USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 674 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 86 MET CE :methyl -155:sc= -4.36! (180deg=-5.59!) USER MOD Set 1.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 4 ASN : amide:sc= -0.313 K(o=-0.77,f=-5.6!) USER MOD Set 2.2: A 68 HIS :FLIP no HD1:sc= -0.245 F(o=-5.8!,f=-0.77) USER MOD Set 2.3: A 69 THR OG1 : rot 77:sc= 0.706 USER MOD Set 2.4: A 89 ASN : amide:sc= -0.918 K(o=-0.77,f=-3.4!) USER MOD Set 3.1: A 65 ASN :FLIP amide:sc= 0.654 F(o=0.63,f=1.4) USER MOD Set 3.2: A 71 THR OG1 : rot -147:sc= 0.729 USER MOD Set 4.1: A 50 TYR OH : rot -15:sc= 0.289 USER MOD Set 4.2: A 105 SER OG : rot -134:sc= 0.797 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -1.49! C(o=-1.5!,f=-6.2!) USER MOD Single : A 7 ASN : amide:sc= -0.635 K(o=-0.64,f=-1.6) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.946 K(o=0.95,f=-5.8!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HE2:sc= 1.2 K(o=1.2,f=-4.1!) USER MOD Single : A 33 THR OG1 : rot 120:sc= -0.459 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= -0.31 F(o=-4.5!,f=-0.31) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.978 K(o=0.98,f=-3.9!) USER MOD Single : A 45 ASN : amide:sc= -2.67! C(o=-2.7!,f=-9.6!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 28:sc= 0.0719 USER MOD Single : A 73 SER OG : rot -155:sc= 0.143 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.0188 K(o=-0.019,f=-1) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc=-0.00992 X(o=-0.0099,f=0) USER MOD Single : A 84 SER OG : rot -90:sc= -1.43 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.2! C(o=-1.2!,f=-5.8!) USER MOD Single : A 95 SER OG : rot -173:sc= 1.2 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -117:sc= -0.365 (180deg=-0.813) USER MOD Single : A 106 ASN : amide:sc= -0.369 X(o=-0.37,f=-0.63) USER MOD Single : A 109 HIS :FLIP no HD1:sc= -2.63 F(o=-4.5!,f=-2.6) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.569 -3.130 -1.155 1.00 0.00 N ATOM 2 CA MET A 1 16.689 -3.970 -0.310 1.00 0.00 C ATOM 3 C MET A 1 15.556 -4.559 -1.134 1.00 0.00 C ATOM 4 O MET A 1 15.486 -5.776 -1.309 1.00 0.00 O ATOM 5 CB MET A 1 16.112 -3.161 0.855 1.00 0.00 C ATOM 6 CG MET A 1 15.109 -3.943 1.693 1.00 0.00 C ATOM 7 SD MET A 1 14.437 -2.986 3.066 1.00 0.00 S ATOM 8 CE MET A 1 13.218 -4.131 3.709 1.00 0.00 C ATOM 0 H1 MET A 1 18.337 -2.737 -0.574 1.00 0.00 H new ATOM 0 H2 MET A 1 17.974 -3.710 -1.918 1.00 0.00 H new ATOM 0 H3 MET A 1 17.015 -2.353 -1.568 1.00 0.00 H new ATOM 0 HA MET A 1 17.295 -4.782 0.093 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.928 -2.827 1.496 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.628 -2.267 0.463 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.291 -4.274 1.054 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.591 -4.839 2.084 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.714 -3.683 4.566 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.485 -4.356 2.934 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.712 -5.052 4.019 1.00 0.00 H new ATOM 18 N GLN A 2 14.682 -3.686 -1.640 1.00 0.00 N ATOM 19 CA GLN A 2 13.527 -4.091 -2.444 1.00 0.00 C ATOM 20 C GLN A 2 12.515 -4.874 -1.617 1.00 0.00 C ATOM 21 O GLN A 2 12.782 -5.977 -1.142 1.00 0.00 O ATOM 22 CB GLN A 2 13.945 -4.924 -3.658 1.00 0.00 C ATOM 23 CG GLN A 2 14.681 -4.138 -4.730 1.00 0.00 C ATOM 24 CD GLN A 2 13.790 -3.130 -5.436 1.00 0.00 C ATOM 25 OE1 GLN A 2 12.854 -2.579 -4.851 1.00 0.00 O ATOM 26 NE2 GLN A 2 14.066 -2.888 -6.705 1.00 0.00 N ATOM 0 H GLN A 2 14.755 -2.678 -1.504 1.00 0.00 H new ATOM 0 HA GLN A 2 13.059 -3.171 -2.795 1.00 0.00 H new ATOM 0 HB2 GLN A 2 14.582 -5.742 -3.321 1.00 0.00 H new ATOM 0 HB3 GLN A 2 13.056 -5.374 -4.099 1.00 0.00 H new ATOM 0 HG2 GLN A 2 15.524 -3.616 -4.277 1.00 0.00 H new ATOM 0 HG3 GLN A 2 15.092 -4.831 -5.465 1.00 0.00 H new ATOM 0 HE21 GLN A 2 14.848 -3.362 -7.156 1.00 0.00 H new ATOM 0 HE22 GLN A 2 13.497 -2.227 -7.234 1.00 0.00 H new ATOM 33 N CYS A 3 11.348 -4.289 -1.454 1.00 0.00 N ATOM 34 CA CYS A 3 10.278 -4.925 -0.704 1.00 0.00 C ATOM 35 C CYS A 3 9.463 -5.806 -1.640 1.00 0.00 C ATOM 36 O CYS A 3 9.435 -7.023 -1.476 1.00 0.00 O ATOM 37 CB CYS A 3 9.396 -3.875 -0.033 1.00 0.00 C ATOM 38 SG CYS A 3 10.245 -2.905 1.256 1.00 0.00 S ATOM 0 H CYS A 3 11.112 -3.371 -1.831 1.00 0.00 H new ATOM 0 HA CYS A 3 10.707 -5.546 0.082 1.00 0.00 H new ATOM 0 HB2 CYS A 3 9.017 -3.194 -0.795 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.532 -4.371 0.410 1.00 0.00 H new ATOM 42 N ASN A 4 8.819 -5.170 -2.625 1.00 0.00 N ATOM 43 CA ASN A 4 8.017 -5.864 -3.638 1.00 0.00 C ATOM 44 C ASN A 4 7.140 -6.965 -3.054 1.00 0.00 C ATOM 45 O ASN A 4 7.394 -8.150 -3.278 1.00 0.00 O ATOM 46 CB ASN A 4 8.923 -6.452 -4.724 1.00 0.00 C ATOM 47 CG ASN A 4 9.425 -5.411 -5.705 1.00 0.00 C ATOM 48 OD1 ASN A 4 8.737 -4.434 -6.007 1.00 0.00 O ATOM 49 ND2 ASN A 4 10.630 -5.614 -6.214 1.00 0.00 N ATOM 0 H ASN A 4 8.840 -4.157 -2.742 1.00 0.00 H new ATOM 0 HA ASN A 4 7.352 -5.116 -4.069 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.776 -6.940 -4.253 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.376 -7.222 -5.268 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.020 -4.949 -6.882 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.168 -6.435 -5.938 1.00 0.00 H new ATOM 55 N PHE A 5 6.110 -6.575 -2.308 1.00 0.00 N ATOM 56 CA PHE A 5 5.181 -7.538 -1.717 1.00 0.00 C ATOM 57 C PHE A 5 4.627 -8.477 -2.795 1.00 0.00 C ATOM 58 O PHE A 5 4.410 -9.663 -2.559 1.00 0.00 O ATOM 59 CB PHE A 5 4.023 -6.818 -1.010 1.00 0.00 C ATOM 60 CG PHE A 5 3.030 -6.175 -1.939 1.00 0.00 C ATOM 61 CD1 PHE A 5 3.367 -5.049 -2.675 1.00 0.00 C ATOM 62 CD2 PHE A 5 1.757 -6.705 -2.079 1.00 0.00 C ATOM 63 CE1 PHE A 5 2.455 -4.466 -3.530 1.00 0.00 C ATOM 64 CE2 PHE A 5 0.841 -6.127 -2.934 1.00 0.00 C ATOM 65 CZ PHE A 5 1.190 -5.006 -3.659 1.00 0.00 C ATOM 0 H PHE A 5 5.896 -5.600 -2.098 1.00 0.00 H new ATOM 0 HA PHE A 5 5.728 -8.125 -0.979 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.499 -7.534 -0.377 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.435 -6.053 -0.352 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.355 -4.624 -2.578 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.479 -7.581 -1.512 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.729 -3.589 -4.098 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.147 -6.551 -3.036 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.474 -4.551 -4.327 1.00 0.00 H new ATOM 74 N ALA A 6 4.450 -7.927 -3.993 1.00 0.00 N ATOM 75 CA ALA A 6 3.908 -8.656 -5.132 1.00 0.00 C ATOM 76 C ALA A 6 4.814 -9.798 -5.597 1.00 0.00 C ATOM 77 O ALA A 6 4.338 -10.750 -6.214 1.00 0.00 O ATOM 78 CB ALA A 6 3.675 -7.686 -6.277 1.00 0.00 C ATOM 0 H ALA A 6 4.681 -6.955 -4.201 1.00 0.00 H new ATOM 0 HA ALA A 6 2.970 -9.110 -4.813 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.269 -8.225 -7.133 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.969 -6.917 -5.964 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.620 -7.219 -6.556 1.00 0.00 H new ATOM 84 N ASN A 7 6.109 -9.716 -5.292 1.00 0.00 N ATOM 85 CA ASN A 7 7.063 -10.748 -5.712 1.00 0.00 C ATOM 86 C ASN A 7 6.735 -12.104 -5.112 1.00 0.00 C ATOM 87 O ASN A 7 7.062 -13.139 -5.691 1.00 0.00 O ATOM 88 CB ASN A 7 8.500 -10.364 -5.347 1.00 0.00 C ATOM 89 CG ASN A 7 9.159 -9.503 -6.405 1.00 0.00 C ATOM 90 OD1 ASN A 7 8.493 -8.745 -7.111 1.00 0.00 O ATOM 91 ND2 ASN A 7 10.473 -9.622 -6.533 1.00 0.00 N ATOM 0 H ASN A 7 6.522 -8.951 -4.759 1.00 0.00 H new ATOM 0 HA ASN A 7 6.978 -10.820 -6.796 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.499 -9.829 -4.397 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.089 -11.270 -5.202 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.969 -9.074 -7.236 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.988 -10.261 -5.928 1.00 0.00 H new ATOM 97 N SER A 8 6.094 -12.108 -3.956 1.00 0.00 N ATOM 98 CA SER A 8 5.746 -13.359 -3.308 1.00 0.00 C ATOM 99 C SER A 8 4.276 -13.389 -2.902 1.00 0.00 C ATOM 100 O SER A 8 3.867 -14.241 -2.121 1.00 0.00 O ATOM 101 CB SER A 8 6.628 -13.565 -2.079 1.00 0.00 C ATOM 102 OG SER A 8 8.001 -13.470 -2.418 1.00 0.00 O ATOM 0 H SER A 8 5.807 -11.269 -3.452 1.00 0.00 H new ATOM 0 HA SER A 8 5.913 -14.166 -4.021 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.384 -12.819 -1.323 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.425 -14.542 -1.641 1.00 0.00 H new ATOM 0 HG SER A 8 8.546 -13.604 -1.615 1.00 0.00 H new ATOM 107 N CYS A 9 3.481 -12.484 -3.456 1.00 0.00 N ATOM 108 CA CYS A 9 2.063 -12.424 -3.118 1.00 0.00 C ATOM 109 C CYS A 9 1.187 -12.693 -4.328 1.00 0.00 C ATOM 110 O CYS A 9 1.471 -12.241 -5.439 1.00 0.00 O ATOM 111 CB CYS A 9 1.698 -11.065 -2.514 1.00 0.00 C ATOM 112 SG CYS A 9 1.417 -11.098 -0.713 1.00 0.00 S ATOM 0 H CYS A 9 3.788 -11.787 -4.135 1.00 0.00 H new ATOM 0 HA CYS A 9 1.881 -13.204 -2.379 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.497 -10.357 -2.733 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.798 -10.692 -3.004 1.00 0.00 H new ATOM 116 N THR A 10 0.121 -13.442 -4.096 1.00 0.00 N ATOM 117 CA THR A 10 -0.826 -13.790 -5.138 1.00 0.00 C ATOM 118 C THR A 10 -2.250 -13.677 -4.613 1.00 0.00 C ATOM 119 O THR A 10 -2.477 -13.789 -3.406 1.00 0.00 O ATOM 120 CB THR A 10 -0.585 -15.221 -5.658 1.00 0.00 C ATOM 121 OG1 THR A 10 -0.452 -16.130 -4.555 1.00 0.00 O ATOM 122 CG2 THR A 10 0.658 -15.285 -6.525 1.00 0.00 C ATOM 0 H THR A 10 -0.110 -13.825 -3.179 1.00 0.00 H new ATOM 0 HA THR A 10 -0.682 -13.092 -5.963 1.00 0.00 H new ATOM 0 HB THR A 10 -1.444 -15.508 -6.265 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.301 -17.037 -4.895 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.803 -16.306 -6.878 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.540 -14.619 -7.380 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.525 -14.976 -5.941 1.00 0.00 H new ATOM 130 N GLY A 11 -3.197 -13.447 -5.514 1.00 0.00 N ATOM 131 CA GLY A 11 -4.589 -13.327 -5.120 1.00 0.00 C ATOM 132 C GLY A 11 -4.823 -12.164 -4.177 1.00 0.00 C ATOM 133 O GLY A 11 -5.273 -12.351 -3.044 1.00 0.00 O ATOM 0 H GLY A 11 -3.026 -13.341 -6.514 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.206 -13.200 -6.009 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.909 -14.251 -4.639 1.00 0.00 H new ATOM 137 N VAL A 12 -4.519 -10.964 -4.645 1.00 0.00 N ATOM 138 CA VAL A 12 -4.682 -9.766 -3.835 1.00 0.00 C ATOM 139 C VAL A 12 -6.033 -9.101 -4.084 1.00 0.00 C ATOM 140 O VAL A 12 -6.513 -9.041 -5.217 1.00 0.00 O ATOM 141 CB VAL A 12 -3.550 -8.749 -4.098 1.00 0.00 C ATOM 142 CG1 VAL A 12 -2.213 -9.310 -3.638 1.00 0.00 C ATOM 143 CG2 VAL A 12 -3.489 -8.370 -5.570 1.00 0.00 C ATOM 0 H VAL A 12 -4.157 -10.793 -5.583 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.635 -10.083 -2.793 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.766 -7.847 -3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.427 -8.580 -3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.256 -9.523 -2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.997 -10.229 -4.183 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.684 -7.653 -5.728 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.303 -9.262 -6.168 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.437 -7.923 -5.870 1.00 0.00 H new ATOM 153 N GLU A 13 -6.646 -8.621 -3.013 1.00 0.00 N ATOM 154 CA GLU A 13 -7.937 -7.951 -3.097 1.00 0.00 C ATOM 155 C GLU A 13 -7.896 -6.635 -2.329 1.00 0.00 C ATOM 156 O GLU A 13 -7.169 -6.513 -1.341 1.00 0.00 O ATOM 157 CB GLU A 13 -9.043 -8.856 -2.540 1.00 0.00 C ATOM 158 CG GLU A 13 -8.883 -9.175 -1.061 1.00 0.00 C ATOM 159 CD GLU A 13 -9.941 -10.129 -0.554 1.00 0.00 C ATOM 160 OE1 GLU A 13 -11.116 -9.717 -0.438 1.00 0.00 O ATOM 161 OE2 GLU A 13 -9.604 -11.300 -0.270 1.00 0.00 O ATOM 0 H GLU A 13 -6.268 -8.683 -2.068 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.154 -7.740 -4.144 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.008 -8.374 -2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.057 -9.788 -3.105 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.897 -9.608 -0.891 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.928 -8.250 -0.487 1.00 0.00 H new ATOM 166 N LEU A 14 -8.662 -5.652 -2.787 1.00 0.00 N ATOM 167 CA LEU A 14 -8.702 -4.355 -2.128 1.00 0.00 C ATOM 168 C LEU A 14 -10.135 -3.880 -1.948 1.00 0.00 C ATOM 169 O LEU A 14 -10.872 -3.706 -2.919 1.00 0.00 O ATOM 170 CB LEU A 14 -7.896 -3.327 -2.928 1.00 0.00 C ATOM 171 CG LEU A 14 -7.881 -1.898 -2.368 1.00 0.00 C ATOM 172 CD1 LEU A 14 -7.593 -1.890 -0.876 1.00 0.00 C ATOM 173 CD2 LEU A 14 -6.845 -1.076 -3.098 1.00 0.00 C ATOM 0 H LEU A 14 -9.261 -5.729 -3.609 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.254 -4.461 -1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.867 -3.678 -3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.293 -3.294 -3.943 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.869 -1.463 -2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.590 -0.863 -0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.363 -2.458 -0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.619 -2.344 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.837 -0.062 -2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.862 -1.527 -2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.088 -1.045 -4.160 1.00 0.00 H new ATOM 184 N TYR A 15 -10.528 -3.686 -0.699 1.00 0.00 N ATOM 185 CA TYR A 15 -11.868 -3.225 -0.384 1.00 0.00 C ATOM 186 C TYR A 15 -11.804 -1.996 0.517 1.00 0.00 C ATOM 187 O TYR A 15 -11.550 -2.105 1.717 1.00 0.00 O ATOM 188 CB TYR A 15 -12.676 -4.344 0.286 1.00 0.00 C ATOM 189 CG TYR A 15 -14.069 -3.928 0.702 1.00 0.00 C ATOM 190 CD1 TYR A 15 -15.028 -3.599 -0.248 1.00 0.00 C ATOM 191 CD2 TYR A 15 -14.422 -3.861 2.044 1.00 0.00 C ATOM 192 CE1 TYR A 15 -16.300 -3.214 0.129 1.00 0.00 C ATOM 193 CE2 TYR A 15 -15.693 -3.479 2.428 1.00 0.00 C ATOM 194 CZ TYR A 15 -16.628 -3.155 1.467 1.00 0.00 C ATOM 195 OH TYR A 15 -17.893 -2.772 1.846 1.00 0.00 O ATOM 0 H TYR A 15 -9.934 -3.842 0.115 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.370 -2.949 -1.311 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -12.749 -5.187 -0.401 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -12.134 -4.694 1.165 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -14.775 -3.645 -1.297 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -13.691 -4.111 2.799 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -17.034 -2.960 -0.621 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -15.953 -3.434 3.475 1.00 0.00 H new ATOM 0 HH TYR A 15 -17.959 -2.784 2.824 1.00 0.00 H new ATOM 204 N GLY A 16 -11.997 -0.828 -0.077 1.00 0.00 N ATOM 205 CA GLY A 16 -11.972 0.408 0.681 1.00 0.00 C ATOM 206 C GLY A 16 -10.563 0.867 1.002 1.00 0.00 C ATOM 207 O GLY A 16 -10.140 1.940 0.578 1.00 0.00 O ATOM 0 H GLY A 16 -12.171 -0.713 -1.075 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.484 1.187 0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.526 0.272 1.610 1.00 0.00 H new ATOM 211 N TYR A 17 -9.846 0.060 1.773 1.00 0.00 N ATOM 212 CA TYR A 17 -8.475 0.375 2.161 1.00 0.00 C ATOM 213 C TYR A 17 -7.776 -0.832 2.789 1.00 0.00 C ATOM 214 O TYR A 17 -6.785 -0.680 3.505 1.00 0.00 O ATOM 215 CB TYR A 17 -8.437 1.576 3.121 1.00 0.00 C ATOM 216 CG TYR A 17 -9.520 1.571 4.182 1.00 0.00 C ATOM 217 CD1 TYR A 17 -9.388 0.824 5.344 1.00 0.00 C ATOM 218 