CG2 ILE A 55 12.135 0.428 4.008 1.00 0.00 C ATOM 848 CD1 ILE A 55 10.268 0.342 0.627 1.00 0.00 C ATOM 0 H ILE A 55 8.407 0.044 2.515 1.00 0.00 H new ATOM 0 HA ILE A 55 10.686 -1.794 3.112 1.00 0.00 H new ATOM 0 HB ILE A 55 10.314 1.233 3.180 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.137 1.095 1.416 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.001 -0.652 1.458 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.722 1.318 3.781 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.779 0.481 5.037 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.758 -0.458 3.885 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.643 0.288 -0.395 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.593 -0.494 0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.731 1.280 0.768 1.00 0.00 H new ATOM 860 N ASP A 56 10.033 -2.058 5.490 1.00 0.00 N ATOM 861 CA ASP A 56 9.765 -2.204 6.949 1.00 0.00 C ATOM 862 C ASP A 56 11.000 -1.771 7.738 1.00 0.00 C ATOM 863 O ASP A 56 11.136 -0.630 8.129 1.00 0.00 O ATOM 864 CB ASP A 56 9.466 -3.671 7.270 1.00 0.00 C ATOM 865 CG ASP A 56 8.095 -4.053 6.708 1.00 0.00 C ATOM 866 OD1 ASP A 56 7.372 -3.157 6.307 1.00 0.00 O ATOM 867 OD2 ASP A 56 7.797 -5.236 6.681 1.00 0.00 O ATOM 0 H ASP A 56 10.414 -2.891 5.042 1.00 0.00 H new ATOM 0 HA ASP A 56 8.912 -1.583 7.221 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.237 -4.311 6.841 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.484 -3.828 8.348 1.00 0.00 H new ATOM 872 N ASP A 57 11.903 -2.685 7.971 1.00 0.00 N ATOM 873 CA ASP A 57 13.144 -2.355 8.732 1.00 0.00 C ATOM 874 C ASP A 57 14.220 -3.404 8.424 1.00 0.00 C ATOM 875 O ASP A 57 15.265 -3.093 7.891 1.00 0.00 O ATOM 876 CB ASP A 57 12.849 -2.359 10.238 1.00 0.00 C ATOM 877 CG ASP A 57 12.018 -1.128 10.609 1.00 0.00 C ATOM 878 OD1 ASP A 57 12.310 -0.061 10.092 1.00 0.00 O ATOM 879 OD2 ASP A 57 11.107 -1.271 11.409 1.00 0.00 O ATOM 0 H ASP A 57 11.834 -3.655 7.664 1.00 0.00 H new ATOM 0 HA ASP A 57 13.495 -1.366 8.437 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.311 -3.267 10.510 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.783 -2.361 10.800 1.00 0.00 H new ATOM 884 N GLU A 58 13.973 -4.649 8.759 1.00 0.00 N ATOM 885 CA GLU A 58 14.976 -5.731 8.493 1.00 0.00 C ATOM 886 C GLU A 58 14.505 -6.548 7.289 1.00 0.00 C ATOM 887 O GLU A 58 15.001 -7.623 7.018 1.00 0.00 O ATOM 888 CB GLU A 58 15.100 -6.637 9.728 1.00 0.00 C ATOM 889 CG GLU A 58 15.656 -5.829 10.909 1.00 0.00 C ATOM 890 CD GLU A 58 17.078 -5.350 10.596 1.00 0.00 C ATOM 891 OE1 GLU A 58 17.702 -5.932 9.724 1.00 0.00 O ATOM 892 OE2 GLU A 58 17.515 -4.406 11.234 1.00 0.00 O ATOM 0 H GLU A 58 13.113 -4.964 9.209 1.00 0.00 H new ATOM 0 HA GLU A 58 15.952 -5.293 8.282 1.00 0.00 H new ATOM 0 HB2 GLU A 58 14.126 -7.052 9.986 1.00 0.00 H new ATOM 0 HB3 GLU A 58 15.757 -7.479 9.509 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.012 -4.973 11.110 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.661 -6.443 11.810 1.00 0.00 H new ATOM 899 N GLY A 59 13.549 -6.030 6.568 1.00 0.00 N ATOM 900 CA GLY A 59 13.026 -6.749 5.370 1.00 0.00 C ATOM 901 C GLY A 59 12.056 -5.848 4.608 1.00 0.00 C ATOM 902 O GLY A 59 11.717 -4.763 5.038 1.00 0.00 O ATOM 0 H GLY A 59 13.104 -5.132 6.758 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.851 -7.041 4.721 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.521 -7.665 5.676 1.00 0.00 H new ATOM 906 N GLU A 60 11.610 -6.301 3.468 1.00 0.00 N ATOM 907 CA GLU A 60 10.658 -5.499 2.643 1.00 0.00 C ATOM 908 C GLU A 60 9.722 -6.431 1.881 1.00 0.00 C ATOM 909 O GLU A 60 10.086 -7.524 1.500 1.00 0.00 O ATOM 910 CB GLU A 60 11.436 -4.623 1.654 1.00 0.00 C ATOM 911 CG GLU A 60 12.283 -5.495 0.716 1.00 0.00 C ATOM 912 CD GLU A 60 13.087 -4.595 -0.231 1.00 0.00 C ATOM 913 OE1 GLU A 60 12.593 -3.533 -0.573 1.00 0.00 O ATOM 914 OE2 GLU A 60 14.180 -4.990 -0.603 1.00 0.00 O ATOM 0 H GLU A 60 11.867 -7.203 3.067 1.00 0.00 H new ATOM 0 HA GLU A 60 10.069 -4.859 3.300 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.742 -4.018 1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.080 -3.933 2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.957 -6.124 1.297 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.640 -6.162 0.142 1.00 0.00 H new ATOM 921 N ILE A 61 8.510 -5.992 1.664 1.00 0.00 N ATOM 922 CA ILE A 61 7.502 -6.824 0.932 1.00 0.00 C ATOM 923 C ILE A 61 7.113 -6.133 -0.366 1.00 0.00 C ATOM 924 O ILE A 61 6.809 -4.957 -0.396 1.00 0.00 O ATOM 925 CB ILE A 61 6.255 -7.019 1.798 1.00 0.00 C ATOM 926 CG1 ILE A 61 6.641 -7.748 3.108 1.00 0.00 C ATOM 927 CG2 ILE A 61 5.241 -7.859 1.018 1.00 0.00 C ATOM 928 CD1 ILE A 61 6.938 -6.724 4.209 1.00 0.00 C ATOM 0 H ILE A 61 8.169 -5.080 1.966 1.00 0.00 H new ATOM 0 HA ILE A 61 7.940 -7.797 0.710 1.00 0.00 H new ATOM 0 HB ILE A 61 5.820 -6.051 2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.830 -8.406 3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.515 -8.377 2.940 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.347 -8.006 1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.974 -7.343 0.096 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.679 -8.828 0.778 1.00 0.00 H new ATOM 0 HD11 ILE A 61 7.209 -7.245 5.127 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.764 -6.084 3.898 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.053 -6.113 4.386 1.00 0.00 H new ATOM 940 N ILE A 62 7.132 -6.873 -1.438 1.00 0.00 N ATOM 941 CA ILE A 62 6.777 -6.315 -2.778 1.00 0.00 C ATOM 942 C ILE A 62 5.517 -6.992 -3.290 1.00 0.00 C ATOM 943 O ILE A 62 5.396 -8.200 -3.278 1.00 0.00 O ATOM 944 CB ILE A 62 7.925 -6.570 -3.761 1.00 0.00 C ATOM 945 CG1 ILE A 62 9.184 -5.790 -3.313 1.00 0.00 C ATOM 946 CG2 ILE A 62 7.503 -6.107 -5.158 1.00 0.00 C ATOM 947 CD1 ILE A 62 10.006 -6.628 -2.324 1.00 0.00 C ATOM 0 H ILE A 62 7.383 -7.862 -1.445 1.00 0.00 H new ATOM 0 HA ILE A 62 6.606 -5.242 -2.689 1.00 0.00 H new ATOM 0 HB ILE A 62 8.156 -7.635 -3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.793 -5.539 -4.182 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.891 -4.849 -2.847 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.316 -6.286 -5.862 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.620 -6.663 -5.474 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.272 -5.042 -5.134 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.889 -6.067 -2.017 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.399 -6.856 -1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.315 -7.557 -2.803 1.00 0.00 H new ATOM 959 N THR A 63 4.579 -6.207 -3.741 1.00 0.00 N ATOM 960 CA THR A 63 3.293 -6.761 -4.268 1.00 0.00 C ATOM 961 C THR A 63 3.045 -6.247 -5.682 1.00 0.00 C ATOM 962 O THR A 63 3.138 -5.068 -5.961 1.00 0.00 O ATOM 963 CB THR A 63 2.142 -6.333 -3.358 1.00 0.00 C ATOM 964 OG1 THR A 63 0.913 -6.690 -3.973 1.00 0.00 O ATOM 965 CG2 THR A 63 2.179 -4.818 -3.130 1.00 0.00 C ATOM 0 H THR A 63 4.647 -5.190 -3.769 1.00 0.00 H new ATOM 0 HA THR A 63 3.355 -7.849 -4.290 1.00 0.00 H new ATOM 0 HB THR A 63 2.239 -6.834 -2.395 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.168 -6.421 -3.396 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.353 -4.528 -2.480 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.124 -4.544 -2.661 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.086 -4.304 -4.087 1.00 0.00 H new ATOM 973 N ARG A 64 2.726 -7.143 -6.573 1.00 0.00 N ATOM 974 CA ARG A 64 2.457 -6.755 -7.985 1.00 0.00 C ATOM 975 C ARG A 64 0.958 -6.505 -8.149 1.00 0.00 C ATOM 976 O ARG A 64 0.474 -6.230 -9.228 1.00 0.00 O ATOM 977 CB ARG A 64 2.899 -7.897 -8.917 1.00 0.00 C ATOM 978 CG ARG A 64 3.131 -7.342 -10.336 1.00 0.00 C ATOM 979 CD ARG A 64 4.578 -6.837 -10.464 1.00 0.00 C ATOM 980 NE ARG A 64 5.518 -7.982 -10.282 1.00 0.00 N ATOM 981 CZ ARG A 64 6.788 -7.769 -10.034 1.00 0.00 C ATOM 982 NH1 ARG A 64 7.254 -6.549 -9.940 1.00 0.00 N ATOM 983 NH2 ARG A 64 7.594 -8.782 -9.880 1.00 0.00 N ATOM 0 H ARG A 64 2.639 -8.141 -6.380 1.00 0.00 H new ATOM 0 HA ARG A 64 3.010 -5.850 -8.239 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.814 -8.355 -8.540 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.138 -8.677 -8.940 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.940 -8.119 -11.077 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.433 -6.530 -10.538 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.730 -6.378 -11.441 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.774 -6.068 -9.717 1.00 0.00 H new ATOM 0 HE ARG A 64 5.170 -8.938 -10.351 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.627 -5.753 -10.060 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.244 -6.395 -9.747 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.236 -9.734 -9.953 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.583 -8.622 -9.687 1.00 0.00 H new ATOM 997 N GLU A 65 0.224 -6.593 -7.072 1.00 0.00 N ATOM 998 CA GLU A 65 -1.248 -6.355 -7.132 1.00 0.00 C ATOM 999 C GLU A 65 -1.516 -4.878 -6.877 1.00 0.00 C ATOM 1000 O GLU A 65 -1.985 -4.490 -5.827 1.00 0.00 O ATOM 1001 CB GLU A 65 -1.952 -7.204 -6.068 1.00 0.00 C ATOM 1002 CG GLU A 65 -1.792 -8.693 -6.403 1.00 0.00 C ATOM 1003 CD GLU A 65 -2.503 -9.012 -7.724 1.00 0.00 C ATOM 1004 OE1 GLU A 65 -3.349 -8.230 -8.126 1.00 0.00 O ATOM 1005 OE2 GLU A 65 -2.185 -10.033 -8.308 1.00 0.00 O ATOM 0 H GLU A 65 0.584 -6.821 -6.145 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.630 -6.634 -8.114 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.530 -6.995 -5.085 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.009 -6.943 -6.023 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.734 -8.946 -6.479 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.208 -9.302 -5.600 1.00 0.00 H new ATOM 1012 N VAL A 66 -1.208 -4.054 -7.842 1.00 0.00 N ATOM 1013 CA VAL A 66 -1.426 -2.582 -7.697 1.00 0.00 C ATOM 1014 C VAL A 66 -2.297 -2.080 -8.845 1.00 0.00 C ATOM 1015 O VAL A 66 -2.074 -2.389 -10.000 1.00 0.00 O ATOM 1016 CB VAL A 66 -0.075 -1.866 -7.721 1.00 0.00 C ATOM 1017 CG1 VAL A 66 -0.297 -0.353 -7.814 1.00 0.00 C ATOM 1018 CG2 VAL A 66 0.685 -2.192 -6.433 1.00 0.00 C ATOM 0 H VAL A 66 -0.810 -4.340 -8.736 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.927 -2.377 -6.751 1.00 0.00 H new ATOM 0 HB VAL A 66 0.502 -2.198 -8.584 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.667 0.156 -7.831 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.846 -0.121 -8.727 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.870 -0.016 -6.950 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.650 -1.685 -6.442 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.106 -1.855 -5.573 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.841 -3.269 -6.365 1.00 0.00 H new ATOM 1028 N LYS A 67 -3.290 -1.298 -8.521 1.00 0.00 N ATOM 1029 CA LYS A 67 -4.208 -0.742 -9.560 1.00 0.00 C ATOM 1030 C LYS A 67 -4.426 0.750 -9.318 1.00 0.00 C ATOM 1031 O LYS A 67 -4.506 1.211 -8.196 1.00 0.00 O ATOM 1032 CB LYS A 67 -5.544 -1.471 -9.497 1.00 0.00 C ATOM 1033 CG LYS A 67 -5.349 -2.924 -9.931 1.00 0.00 C ATOM 1034 CD LYS A 67 -6.671 -3.690 -9.780 1.00 0.00 C ATOM 1035 CE LYS A 67 -7.611 -3.340 -10.940 1.00 0.00 C ATOM 1036 NZ LYS A 67 -8.745 -4.299 -10.967 1.00 0.00 N ATOM 0 H LYS A 67 -3.509 -1.016 -7.566 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.762 -0.881 -10.545 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.944 -1.433 -8.484 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.270 -0.980 -10.145 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.011 -2.962 -10.967 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.574 -3.394 -9.326 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.480 -4.763 -9.766 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.142 -3.437 -8.830 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.984 -2.322 -10.825 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.069 -3.376 -11.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.382 -4.061 -11.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.380 -5.264 -11.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.268 -4.244 -10.070 1.00 0.00 H new ATOM 1050 N GLY A 68 -4.515 1.499 -10.380 1.00 0.00 N ATOM 1051 CA GLY A 68 -4.715 2.972 -10.272 1.00 0.00 C ATOM 1052 C GLY A 68 -6.199 3.310 -10.219 1.00 0.00 C ATOM 1053 O GLY A 68 -7.028 2.625 -10.785 1.00 0.00 O ATOM 0 H GLY A 68 -4.457 1.147 -11.336 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.219 3.347 -9.377 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.253 3.470 -11.124 1.00 0.00 H new ATOM 1057 N LYS A 69 -6.529 4.381 -9.547 1.00 0.00 N ATOM 1058 CA LYS A 69 -7.955 4.817 -9.437 1.00 0.00 C ATOM 1059 C LYS A 69 -8.164 6.093 -10.240 1.00 0.00 C ATOM 1060 O LYS A 69 -7.420 7.055 -10.130 1.00 0.00 O ATOM 1061 CB LYS A 69 -8.294 5.067 -7.963 1.00 0.00 C ATOM 1062 CG LYS A 69 -8.544 3.724 -7.258 1.00 0.00 C ATOM 1063 CD LYS A 69 -10.015 3.321 -7.427 1.00 0.00 C ATOM 1064 CE LYS A 69 -10.262 1.984 -6.737 1.00 0.00 C ATOM 1065 NZ LYS A 69 -10.064 2.140 -5.269 1.00 0.00 N ATOM 0 H LYS A 69 -5.862 4.982 -9.062 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.608 4.039 -9.832 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.476 5.598 -7.476 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.177 5.701 -7.885 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.895 2.955 -7.677 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.298 3.806 -6.199 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.663 4.087 -7.001 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.263 3.246 -8.486 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.275 1.637 -6.944 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.580 1.229 -7.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.132 1.210 -4.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.125 2.549 -5.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.797 2.771 -4.885 1.00 0.00 H new ATOM 1079 N PHE A 70 -9.190 6.094 -11.049 1.00 0.00 N ATOM 1080 CA PHE A 70 -9.504 7.278 -11.899 1.00 0.00 C ATOM 1081 C PHE A 70 -10.613 8.093 -11.257 1.00 0.00 C ATOM 1082 O PHE A 70 -11.679 7.595 -10.960 1.00 0.00 O ATOM 1083 CB PHE A 70 -9.961 6.811 -13.285 1.00 0.00 C ATOM 1084 CG PHE A 70 -8.895 5.938 -13.907 1.00 0.00 C ATOM 1085 CD1 PHE A 70 -7.774 6.524 -14.509 1.00 0.00 C ATOM 1086 CD2 PHE A 70 -9.028 4.544 -13.883 1.00 0.00 C ATOM 1087 CE1 PHE A 70 -6.789 5.715 -15.087 1.00 0.00 C ATOM 1088 CE2 PHE A 70 -8.042 3.735 -14.462 1.00 0.00 C ATOM 1089 CZ PHE A 70 -6.921 4.321 -15.061 1.00 0.00 C ATOM 0 H PHE A 70 -9.834 5.311 -11.158 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.609 7.893 -11.996 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.896 6.257 -13.202 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -10.157 7.673 -13.923 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.670 7.599 -14.527 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -9.892 4.092 -13.418 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.926 6.166 -15.554 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.147 2.660 -14.446 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.158 3.698 -15.503 1.00 0.00 H new ATOM 1099 N ILE A 71 -10.359 9.357 -11.053 1.00 0.00 N ATOM 1100 CA ILE A 71 -11.375 10.262 -10.440 1.00 0.00 C ATOM 1101 C ILE A 71 -11.646 11.437 -11.378 1.00 0.00 C ATOM 1102 O ILE A 71 -10.745 12.056 -11.904 1.00 0.00 O ATOM 1103 CB ILE A 71 -10.865 10.778 -9.094 1.00 0.00 C ATOM 1104 CG1 ILE A 71 -10.689 9.595 -8.131 1.00 0.00 C ATOM 1105 CG2 ILE A 71 -11.885 11.765 -8.517 1.00 0.00 C ATOM 1106 CD1 ILE A 71 -9.945 10.050 -6.871 1.00 0.00 C ATOM 0 H ILE A 71 -9.476 9.809 -11.289 1.00 0.00 H new ATOM 0 HA ILE A 71 -12.301 9.709 -10.280 1.00 0.00 H new ATOM 0 HB ILE A 71 -9.907 11.280 -9.228 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.663 9.188 -7.861 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.134 8.795 -8.622 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -11.528 12.137 -7.557 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -12.013 12.600 -9.205 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -12.841 11.260 -8.378 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -9.825 9.204 -6.194 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.964 10.436 -7.147 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -10.516 10.834 -6.374 1.00 0.00 H new ATOM 1118 N ASN A 72 -12.898 11.722 -11.578 1.00 0.00 N ATOM 1119 CA ASN A 72 -13.333 12.840 -12.463 1.00 0.00 C ATOM 1120 C ASN A 72 -12.795 12.652 -13.885 1.00 0.00 C ATOM 1121 O ASN A 72 -12.662 13.595 -14.636 1.00 0.00 O ATOM 1122 CB ASN A 72 -12.905 14.193 -11.866 1.00 0.00 C ATOM 1123 CG ASN A 72 -11.461 14.533 -12.241 1.00 0.00 C ATOM 1124 OD1 ASN A 72 -11.192 14.944 -13.350 1.00 0.00 O ATOM 1125 ND2 ASN A 72 -10.520 14.386 -11.353 1.00 0.00 N ATOM 0 H ASN A 72 -13.668 11.208 -11.150 1.00 0.00 H new ATOM 0 HA ASN A 72 -14.421 12.833 -12.526 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.571 14.978 -12.224 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.004 14.162 -10.781 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.555 14.617 -11.590 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.748 14.040 -10.421 1.00 0.00 H new ATOM 1132 N GLY A 73 -12.534 11.432 -14.268 1.00 0.00 N ATOM 1133 CA GLY A 73 -12.051 11.159 -15.657 1.00 0.00 C ATOM 1134 C GLY A 73 -10.529 11.274 -15.744 1.00 0.00 C ATOM 1135 O GLY A 73 -9.991 11.627 -16.776 1.00 0.00 O ATOM 0 H GLY A 73 -12.634 10.607 -13.677 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.361 10.160 -15.963 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.512 11.862 -16.350 1.00 0.00 H new ATOM 1139 N ARG A 74 -9.824 10.959 -14.689 1.00 0.00 N ATOM 1140 CA ARG A 74 -8.333 11.031 -14.753 1.00 0.00 C ATOM 1141 C ARG A 74 -7.703 10.359 -13.513 1.00 0.00 C ATOM 1142 O ARG A 74 -8.287 10.341 -12.444 1.00 0.00 O ATOM 1143 CB ARG A 74 -7.880 12.497 -14.834 1.00 0.00 C ATOM 1144 CG ARG A 74 -8.768 13.379 -13.952 1.00 0.00 C ATOM 1145 CD ARG A 74 -8.189 14.801 -13.907 1.00 0.00 C ATOM 1146 NE ARG A 74 -6.875 14.785 -13.196 1.00 0.00 N ATOM 1147 CZ ARG A 74 -6.282 15.908 -12.871 1.00 0.00 C ATOM 1148 NH1 ARG A 74 -6.833 17.059 -13.163 1.00 0.00 N ATOM 1149 NH2 ARG A 74 -5.135 15.879 -12.252 1.00 0.00 N ATOM 0 H ARG A 74 -10.210 10.658 -13.794 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.001 10.501 -15.646 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.841 12.582 -14.515 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.925 12.842 -15.867 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -9.784 13.400 -14.346 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.825 12.965 -12.945 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.062 15.185 -14.919 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -8.882 15.471 -13.397 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.436 13.894 -12.962 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.730 17.087 -13.647 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.365 17.928 -12.907 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.702 14.985 -12.022 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.671 16.751 -11.998 1.00 0.00 H new ATOM 1163 N PRO A 75 -6.513 9.812 -13.665 1.00 0.00 N ATOM 1164 CA PRO A 75 -5.775 9.130 -12.553 1.00 0.00 C ATOM 1165 C PRO A 75 -5.309 10.113 -11.479 1.00 0.00 C ATOM 1166 O PRO A 75 -4.205 10.616 -11.518 1.00 0.00 O ATOM 1167 CB PRO A 75 -4.582 8.467 -13.258 1.00 0.00 C ATOM 1168 CG PRO A 75 -4.367 9.269 -14.502 1.00 0.00 C ATOM 1169 CD PRO A 75 -5.739 9.784 -14.920 1.00 0.00 C ATOM 0 HA PRO A 75 -6.405 8.417 -12.020 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.695 8.477 -12.625 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.794 7.424 -13.493 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.681 10.096 -14.318 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.925 8.657 -15.288 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -5.672 10.775 -15.369 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -6.202 9.130 -15.659 1.00 0.00 H new ATOM 1177 N THR A 76 -6.150 10.380 -10.520 1.00 0.00 N ATOM 1178 CA THR A 76 -5.792 11.327 -9.422 1.00 0.00 C ATOM 1179 C THR A 76 -5.482 10.544 -8.145 1.00 0.00 C ATOM 1180 O THR A 76 -4.929 11.079 -7.205 1.00 0.00 O ATOM 1181 CB THR A 76 -6.976 12.259 -9.161 1.00 0.00 C ATOM 1182 OG1 THR A 76 -7.506 12.708 -10.401 1.00 0.00 O ATOM 1183 CG2 THR A 76 -6.506 13.456 -8.337 1.00 0.00 C ATOM 0 H THR A 76 -7.084 9.977 -10.447 1.00 0.00 H new ATOM 0 HA THR A 76 -4.916 11.906 -9.714 1.00 0.00 H new ATOM 0 HB THR A 76 -7.750 11.724 -8.611 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.266 13.304 -10.235 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.348 14.122 -8.150 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.101 13.107 -7.387 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.733 13.994 -8.885 1.00 0.00 H new ATOM 1191 N ALA A 77 -5.842 9.286 -8.093 1.00 0.00 N ATOM 1192 CA ALA A 77 -5.573 8.479 -6.861 1.00 0.00 C ATOM 1193 C ALA A 77 -5.151 7.071 -7.248 1.00 0.00 C ATOM 1194 O ALA A 77 -5.515 6.560 -8.287 1.00 0.00 O ATOM 1195 CB ALA A 77 -6.841 8.407 -6.011 1.00 0.00 C ATOM 0 H ALA A 77 -6.309 8.783 -8.847 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.774 8.953 -6.292 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.645 7.819 -5.114 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.145 9.414 -5.726 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.638 7.936 -6.586 1.00 0.00 H new ATOM 1201 N ILE A 78 -4.367 6.447 -6.415 1.00 0.00 N ATOM 1202 CA ILE A 78 -3.882 5.065 -6.700 1.00 0.00 C ATOM 1203 C ILE A 78 -4.048 4.191 -5.466 1.00 0.00 C ATOM 1204 O ILE A 78 -3.741 4.588 -4.363 1.00 0.00 O ATOM 1205 CB ILE A 78 -2.411 5.117 -7.109 1.00 0.00 C ATOM 1206 CG1 ILE A 78 -2.300 5.857 -8.450 1.00 0.00 C ATOM 1207 CG2 ILE A 78 -1.864 3.691 -7.240 1.00 0.00 C ATOM 1208 CD1 ILE A 78 -0.833 6.131 -8.792 1.00 0.00 C ATOM 0 H ILE A 78 -4.036 6.841 -5.534 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.468 4.638 -7.514 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.828 5.644 -6.354 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.758 5.262 -9.240 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.849 6.797 -8.400 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.814 3.729 -7.532 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.956 3.177 -6.283 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.432 3.152 -7.998 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.774 6.656 -9.745 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.386 6.746 -8.011 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.294 5.187 -8.864 1.00 0.00 H new ATOM 1220 N GLU A 79 -4.535 2.994 -5.660 1.00 0.00 N ATOM 1221 CA GLU A 79 -4.738 2.051 -4.518 1.00 0.00 C ATOM 1222 C GLU A 79 -4.041 0.725 -4.800 1.00 0.00 C ATOM 1223 O GLU A 79 -3.674 0.416 -5.917 1.00 0.00 O ATOM 1224 CB GLU A 79 -6.239 1.808 -4.311 1.00 0.00 C ATOM 1225 CG GLU A 79 -6.814 0.966 -5.463 1.00 0.00 C ATOM 1226 CD GLU A 79 -6.539 -0.524 -5.219 1.00 0.00 C ATOM 1227 OE1 GLU A 79 -6.602 -0.941 -4.076 1.00 0.00 O ATOM 1228 OE2 GLU A 79 -6.259 -1.217 -6.182 1.00 0.00 O ATOM 0 H GLU A 79 -4.804 2.624 -6.572 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.312 2.491 -3.617 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.403 1.297 -3.362 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.763 2.762 -4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.887 1.136 -5.547 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.367 1.276 -6.408 1.00 0.00 H new ATOM 1235 N ALA A 80 -3.872 -0.059 -3.776 1.00 0.00 N ATOM 1236 CA ALA A 80 -3.207 -1.386 -3.924 1.00 0.00 C ATOM 1237 C ALA A 80 -3.863 -2.395 -2.988 1.00 0.00 C ATOM 1238 O ALA A 80 -4.363 -2.058 -1.933 1.00 0.00 O ATOM 1239 CB ALA A 80 -1.728 -1.255 -3.567 1.00 0.00 C ATOM 0 H ALA A 80 -4.170 0.165 -2.827 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.308 -1.727 -4.954 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.241 -2.224 -3.675 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.255 -0.535 -4.234 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.631 -0.913 -2.537 1.00 0.00 H new ATOM 1245 N THR A 81 -3.855 -3.643 -3.378 1.00 0.00 N ATOM 1246 CA THR A 81 -4.468 -4.721 -2.541 1.00 0.00 C ATOM 1247 C THR A 81 -3.437 -5.810 -2.278 1.00 0.00 C ATOM 1248 O THR A 81 -2.823 -6.339 -3.183 1.00 0.00 O ATOM 1249 CB THR A 81 -5.671 -5.313 -3.274 1.00 0.00 C ATOM 1250 OG1 THR A 81 -6.602 -4.278 -3.555 1.00 0.00 O ATOM 1251 CG2 THR A 81 -6.332 -6.367 -2.386 1.00 0.00 C ATOM 0 H THR A 81 -3.444 -3.967 -4.254 1.00 0.00 H new ATOM 0 HA THR A 81 -4.797 -4.302 -1.590 1.00 0.00 H new ATOM 0 HB THR A 81 -5.346 -5.774 -4.207 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.375 -4.653 -4.027 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.191 -6.793 -2.904 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.615 -7.157 -2.163 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.662 -5.904 -1.456 1.00 0.00 H new ATOM 1259 N VAL A 82 -3.248 -6.143 -1.028 1.00 0.00 N ATOM 1260 CA VAL A 82 -2.255 -7.195 -0.647 1.00 0.00 C ATOM 1261 C VAL A 82 -2.979 -8.393 -0.035 1.00 0.00 C ATOM 1262 O VAL A 82 -3.831 -8.259 0.823 1.00 0.00 O ATOM 1263 CB VAL A 82 -1.263 -6.610 0.358 1.00 0.00 C ATOM 1264 CG1 VAL A 82 -0.411 -7.735 0.951 1.00 0.00 C ATOM 1265 CG2 VAL A 82 -0.358 -5.609 -0.361 1.00 0.00 C ATOM 0 H VAL A 82 -3.746 -5.725 -0.242 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.716 -7.528 -1.534 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.804 -6.108 1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.296 -7.317 1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.057 -8.453 1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.136 -8.237 0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.353 -5.186 0.349 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.184 -6.116 -1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.965 -4.810 -0.786 1.00 0.00 H new ATOM 1275 N ILE A 83 -2.634 -9.566 -0.490 1.00 0.00 N ATOM 1276 CA ILE A 83 -3.275 -10.813 0.021 1.00 0.00 C ATOM 1277 C ILE A 83 -2.425 -11.411 1.142 1.00 0.00 C ATOM 1278 O ILE A 83 -1.257 -11.700 0.973 1.00 0.00 O ATOM 1279 CB ILE A 83 -3.396 -11.824 -1.123 1.00 0.00 C ATOM 1280 CG1 ILE A 83 -4.022 -11.141 -2.348 1.00 0.00 C ATOM 1281 CG2 ILE A 83 -4.285 -12.987 -0.677 1.00 0.00 C ATOM 1282 CD1 ILE A 83 -5.323 -10.433 -1.954 1.00 0.00 C ATOM 0 H ILE A 83 -1.923 -9.716 -1.206 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.266 -10.577 0.410 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.407 -12.199 -1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -3.321 -10.421 -2.769 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.223 -11.881 -3.123 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.374 -13.709 -1.489 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.841 -13.471 0.193 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.274 -12.610 -0.417 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.756 -9.953 -2.832 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.028 -11.162 -1.554 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.112 -9.679 -1.195 1.00 0.00 H new ATOM 1294 N LEU A 84 -3.024 -11.605 2.287 1.00 0.00 N ATOM 1295 CA LEU A 84 -2.299 -12.192 3.458 1.00 0.00 C ATOM 1296 C LEU A 84 -2.849 -13.591 3.720 1.00 0.00 C ATOM 1297 O LEU A 84 -3.598 -13.817 4.648 1.00 0.00 O ATOM 1298 CB LEU A 84 -2.519 -11.304 4.686 1.00 0.00 C ATOM 1299 CG LEU A 84 -2.069 -9.873 4.368 1.00 0.00 C ATOM 1300 CD1 LEU A 84 -2.363 -8.969 5.569 1.00 0.00 C ATOM 1301 CD2 LEU A 84 -0.560 -9.856 4.071 1.00 0.00 C ATOM 0 H LEU A 84 -4.002 -11.378 2.465 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.230 -12.252 3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.571 -11.311 4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.957 -11.693 5.535 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.611 -9.510 3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.044 -7.951 5.345 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.433 -8.976 5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.822 -9.335 6.441 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.245 -8.837 3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.014 -10.221 4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.350 -10.498 3.216 1.00 0.00 H new ATOM 1313 N ASN A 85 -2.469 -14.529 2.899 1.00 0.00 N ATOM 1314 CA ASN A 85 -2.943 -15.936 3.062 1.00 0.00 C ATOM 1315 C ASN A 85 -1.886 -16.738 3.821 1.00 0.00 C ATOM 1316 O ASN A 85 -2.041 -17.923 4.033 1.00 0.00 O ATOM 1317 CB ASN A 85 -3.157 -16.563 1.679 1.00 0.00 C ATOM 1318 CG ASN A 85 -4.395 -15.947 1.026 1.00 0.00 C ATOM 1319 OD1 ASN A 85 -5.219 -15.360 1.698 1.00 0.00 O ATOM 1320 ND2 ASN A 85 -4.562 -16.056 -0.262 1.00 0.00 N ATOM 0 H ASN A 85 -1.841 -14.380 2.109 1.00 0.00 H new ATOM 0 HA ASN A 85 -3.881 -15.945 3.617 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -2.281 -16.396 1.053 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -3.281 -17.642 1.772 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -5.385 -15.648 -0.706 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -3.870 -16.549 -0.826 1.00 0.00 H new ATOM 1327 N SER A 86 -0.812 -16.103 4.224 1.00 0.00 N ATOM 1328 CA SER A 86 0.271 -16.832 4.967 1.00 0.00 C ATOM 1329 C SER A 86 0.413 -16.265 6.380 1.00 0.00 C ATOM 1330 O SER A 86 0.277 -15.081 6.615 1.00 0.00 O ATOM 1331 CB SER A 86 1.600 -16.671 4.215 1.00 0.00 C ATOM 1332 OG SER A 86 1.351 -16.647 2.819 1.00 0.00 O ATOM 0 H SER A 86 -0.636 -15.110 4.072 1.00 0.00 H new ATOM 0 HA SER A 86 0.010 -17.888 5.033 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.096 -15.750 4.523 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.272 -17.493 4.462 1.00 0.00 H new ATOM 0 HG SER A 86 2.198 -16.543 2.337 1.00 0.00 H new ATOM 1338 N GLN A 87 0.689 -17.128 7.316 1.00 0.00 N ATOM 1339 CA GLN A 87 0.850 -16.705 8.734 1.00 0.00 C ATOM 1340 C GLN A 87 2.092 -15.817 8.896 1.00 0.00 C ATOM 1341 O GLN A 87 2.026 -14.774 9.514 1.00 0.00 O ATOM 1342 CB GLN A 87 0.979 -17.966 9.628 1.00 0.00 C ATOM 1343 CG GLN A 87 -0.174 -18.009 10.631 1.00 0.00 C ATOM 1344 CD GLN A 87 -0.001 -19.199 11.572 1.00 0.00 C ATOM 1345 OE1 GLN A 87 0.201 -20.313 11.133 1.00 0.00 O ATOM 1346 NE2 GLN A 87 -0.076 -19.009 12.861 1.00 0.00 N ATOM 0 H GLN A 87 0.812 -18.128 7.155 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.023 -16.127 9.036 1.00 0.00 H new ATOM 0 HB2 GLN A 87 0.969 -18.864 9.010 1.00 0.00 H new ATOM 0 HB3 GLN A 87 1.932 -17.953 10.156 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -0.203 -17.082 11.204 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.124 -18.087 10.103 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -0.246 -18.073 13.230 1.00 0.00 H new ATOM 0 HE22 GLN A 87 0.035 -19.796 13.500 1.00 0.00 H new ATOM 1355 N PRO A 88 3.219 -16.230 8.367 1.00 0.00 N ATOM 1356 CA PRO A 88 4.479 -15.443 8.486 1.00 0.00 C ATOM 1357 C PRO A 88 4.269 -13.995 8.040 1.00 0.00 C ATOM 1358 O PRO A 88 4.809 -13.071 8.610 1.00 0.00 O ATOM 1359 CB PRO A 88 5.462 -16.160 7.541 1.00 0.00 C ATOM 1360 CG PRO A 88 4.938 -17.557 7.409 1.00 0.00 C ATOM 1361 CD PRO A 88 3.420 -17.477 7.605 1.00 0.00 C ATOM 0 HA PRO A 88 4.839 -15.394 9.514 1.00 0.00 H new ATOM 0 HB2 PRO A 88 5.508 -15.664 6.571 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.473 -16.156 7.949 1.00 0.00 H new ATOM 0 HG2 PRO A 88 5.181 -17.971 6.430 1.00 0.00 H new ATOM 0 HG3 PRO A 88 5.391 -18.212 8.153 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.896 -17.449 6.650 1.00 0.00 H new ATOM 0 HD3 PRO A 88 3.043 -18.342 8.150 1.00 0.00 H new ATOM 1369 N GLU A 89 3.488 -13.810 7.013 1.00 0.00 N ATOM 1370 CA GLU A 89 3.217 -12.441 6.492 1.00 0.00 C ATOM 1371 C GLU A 89 2.420 -11.657 7.530 1.00 0.00 C ATOM 1372 O GLU A 89 2.639 -10.480 7.738 1.00 0.00 O ATOM 1373 CB GLU A 89 2.398 -12.545 5.198 1.00 0.00 C ATOM 1374 CG GLU A 89 3.264 -13.136 4.081 1.00 0.00 C ATOM 1375 CD GLU A 89 4.393 -12.163 3.732 1.00 0.00 C ATOM 1376 OE1 GLU A 89 4.093 -11.015 3.450 1.00 0.00 O ATOM 1377 OE2 GLU A 89 5.538 -12.584 3.755 1.00 0.00 O ATOM 0 H GLU A 89 3.019 -14.560 6.505 1.00 0.00 H new ATOM 0 HA GLU A 89 4.159 -11.931 6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.521 -13.172 5.361 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.035 -11.559 4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.680 -14.092 4.398 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.654 -13.331 3.199 1.00 0.00 H new ATOM 1384 N TRP A 90 1.491 -12.305 8.174 1.00 0.00 N ATOM 1385 CA TRP A 90 0.656 -11.622 9.202 1.00 0.00 C ATOM 1386 C TRP A 90 1.539 -11.155 10.359 1.00 0.00 C ATOM 1387 O TRP A 90 1.322 -10.106 10.930 1.00 0.00 O ATOM 1388 CB TRP A 90 -0.410 -12.611 9.728 1.00 0.00 C ATOM 1389 CG TRP A 90 -1.627 -12.539 8.865 1.00 0.00 C ATOM 1390 CD1 TRP A 90 -2.060 -13.514 8.036 1.00 0.00 C ATOM 1391 CD2 TRP A 90 -2.565 -11.435 8.727 1.00 0.00 C ATOM 1392 NE1 TRP A 90 -3.210 -13.081 7.402 1.00 0.00 N ATOM 1393 CE2 TRP A 90 -3.563 -11.806 7.799 1.00 0.00 C ATOM 1394 CE3 TRP A 90 -2.650 -10.162 9.322 1.00 0.00 C ATOM 1395 CZ2 TRP A 90 -4.603 -10.939 7.462 1.00 0.00 C ATOM 1396 CZ3 TRP A 90 -3.695 -9.290 8.985 1.00 0.00 C ATOM 1397 CH2 TRP A 90 -4.674 -9.679 8.061 1.00 0.00 C ATOM 0 H TRP A 90 1.272 -13.291 8.031 1.00 0.00 H new ATOM 0 HA TRP A 90 0.166 -10.756 8.757 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -0.011 -13.625 9.728 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -0.668 -12.369 10.759 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -1.586 -14.474 7.892 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -3.733 -13.635 6.724 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -1.906 -9.855 10.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -5.349 -11.240 6.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -3.746 -8.312 9.441 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -5.482 -9.006 7.813 1.00 0.00 H new ATOM 1408 N ASP A 91 2.515 -11.940 10.718 1.00 0.00 N ATOM 1409 CA ASP A 91 3.407 -11.565 11.852 1.00 0.00 C ATOM 1410 C ASP A 91 4.114 -10.246 11.542 1.00 0.00 C ATOM 1411 O ASP A 91 4.111 -9.328 12.337 1.00 0.00 O ATOM 1412 CB ASP A 91 4.461 -12.665 12.043 1.00 0.00 C ATOM 1413 CG ASP A 91 5.423 -12.262 13.162 1.00 0.00 C ATOM 1414 OD1 ASP A 91 4.965 -12.108 14.281 1.00 0.00 O ATOM 1415 OD2 ASP A 91 6.603 -12.117 12.882 1.00 0.00 O ATOM 0 H ASP A 91 2.735 -12.831 10.273 1.00 0.00 H new ATOM 0 HA ASP A 91 2.812 -11.452 12.758 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.976 -13.610 12.289 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.011 -12.821 11.115 1.00 0.00 H new ATOM 1420 N ARG A 92 4.724 -10.156 10.391 1.00 0.00 N ATOM 1421 CA ARG A 92 5.444 -8.908 10.007 1.00 0.00 C ATOM 1422 C ARG A 92 4.439 -7.828 9.612 1.00 0.00 C ATOM 1423 O ARG A 92 4.611 -6.664 9.914 1.00 0.00 O ATOM 1424 CB ARG A 92 6.383 -9.206 8.830 1.00 0.00 C ATOM 1425 CG ARG A 92 5.577 -9.689 7.622 1.00 0.00 C ATOM 1426 CD ARG A 92 6.525 -10.037 6.471 1.00 0.00 C ATOM 1427 NE ARG A 92 7.290 -11.276 6.798 1.00 0.00 N ATOM 1428 CZ ARG A 92 8.225 -11.715 5.992 1.00 0.00 C ATOM 1429 NH1 ARG A 92 8.505 -11.075 4.882 1.00 0.00 N ATOM 1430 NH2 ARG A 92 8.879 -12.800 6.294 1.00 0.00 N ATOM 0 H ARG A 92 4.754 -10.900 9.694 1.00 0.00 H new ATOM 0 HA ARG A 92 6.028 -8.550 10.855 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.945 -8.310 8.567 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.110 -9.965 9.118 1.00 0.00 H new ATOM 0 HG2 ARG A 92 4.985 -10.563 7.894 1.00 0.00 H new ATOM 0 HG3 ARG A 92 4.877 -8.915 7.307 1.00 0.00 H new ATOM 0 HD2 ARG A 92 5.957 -10.182 5.552 1.00 0.00 H new ATOM 0 HD3 ARG A 92 7.213 -9.211 6.293 1.00 0.00 H new ATOM 0 HE ARG A 92 7.083 -11.786 7.657 1.00 0.00 H new ATOM 0 HH11 ARG A 92 7.993 -10.227 4.639 1.00 0.00 H new ATOM 0 HH12 ARG A 92 9.235 -11.425 4.262 1.00 0.00 H new ATOM 0 HH21 ARG A 92 8.662 -13.303 7.154 1.00 0.00 H new ATOM 0 HH22 ARG A 92 9.608 -13.146 5.670 1.00 0.00 H new ATOM 1444 N PHE A 93 3.398 -8.207 8.922 1.00 0.00 N ATOM 1445 CA PHE A 93 2.380 -7.216 8.485 1.00 0.00 C ATOM 1446 C PHE A 93 1.704 -6.616 9.713 1.00 0.00 C ATOM 1447 O PHE A 93 1.497 -5.423 9.800 1.00 0.00 O ATOM 1448 CB PHE A 93 1.330 -7.910 7.610 1.00 0.00 C ATOM 1449 CG PHE A 93 0.401 -6.870 7.028 1.00 0.00 C ATOM 1450 CD1 PHE A 93 0.830 -6.063 5.967 1.00 0.00 C ATOM 1451 CD2 PHE A 93 -0.887 -6.707 7.553 1.00 0.00 C ATOM 1452 CE1 PHE A 93 -0.029 -5.097 5.430 1.00 0.00 C ATOM 1453 CE2 PHE A 93 -1.746 -5.741 7.016 1.00 0.00 C ATOM 1454 CZ PHE A 93 -1.316 -4.935 5.955 1.00 0.00 C ATOM 0 H PHE A 93 3.210 -9.169 8.641 1.00 0.00 H new ATOM 0 HA PHE A 93 2.863 -6.426 7.910 1.00 0.00 H new ATOM 0 HB2 PHE A 93 1.817 -8.468 6.810 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.764 -8.630 8.202 1.00 0.00 H new ATOM 0 HD1 PHE A 93 1.824 -6.186 5.563 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.218 -7.327 8.373 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.302 -4.476 4.610 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.740 -5.617 7.420 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.978 -4.188 5.542 1.00 0.00 H new ATOM 1464 N MET A 94 1.347 -7.447 10.655 1.00 0.00 N ATOM 1465 CA MET A 94 0.669 -6.949 11.883 1.00 0.00 C ATOM 1466 C MET A 94 1.594 -5.972 12.604 1.00 0.00 C ATOM 1467 O MET A 94 1.189 -4.900 13.007 1.00 0.00 O ATOM 1468 CB MET A 94 0.367 -8.137 12.812 1.00 0.00 C ATOM 1469 CG MET A 94 -0.392 -7.649 14.052 1.00 0.00 C ATOM 1470 SD MET A 94 -2.001 -6.989 13.549 1.00 0.00 S ATOM 1471 CE MET A 94 -2.929 -8.535 13.682 1.00 0.00 C ATOM 0 H MET A 94 1.498 -8.455 10.625 1.00 0.00 H new ATOM 0 HA MET A 94 -0.260 -6.447 11.613 1.00 0.00 H new ATOM 0 HB2 MET A 94 -0.225 -8.883 12.282 1.00 0.00 H new ATOM 0 HB3 MET A 94 1.296 -8.622 13.111 1.00 0.00 H new ATOM 0 HG2 MET A 94 -0.527 -8.470 14.756 1.00 0.00 H new ATOM 0 HG3 MET A 94 0.185 -6.880 14.566 1.00 0.00 H new ATOM 0 HE1 MET A 94 -3.970 -8.359 13.412 1.00 0.00 H new ATOM 0 HE2 MET A 94 -2.500 -9.276 13.008 1.00 0.00 H new ATOM 0 HE3 MET A 94 -2.878 -8.903 14.707 1.00 0.00 H new ATOM 1481 N ARG A 95 2.835 -6.343 12.764 1.00 0.00 N ATOM 1482 CA ARG A 95 3.814 -5.455 13.455 1.00 0.00 C ATOM 1483 C ARG A 95 4.045 -4.198 12.615 1.00 0.00 C ATOM 1484 O ARG A 95 4.148 -3.105 13.132 1.00 0.00 O ATOM 1485 CB ARG A 95 5.141 -6.205 13.626 1.00 0.00 C ATOM 1486 CG ARG A 95 4.986 -7.297 14.686 1.00 0.00 C ATOM 1487 CD ARG A 95 6.313 -8.043 14.840 1.00 0.00 C ATOM 1488 NE ARG A 95 6.166 -9.134 15.850 1.00 0.00 N ATOM 1489 CZ ARG A 95 6.345 -8.895 17.126 1.00 0.00 C ATOM 1490 NH1 ARG A 95 6.654 -7.694 17.545 1.00 0.00 N ATOM 1491 NH2 ARG A 95 6.221 -9.868 17.986 1.00 0.00 N ATOM 0 H ARG A 95 3.217 -7.233 12.442 1.00 0.00 H new ATOM 0 HA ARG A 95 3.424 -5.170 14.432 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.444 -6.647 12.677 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.927 -5.509 13.919 1.00 0.00 H new ATOM 0 HG2 ARG A 95 4.690 -6.856 15.638 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.197 -7.991 14.397 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.619 -8.461 13.881 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.096 -7.351 15.150 1.00 0.00 H new ATOM 0 HE ARG A 95 5.923 -10.076 15.543 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.758 -6.931 16.876 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.791 -7.521 18.541 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.986 -10.807 17.664 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.359 -9.690 18.981 1.00 0.00 H new ATOM 1505 N PHE A 96 4.134 -4.360 11.324 1.00 0.00 N ATOM 1506 CA PHE A 96 4.361 -3.196 10.417 1.00 0.00 C ATOM 1507 C PHE A 96 3.180 -2.235 10.508 1.00 0.00 C ATOM 1508 O PHE A 96 3.346 -1.035 10.568 1.00 0.00 O ATOM 1509 CB PHE A 96 4.495 -3.699 8.972 1.00 0.00 C ATOM 1510 CG PHE A 96 4.695 -2.523 8.040 1.00 0.00 C ATOM 1511 CD1 PHE A 96 5.915 -1.837 8.027 1.00 0.00 C ATOM 1512 CD2 PHE A 96 3.659 -2.124 7.182 1.00 0.00 C ATOM 1513 CE1 PHE A 96 6.101 -0.750 7.163 1.00 0.00 C ATOM 1514 CE2 PHE A 96 3.846 -1.037 6.318 1.00 0.00 C ATOM 1515 CZ PHE A 96 5.066 -0.352 6.307 1.00 0.00 C ATOM 0 H PHE A 96 4.058 -5.261 10.851 1.00 0.00 H new ATOM 0 HA PHE A 96 5.273 -2.678 10.714 1.00 0.00 H new ATOM 0 HB2 PHE A 96 5.337 -4.386 8.892 1.00 0.00 H new ATOM 0 HB3 PHE A 96 3.602 -4.255 8.686 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.714 -2.146 8.684 1.00 0.00 H new ATOM 0 HD2 PHE A 96 2.718 -2.654 7.188 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.042 -0.219 7.157 1.00 0.00 H new ATOM 0 HE2 PHE A 96 3.048 -0.728 5.660 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.210 0.484 5.638 1.00 0.00 H new ATOM 1525 N MET A 97 1.985 -2.761 10.496 1.00 0.00 N ATOM 1526 CA MET A 97 0.770 -1.901 10.561 1.00 0.00 C ATOM 1527 C MET A 97 0.755 -1.138 11.882 1.00 0.00 C ATOM 1528 O MET A 97 0.384 0.018 11.936 1.00 0.00 O ATOM 1529 CB MET A 97 -0.483 -2.788 10.468 1.00 0.00 C ATOM 1530 CG MET A 97 -1.745 -1.917 10.469 1.00 0.00 C ATOM 1531 SD MET A 97 -1.759 -0.866 8.994 1.00 0.00 S ATOM 1532 CE MET A 97 -2.592 0.559 9.735 1.00 0.00 C ATOM 0 H MET A 97 1.798 -3.762 10.443 1.00 0.00 H new ATOM 0 HA MET A 97 0.780 -1.191 9.734 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.447 -3.388 9.559 1.00 0.00 H new ATOM 0 HB3 MET A 97 -0.510 -3.482 11.308 1.00 0.00 H new ATOM 0 HG2 MET A 97 -2.634 -2.547 10.487 1.00 0.00 H new ATOM 0 HG3 MET A 97 -1.773 -1.300 11.367 1.00 0.00 H new ATOM 0 HE1 MET A 97 -2.707 1.343 8.987 1.00 0.00 H new ATOM 0 HE2 MET A 97 -3.574 0.258 10.099 1.00 0.00 H new ATOM 0 HE3 MET A 97 -1.997 0.936 10.567 1.00 0.00 H new ATOM 1542 N GLU A 98 1.140 -1.782 12.946 1.00 0.00 N ATOM 1543 CA GLU A 98 1.144 -1.116 14.277 1.00 0.00 C ATOM 1544 C GLU A 98 2.180 0.005 14.290 1.00 0.00 C ATOM 1545 O GLU A 98 1.882 1.131 14.632 1.00 0.00 O ATOM 1546 CB GLU A 98 1.512 -2.149 15.351 1.00 0.00 C ATOM 1547 CG GLU A 98 0.360 -3.139 15.546 1.00 0.00 C ATOM 1548 CD GLU A 98 -0.836 -2.419 16.176 1.00 0.00 C ATOM 1549 OE1 GLU A 98 -0.672 -1.283 16.587 1.00 0.00 O ATOM 1550 OE2 GLU A 98 -1.893 -3.025 16.250 1.00 0.00 O ATOM 0 H GLU A 98 1.456 -2.752 12.951 1.00 0.00 H new ATOM 0 HA GLU A 98 0.157 -0.700 14.478 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.416 -2.684 15.058 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.731 -1.644 16.292 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.073 -3.572 14.588 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.679 -3.962 16.185 1.00 0.00 H new ATOM 1557 N ARG A 99 3.394 -0.304 13.925 1.00 0.00 N ATOM 1558 CA ARG A 99 4.469 0.731 13.919 1.00 0.00 C ATOM 1559 C ARG A 99 4.156 1.781 12.853 1.00 0.00 C ATOM 1560 O ARG A 99 4.266 2.969 13.084 1.00 0.00 O ATOM 1561 CB ARG A 99 5.809 0.059 13.587 1.00 0.00 C ATOM 1562 CG ARG A 99 6.255 -0.802 14.770 1.00 0.00 C ATOM 1563 CD ARG A 99 7.545 -1.552 14.412 1.00 0.00 C ATOM 1564 NE ARG A 99 8.654 -0.571 14.222 1.00 0.00 N ATOM 1565 CZ ARG A 99 9.835 -0.969 13.812 1.00 0.00 C ATOM 1566 NH1 ARG A 99 10.059 -2.231 13.548 1.00 0.00 N ATOM 1567 NH2 ARG A 99 10.791 -0.097 13.662 1.00 0.00 N ATOM 0 H ARG A 99 3.690 -1.234 13.629 1.00 0.00 H new ATOM 0 HA ARG A 99 4.525 1.209 14.897 1.00 0.00 H new ATOM 0 HB2 ARG A 99 5.708 -0.557 12.693 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.563 0.815 13.369 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.420 -0.175 15.646 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.471 -1.513 15.030 1.00 0.00 H new ATOM 0 HD2 ARG A 99 7.800 -2.257 15.203 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.400 -2.134 13.502 1.00 0.00 H new ATOM 0 HE ARG A 99 8.492 0.418 14.413 1.00 0.00 H new ATOM 0 HH11 ARG A 99 9.312 -2.916 13.660 1.00 0.00 H new ATOM 0 HH12 ARG A 99 10.981 -2.530 13.230 1.00 0.00 H new ATOM 0 HH21 ARG A 99 10.619 0.888 13.863 1.00 0.00 H new ATOM 0 HH22 ARG A 99 11.712 -0.399 13.344 1.00 0.00 H new ATOM 1581 N TYR A 100 3.762 1.339 11.689 1.00 0.00 N ATOM 1582 CA TYR A 100 3.433 2.287 10.589 1.00 0.00 C ATOM 1583 C TYR A 100 2.239 3.145 11.001 1.00 0.00 C ATOM 1584 O TYR A 100 2.241 4.349 10.845 1.00 0.00 O ATOM 1585 CB TYR A 100 3.076 1.492 9.323 1.00 0.00 C ATOM 1586 CG TYR A 100 2.611 2.446 8.245 1.00 0.00 C ATOM 1587 CD1 TYR A 100 3.541 3.262 7.586 1.00 0.00 C ATOM 1588 CD2 TYR A 100 1.254 2.517 7.909 1.00 0.00 C ATOM 1589 CE1 TYR A 100 3.111 4.149 6.593 1.00 0.00 C ATOM 1590 CE2 TYR A 100 0.826 3.403 6.914 1.00 0.00 C ATOM 1591 CZ TYR A 100 1.753 4.220 6.258 1.00 0.00 C ATOM 1592 OH TYR A 100 1.331 5.096 5.280 1.00 0.00 O ATOM 0 H TYR A 100 3.654 0.353 11.453 1.00 0.00 H new ATOM 0 HA TYR A 100 4.292 2.928 10.389 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.943 0.930 8.977 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.293 0.767 9.544 1.00 0.00 H new ATOM 0 HD1 TYR A 100 4.588 3.206 7.844 1.00 0.00 H new ATOM 0 HD2 TYR A 100 0.538 1.888 8.417 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.826 4.779 6.085 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.220 3.456 6.652 1.00 0.00 H new ATOM 0 HH TYR A 100 2.104 5.409 4.765 1.00 0.00 H new ATOM 1602 N GLY A 101 1.219 2.521 11.519 1.00 0.00 N ATOM 1603 CA GLY A 101 0.002 3.270 11.947 1.00 0.00 C ATOM 1604 C GLY A 101 0.347 4.176 13.127 1.00 0.00 C ATOM 1605 O GLY A 101 -0.198 5.252 13.276 1.00 0.00 O ATOM 0 H GLY A 101 1.175 1.513 11.666 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -0.381 3.865 11.118 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.786 2.572 12.229 1.00 0.00 H new ATOM 1609 N ALA A 102 1.233 3.735 13.975 1.00 0.00 N ATOM 1610 CA ALA A 102 1.615 4.547 15.166 1.00 0.00 C ATOM 1611 C ALA A 102 2.124 5.910 14.706 1.00 0.00 C ATOM 1612 O ALA A 102 1.753 6.933 15.243 1.00 0.00 O ATOM 1613 CB ALA A 102 2.730 3.822 15.933 1.00 0.00 C ATOM 0 H ALA A 102 1.714 2.839 13.894 1.00 0.00 H new ATOM 0 HA ALA A 102 0.748 4.680 15.814 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.014 4.411 16.805 1.00 0.00 H new ATOM 0 HB2 ALA A 102 2.373 2.844 16.256 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.596 3.696 15.283 1.00 0.00 H new ATOM 1619 N GLU A 103 2.972 5.921 13.715 1.00 0.00 N ATOM 1620 CA GLU A 103 3.521 7.208 13.199 1.00 0.00 C ATOM 1621 C GLU A 103 2.430 7.942 12.426 1.00 0.00 C ATOM 1622 O GLU A 103 2.103 9.072 12.720 1.00 0.00 O ATOM 1623 CB GLU A 103 4.695 6.916 12.258 1.00 0.00 C ATOM 1624 CG GLU A 103 5.863 6.347 13.065 1.00 0.00 C ATOM 1625 CD GLU A 103 7.002 5.958 12.120 1.00 0.00 C ATOM 1626 OE1 GLU A 103 6.861 6.175 10.928 1.00 0.00 O ATOM 1627 OE2 GLU A 103 7.999 5.447 12.607 1.00 0.00 O ATOM 0 H GLU A 103 3.311 5.087 13.236 1.00 0.00 H new ATOM 0 HA GLU A 103 3.862 7.823 14.032 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.391 6.207 11.488 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.002 7.829 11.747 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.213 7.085 13.787 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.535 5.476 13.633 1.00 0.00 H new ATOM 1634 N ASN A 104 1.866 7.291 11.442 1.00 0.00 N ATOM 1635 CA ASN A 104 0.788 7.922 10.627 1.00 0.00 C ATOM 1636 C ASN A 104 0.274 6.926 9.586 1.00 0.00 C ATOM 1637 O ASN A 104 0.461 5.730 9.698 1.00 0.00 O ATOM 1638 CB ASN A 104 1.331 9.160 9.905 1.00 0.00 C ATOM 1639 CG ASN A 104 2.493 8.772 8.985 1.00 0.00 C ATOM 1640 OD1 ASN A 104 2.512 7.695 8.422 1.00 0.00 O ATOM 1641 ND2 ASN A 104 3.472 9.618 8.808 1.00 0.00 N ATOM 0 H ASN A 104 2.110 6.340 11.166 1.00 0.00 H new ATOM 0 HA ASN A 104 -0.025 8.214 11.291 1.00 0.00 H new ATOM 0 HB2 ASN A 104 0.537 9.627 9.322 1.00 0.00 H new ATOM 0 HB3 ASN A 104 1.666 9.897 10.635 1.00 0.00 H new ATOM 0 HD21 ASN A 104 4.252 9.375 8.197 1.00 0.00 H new ATOM 0 HD22 ASN A 104 3.457 10.522 9.280 1.00 0.00 H new ATOM 1648 N GLY A 105 -0.371 7.428 8.568 1.00 0.00 N ATOM 1649 CA GLY A 105 -0.915 6.557 7.485 1.00 0.00 C ATOM 1650 C GLY A 105 -2.368 6.202 7.804 1.00 0.00 C ATOM 1651 O GLY A 105 -2.937 5.302 7.220 1.00 0.00 O ATOM 0 H GLY A 105 -0.547 8.424 8.439 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.856 7.071 6.525 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.318 5.649 7.398 1.00 0.00 H new ATOM 1655 N LEU A 106 -2.967 6.908 8.725 1.00 0.00 N ATOM 1656 CA LEU A 106 -4.384 6.630 9.102 1.00 0.00 C ATOM 1657 C LEU A 106 -5.313 7.373 8.142 1.00 0.00 C ATOM 1658 O LEU A 106 -6.517 7.350 8.288 1.00 0.00 O ATOM 1659 CB LEU A 106 -4.631 7.112 10.541 1.00 0.00 C ATOM 1660 CG LEU A 106 -4.126 6.055 11.527 1.00 0.00 C ATOM 1661 CD1 LEU A 106 -2.642 5.782 11.285 1.00 0.00 C ATOM 1662 CD2 LEU A 106 -4.324 6.556 12.960 1.00 0.00 C ATOM 0 H LEU A 106 -2.530 7.674 9.238 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.581 5.560 9.042 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.118 8.059 10.712 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.694 7.293 10.698 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.689 5.133 11.380 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -2.291 5.029 11.991 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.500 5.420 10.267 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.075 6.702 11.425 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -3.964 5.803 13.662 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.765 7.481 13.102 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.383 6.741 13.138 1.00 0.00 H new ATOM 1674 N GLY A 107 -4.754 8.026 7.160 1.00 0.00 N ATOM 1675 CA GLY A 107 -5.586 8.769 6.163 1.00 0.00 C ATOM 1676 C GLY A 107 -5.672 10.244 6.542 1.00 0.00 C ATOM 1677 O GLY A 107 -4.701 10.867 6.925 1.00 0.00 O ATOM 0 H GLY A 107 -3.748 8.079 7.002 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -5.152 8.667 5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -6.586 8.338 6.120 1.00 0.00 H new ATOM 1681 N PHE A 108 -6.844 10.799 6.428 1.00 0.00 N ATOM 1682 CA PHE A 108 -7.063 12.232 6.767 1.00 0.00 C ATOM 1683 C PHE A 108 -6.087 13.127 6.003 1.00 0.00 C ATOM 1684 O PHE A 108 -5.141 12.667 5.396 1.00 0.00 O ATOM 1685 CB PHE A 108 -6.878 12.438 8.267 1.00 0.00 C ATOM 1686 CG PHE A 108 -7.952 11.680 9.012 1.00 0.00 C ATOM 1687 CD1 PHE A 108 -9.218 12.252 9.189 1.00 0.00 C ATOM 1688 CD2 PHE A 108 -7.682 10.406 9.525 1.00 0.00 C ATOM 1689 CE1 PHE A 108 -10.213 11.548 9.880 1.00 0.00 C ATOM 1690 CE2 PHE A 108 -8.676 9.703 10.215 1.00 0.00 C ATOM 1691 CZ PHE A 108 -9.942 10.276 10.394 1.00 0.00 C ATOM 0 H PHE A 108 -7.679 10.309 6.107 1.00 0.00 H new ATOM 0 HA PHE A 108 -8.079 12.503 6.480 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -5.892 12.090 8.574 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -6.932 13.499 8.509 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -9.427 13.235 8.793 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.706 9.965 9.388 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -11.190 11.988 10.016 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -8.467 8.719 10.609 1.00 0.00 H new ATOM 0 HZ PHE A 108 -10.709 9.735 10.929 1.00 0.00 H new ATOM 1701 N SER A 109 -6.342 14.411 6.023 1.00 0.00 N ATOM 1702 CA SER A 109 -5.476 15.386 5.291 1.00 0.00 C ATOM 1703 C SER A 109 -4.080 15.436 5.909 1.00 0.00 C ATOM 1704 O SER A 109 -3.907 15.389 7.111 1.00 0.00 O ATOM 1705 CB SER A 109 -6.120 16.779 5.345 1.00 0.00 C ATOM 1706 OG SER A 109 -5.249 17.724 4.742 1.00 0.00 O ATOM 0 H SER A 109 -7.125 14.831 6.523 1.00 0.00 H new ATOM 0 HA SER A 109 -5.382 15.065 4.254 1.00 0.00 H new ATOM 0 HB2 SER A 109 -7.079 16.769 4.827 1.00 0.00 H new ATOM 0 HB3 SER A 109 -6.320 17.060 6.379 1.00 0.00 H new ATOM 0 HG SER A 109 -5.659 18.614 4.774 1.00 0.00 H new ATOM 1712 N LYS A 110 -3.086 15.524 5.069 1.00 0.00 N ATOM 1713 CA LYS A 110 -1.674 15.568 5.544 1.00 0.00 C ATOM 1714 C LYS A 110 -1.323 16.953 6.079 1.00 0.00 C ATOM 1715 O LYS A 110 -1.754 17.964 5.564 1.00 0.00 O ATOM 1716 CB LYS A 110 -0.733 15.203 4.390 1.00 0.00 C ATOM 1717 CG LYS A 110 -0.935 16.158 3.207 1.00 0.00 C ATOM 1718 CD LYS A 110 0.125 15.870 2.133 1.00 0.00 C ATOM 1719 CE LYS A 110 -0.188 14.549 1.422 1.00 0.00 C ATOM 1720 NZ LYS A 110 0.586 14.472 0.155 1.00 0.00 N ATOM 0 H LYS A 110 -3.195 15.568 4.056 1.00 0.00 H new ATOM 0 HA LYS A 110 -1.558 14.848 6.354 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.302 15.249 4.729 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.919 14.177 4.072 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.934 16.032 2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.857 17.192 3.543 1.00 0.00 H new ATOM 0 HD2 LYS A 110 0.150 16.684 1.409 1.00 0.00 H new ATOM 0 HD3 LYS A 110 1.113 15.820 2.591 1.00 0.00 H new ATOM 0 HE2 LYS A 110 0.065 13.708 2.067 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.256 14.480 1.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.374 13.576 -0.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 0.323 15.268 -0.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 1.603 14.519 0.366 1.00 0.00 H new ATOM 1734 N SER A 111 -0.531 16.992 7.116 1.00 0.00 N ATOM 1735 CA SER A 111 -0.123 18.294 7.711 1.00 0.00 C ATOM 1736 C SER A 111 0.653 18.051 9.012 1.00 0.00 C ATOM 1737 O SER A 111 1.865 18.036 9.032 1.00 0.00 O ATOM 1738 CB SER A 111 -1.375 19.120 8.021 1.00 0.00 C ATOM 1739 OG SER A 111 -1.155 19.890 9.197 1.00 0.00 O ATOM 0 H SER A 111 -0.146 16.169 7.580 1.00 0.00 H new ATOM 0 HA SER A 111 0.512 18.829 7.005 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.608 19.776 7.182 1.00 0.00 H new ATOM 0 HB3 SER A 111 -2.233 18.462 8.159 1.00 0.00 H new ATOM 0 HG SER A 111 -1.955 20.420 9.395 1.00 0.00 H new ATOM 1745 N GLU A 112 -0.051 17.881 10.101 1.00 0.00 N ATOM 1746 CA GLU A 112 0.618 17.658 11.418 1.00 0.00 C ATOM 1747 C GLU A 112 0.937 16.172 11.590 1.00 0.00 C ATOM 1748 O GLU A 112 1.666 15.782 12.478 1.00 0.00 O ATOM 1749 CB GLU A 112 -0.327 18.108 12.544 1.00 0.00 C ATOM 1750 CG GLU A 112 -0.473 19.634 12.506 1.00 0.00 C ATOM 1751 CD GLU A 112 -1.473 20.095 13.573 1.00 0.00 C ATOM 1752 OE1 GLU A 112 -1.953 19.255 14.317 1.00 0.00 O ATOM 1753 OE2 GLU A 112 -1.743 21.284 13.624 1.00 0.00 O ATOM 0 H GLU A 112 -1.070 17.887 10.135 1.00 0.00 H new ATOM 0 HA GLU A 112 1.544 18.232 11.458 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.302 17.635 12.426 1.00 0.00 H new ATOM 0 HB3 GLU A 112 0.065 17.793 13.511 1.00 0.00 H new ATOM 0 HG2 GLU A 112 0.495 20.104 12.677 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -0.811 19.950 11.519 1.00 0.00 H new ATOM 1760 N LEU A 113 0.384 15.347 10.749 1.00 0.00 N ATOM 1761 CA LEU A 113 0.630 13.878 10.840 1.00 0.00 C ATOM 1762 C LEU A 113 2.087 13.567 10.498 1.00 0.00 C ATOM 1763 O LEU A 113 2.673 12.646 11.034 1.00 0.00 O ATOM 1764 CB LEU A 113 -0.296 13.150 9.857 1.00 0.00 C ATOM 1765 CG LEU A 113 -1.745 13.597 10.090 1.00 0.00 C ATOM 1766 CD1 LEU A 113 -2.660 12.914 9.069 1.00 0.00 C ATOM 1767 CD2 LEU A 113 -2.187 13.210 11.510 1.00 0.00 C ATOM 0 H LEU A 113 -0.237 15.630 9.991 1.00 0.00 H new ATOM 0 HA LEU A 113 0.427 13.541 11.857 1.00 0.00 H new ATOM 0 HB2 LEU A 113 0.002 13.368 8.831 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -0.211 12.072 9.992 1.00 0.00 H new ATOM 0 HG LEU A 113 -1.810 14.679 9.974 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.690 13.231 9.234 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.352 13.192 8.061 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.591 11.832 9.184 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -3.217 13.530 11.670 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.120 12.129 11.630 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -1.538 13.697 12.238 1.00 0.00 H new ATOM 1779 N GLU A 114 2.668 14.310 9.594 1.00 0.00 N ATOM 1780 CA GLU A 114 4.083 14.051 9.193 1.00 0.00 C ATOM 1781 C GLU A 114 4.995 14.249 10.398 1.00 0.00 C ATOM 1782 O GLU A 114 5.904 13.480 10.631 1.00 0.00 O ATOM 1783 CB GLU A 114 4.489 15.033 8.087 1.00 0.00 C ATOM 1784 CG GLU A 114 3.706 14.712 6.810 1.00 0.00 C ATOM 1785 CD GLU A 114 4.045 15.734 5.722 1.00 0.00 C ATOM 1786 OE1 GLU A 114 4.845 16.616 5.989 1.00 0.00 O ATOM 1787 OE2 GLU A 114 3.495 15.619 4.639 1.00 0.00 O ATOM 0 H GLU A 114 2.221 15.090 9.113 1.00 0.00 H new ATOM 0 HA GLU A 114 4.175 13.028 8.827 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.288 16.057 8.402 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.560 14.962 7.898 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.950 13.707 6.466 1.00 0.00 H new ATOM 0 HG3 GLU A 114 2.636 14.728 7.015 1.00 0.00 H new ATOM 1794 N HIS A 115 4.758 15.277 11.164 1.00 0.00 N ATOM 1795 CA HIS A 115 5.609 15.537 12.362 1.00 0.00 C ATOM 1796 C HIS A 115 4.804 16.307 13.411 1.00 0.00 C ATOM 1797 O HIS A 115 3.700 15.943 13.761 1.00 0.00 O ATOM 1798 CB HIS A 115 6.823 16.377 11.959 1.00 0.00 C ATOM 1799 CG HIS A 115 7.814 16.382 13.091 1.00 0.00 C ATOM 1800 ND1 HIS A 115 8.426 15.223 13.535 1.00 0.00 N ATOM 1801 CD2 HIS A 115 8.305 17.394 13.882 1.00 0.00 C ATOM 1802 CE1 HIS A 115 9.243 15.558 14.548 1.00 0.00 C ATOM 1803 NE2 HIS A 115 9.208 16.870 14.801 1.00 0.00 N ATOM 0 H HIS A 115 4.009 15.952 11.012 1.00 0.00 H new ATOM 0 HA HIS A 115 5.938 14.584 12.775 1.00 0.00 H new ATOM 0 HB2 HIS A 115 7.282 15.968 11.059 1.00 0.00 H new ATOM 0 HB3 HIS A 115 6.515 17.396 11.724 1.00 0.00 H new ATOM 0 HD2 HIS A 115 8.031 18.436 13.802 1.00 0.00 H new ATOM 0 HE1 HIS A 115 9.854 14.853 15.092 1.00 0.00 H new ATOM 0 HE2 HIS A 115 9.731 17.378 15.515 1.00 0.00 H new ATOM 1811 N HIS A 116 5.365 17.368 13.920 1.00 0.00 N ATOM 1812 CA HIS A 116 4.672 18.180 14.953 1.00 0.00 C ATOM 1813 C HIS A 116 5.283 19.585 14.978 1.00 0.00 C ATOM 1814 O HIS A 116 4.609 20.571 14.759 1.00 0.00 O ATOM 1815 CB HIS A 116 4.862 17.522 16.324 1.00 0.00 C ATOM 1816 CG HIS A 116 4.116 18.306 17.369 1.00 0.00 C ATOM 1817 ND1 HIS A 116 4.658 19.426 17.980 1.00 0.00 N ATOM 1818 CD2 HIS A 116 2.872 18.140 17.925 1.00 0.00 C ATOM 1819 CE1 HIS A 116 3.750 19.888 18.858 1.00 0.00 C ATOM 1820 NE2 HIS A 116 2.642 19.142 18.866 1.00 0.00 N ATOM 0 H HIS A 116 6.289 17.710 13.658 1.00 0.00 H new ATOM 0 HA HIS A 116 3.609 18.243 14.721 1.00 0.00 H new ATOM 0 HB2 HIS A 116 4.500 16.494 16.299 1.00 0.00 H new ATOM 0 HB3 HIS A 116 5.922 17.480 16.574 1.00 0.00 H new ATOM 0 HD2 HIS A 116 2.177 17.353 17.672 1.00 0.00 H new ATOM 0 HE1 HIS A 116 3.899 20.757 19.481 1.00 0.00 H new ATOM 0 HE2 HIS A 116 1.808 19.277 19.437 1.00 0.00 H new ATOM 1828 N HIS A 117 6.560 19.676 15.253 1.00 0.00 N ATOM 1829 CA HIS A 117 7.235 21.009 15.316 1.00 0.00 C ATOM 1830 C HIS A 117 7.519 21.535 13.908 1.00 0.00 C ATOM 1831 O HIS A 117 7.876 20.801 13.009 1.00 0.00 O ATOM 1832 CB HIS A 117 8.549 20.878 16.097 1.00 0.00 C ATOM 1833 CG HIS A 117 8.257 20.500 17.528 1.00 0.00 C ATOM 1834 ND1 HIS A 117 7.786 21.417 18.458 1.00 0.00 N ATOM 1835 CD2 HIS A 117 8.373 19.310 18.206 1.00 0.00 C ATOM 1836 CE1 HIS A 117 7.638 20.770 19.631 1.00 0.00 C ATOM 1837 NE2 HIS A 117 7.982 19.483 19.531 1.00 0.00 N ATOM 0 H HIS A 117 7.168 18.878 15.438 1.00 0.00 H new ATOM 0 HA HIS A 117 6.576 21.715 15.822 1.00 0.00 H new ATOM 0 HB2 HIS A 117 9.184 20.123 15.634 1.00 0.00 H new ATOM 0 HB3 HIS A 117 9.098 21.819 16.064 1.00 0.00 H new ATOM 0 HD2 HIS A 117 8.716 18.381 17.776 1.00 0.00 H new ATOM 0 HE1 HIS A 117 7.285 21.235 20.540 1.00 0.00 H new ATOM 0 HE2 HIS A 117 7.962 18.778 20.268 1.00 0.00 H new ATOM 1845 N HIS A 118 7.354 22.816 13.725 1.00 0.00 N ATOM 1846 CA HIS A 118 7.594 23.443 12.393 1.00 0.00 C ATOM 1847 C HIS A 118 9.094 23.683 12.212 1.00 0.00 C ATOM 1848 O HIS A 118 9.539 24.137 11.176 1.00 0.00 O ATOM 1849 CB HIS A 118 6.842 24.777 12.322 1.00 0.00 C ATOM 1850 CG HIS A 118 6.879 25.293 10.911 1.00 0.00 C ATOM 1851 ND1 HIS A 118 6.174 24.686 9.885 1.00 0.00 N ATOM 1852 CD2 HIS A 118 7.540 26.351 10.337 1.00 0.00 C ATOM 1853 CE1 HIS A 118 6.424 25.376 8.757 1.00 0.00 C ATOM 1854 NE2 HIS A 118 7.252 26.401 8.977 1.00 0.00 N ATOM 0 H HIS A 118 7.058 23.466 14.454 1.00 0.00 H new ATOM 0 HA HIS A 118 7.237 22.784 11.602 1.00 0.00 H new ATOM 0 HB2 HIS A 118 5.810 24.643 12.646 1.00 0.00 H new ATOM 0 HB3 HIS A 118 7.297 25.501 12.998 1.00 0.00 H new ATOM 0 HD2 HIS A 118 8.185 27.040 10.862 1.00 0.00 H new ATOM 0 HE1 HIS A 118 6.006 25.131 7.792 1.00 0.00 H new ATOM 0 HE2 HIS A 118 7.598 27.075 8.295 1.00 0.00 H new ATOM 1862 N HIS A 119 9.868 23.384 13.218 1.00 0.00 N ATOM 1863 CA HIS A 119 11.342 23.584 13.139 1.00 0.00 C ATOM 1864 C HIS A 119 11.909 22.762 11.981 1.00 0.00 C ATOM 1865 O HIS A 119 12.770 23.208 11.251 1.00 0.00 O ATOM 1866 CB HIS A 119 11.979 23.116 14.455 1.00 0.00 C ATOM 1867 CG HIS A 119 13.462 23.355 14.416 1.00 0.00 C ATOM 1868 ND1 HIS A 119 14.004 24.627 14.345 1.00 0.00 N ATOM 1869 CD2 HIS A 119 14.531 22.492 14.441 1.00 0.00 C ATOM 1870 CE1 HIS A 119 15.343 24.498 14.332 1.00 0.00 C ATOM 1871 NE2 HIS A 119 15.718 23.218 14.389 1.00 0.00 N ATOM 0 H HIS A 119 9.536 23.004 14.105 1.00 0.00 H new ATOM 0 HA HIS A 119 11.562 24.639 12.974 1.00 0.00 H new ATOM 0 HB2 HIS A 119 11.537 23.652 15.295 1.00 0.00 H new ATOM 0 HB3 HIS A 119 11.776 22.057 14.611 1.00 0.00 H new ATOM 0 HD2 HIS A 119 14.461 21.416 14.493 1.00 0.00 H new ATOM 0 HE1 HIS A 119 16.031 25.329 14.282 1.00 0.00 H new ATOM 0 HE2 HIS A 119 16.670 22.851 14.393 1.00 0.00 H new ATOM 1879 N HIS A 120 11.430 21.562 11.823 1.00 0.00 N ATOM 1880 CA HIS A 120 11.922 20.674 10.726 1.00 0.00 C ATOM 1881 C HIS A 120 11.847 21.410 9.387 1.00 0.00 C ATOM 1882 O HIS A 120 12.888 21.599 8.779 1.00 0.00 O ATOM 1883 CB HIS A 120 11.057 19.408 10.670 1.00 0.00 C ATOM 1884 CG HIS A 120 11.610 18.458 9.642 1.00 0.00 C ATOM 1885 ND1 HIS A 120 11.356 18.604 8.286 1.00 0.00 N ATOM 1886 CD2 HIS A 120 12.409 17.345 9.755 1.00 0.00 C ATOM 1887 CE1 HIS A 120 11.990 17.605 7.645 1.00 0.00 C ATOM 1888 NE2 HIS A 120 12.646 16.808 8.494 1.00 0.00 N ATOM 1889 OXT HIS A 120 10.752 21.773 8.993 1.00 0.00 O ATOM 0 H HIS A 120 10.708 21.149 12.414 1.00 0.00 H new ATOM 0 HA HIS A 120 12.958 20.399 10.922 1.00 0.00 H new ATOM 0 HB2 HIS A 120 11.035 18.928 11.648 1.00 0.00 H new ATOM 0 HB3 HIS A 120 10.029 19.670 10.421 1.00 0.00 H new ATOM 0 HD2 HIS A 120 12.794 16.948 10.682 1.00 0.00 H new ATOM 0 HE1 HIS A 120 11.971 17.464 6.574 1.00 0.00 H new ATOM 0 HE2 HIS A 120 13.201 15.983 8.266 1.00 0.00 H new TER 1897 HIS A 120