CD2 TYR A 17 -10.674 2.329 4.018 1.00 0.00 C ATOM 219 CE1 TYR A 17 -10.374 0.830 6.312 1.00 0.00 C ATOM 220 CE2 TYR A 17 -11.663 2.340 4.978 1.00 0.00 C ATOM 221 CZ TYR A 17 -11.510 1.590 6.123 1.00 0.00 C ATOM 222 OH TYR A 17 -12.494 1.604 7.084 1.00 0.00 O ATOM 0 H TYR A 17 -10.193 -0.824 2.145 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.934 0.640 1.253 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.465 1.600 3.613 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.522 2.493 2.538 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.500 0.228 5.494 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.798 2.920 3.122 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -10.256 0.243 7.211 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.553 2.934 4.833 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.225 2.190 6.796 1.00 0.00 H new ATOM 231 N ILE A 18 -8.288 -2.028 2.516 1.00 0.00 N ATOM 232 CA ILE A 18 -7.695 -3.251 3.047 1.00 0.00 C ATOM 233 C ILE A 18 -7.169 -4.128 1.911 1.00 0.00 C ATOM 234 O ILE A 18 -7.897 -4.439 0.967 1.00 0.00 O ATOM 235 CB ILE A 18 -8.692 -4.061 3.909 1.00 0.00 C ATOM 236 CG1 ILE A 18 -9.963 -4.396 3.119 1.00 0.00 C ATOM 237 CG2 ILE A 18 -9.037 -3.298 5.181 1.00 0.00 C ATOM 238 CD1 ILE A 18 -10.932 -5.286 3.867 1.00 0.00 C ATOM 0 H ILE A 18 -9.111 -2.177 1.931 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.869 -2.948 3.690 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.213 -5.000 4.185 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.469 -3.468 2.852 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.681 -4.885 2.186 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.739 -3.882 5.776 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.129 -3.124 5.758 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.490 -2.341 4.920 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.805 -5.478 3.243 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.445 -6.230 4.110 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -11.245 -4.791 4.787 1.00 0.00 H new ATOM 249 N LEU A 19 -5.899 -4.502 2.000 1.00 0.00 N ATOM 250 CA LEU A 19 -5.265 -5.332 0.982 1.00 0.00 C ATOM 251 C LEU A 19 -4.961 -6.708 1.541 1.00 0.00 C ATOM 252 O LEU A 19 -4.147 -6.843 2.446 1.00 0.00 O ATOM 253 CB LEU A 19 -3.950 -4.694 0.514 1.00 0.00 C ATOM 254 CG LEU A 19 -3.700 -4.705 -0.995 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.712 -6.122 -1.544 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.729 -3.847 -1.701 1.00 0.00 C ATOM 0 H LEU A 19 -5.284 -4.242 2.771 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.953 -5.417 0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.928 -3.660 0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.124 -5.211 1.003 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.710 -4.288 -1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.532 -6.097 -2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.931 -6.707 -1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.682 -6.579 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.541 -3.863 -2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.727 -4.238 -1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.661 -2.822 -1.336 1.00 0.00 H new ATOM 267 N ARG A 20 -5.604 -7.726 1.015 1.00 0.00 N ATOM 268 CA ARG A 20 -5.342 -9.074 1.472 1.00 0.00 C ATOM 269 C ARG A 20 -4.776 -9.895 0.333 1.00 0.00 C ATOM 270 O ARG A 20 -5.233 -9.789 -0.805 1.00 0.00 O ATOM 271 CB ARG A 20 -6.596 -9.752 2.012 1.00 0.00 C ATOM 272 CG ARG A 20 -6.312 -11.139 2.573 1.00 0.00 C ATOM 273 CD ARG A 20 -7.556 -12.010 2.565 1.00 0.00 C ATOM 274 NE ARG A 20 -8.419 -11.753 3.716 1.00 0.00 N ATOM 275 CZ ARG A 20 -9.737 -11.594 3.649 1.00 0.00 C ATOM 276 NH1 ARG A 20 -10.351 -11.550 2.471 1.00 0.00 N ATOM 277 NH2 ARG A 20 -10.437 -11.470 4.768 1.00 0.00 N ATOM 0 H ARG A 20 -6.305 -7.649 0.278 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.622 -9.010 2.288 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.034 -9.130 2.793 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.335 -9.830 1.215 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.529 -11.617 1.985 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.936 -11.050 3.592 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.116 -11.832 1.647 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.262 -13.060 2.561 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.980 -11.691 4.634 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.810 -11.639 1.611 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.363 -11.428 2.427 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.964 -11.497 5.671 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.449 -11.348 4.726 1.00 0.00 H new ATOM 288 N GLY A 21 -3.782 -10.700 0.640 1.00 0.00 N ATOM 289 CA GLY A 21 -3.171 -11.535 -0.367 1.00 0.00 C ATOM 290 C GLY A 21 -2.411 -12.684 0.245 1.00 0.00 C ATOM 291 O GLY A 21 -2.190 -12.710 1.456 1.00 0.00 O ATOM 0 H GLY A 21 -3.383 -10.793 1.574 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.941 -11.923 -1.034 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.495 -10.935 -0.976 1.00 0.00 H new ATOM 295 N ASP A 22 -2.021 -13.637 -0.578 1.00 0.00 N ATOM 296 CA ASP A 22 -1.277 -14.789 -0.107 1.00 0.00 C ATOM 297 C ASP A 22 0.195 -14.620 -0.431 1.00 0.00 C ATOM 298 O ASP A 22 0.588 -14.686 -1.598 1.00 0.00 O ATOM 299 CB ASP A 22 -1.791 -16.079 -0.750 1.00 0.00 C ATOM 300 CG ASP A 22 -3.135 -16.525 -0.211 1.00 0.00 C ATOM 301 OD1 ASP A 22 -3.170 -17.198 0.840 1.00 0.00 O ATOM 302 OD2 ASP A 22 -4.163 -16.235 -0.854 1.00 0.00 O ATOM 0 H ASP A 22 -2.208 -13.636 -1.581 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.414 -14.860 0.972 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.870 -15.933 -1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.061 -16.873 -0.589 1.00 0.00 H new ATOM 306 N CYS A 23 1.004 -14.401 0.592 1.00 0.00 N ATOM 307 CA CYS A 23 2.436 -14.227 0.405 1.00 0.00 C ATOM 308 C CYS A 23 3.189 -15.459 0.890 1.00 0.00 C ATOM 309 O CYS A 23 2.934 -15.967 1.980 1.00 0.00 O ATOM 310 CB CYS A 23 2.934 -12.979 1.139 1.00 0.00 C ATOM 311 SG CYS A 23 3.237 -11.540 0.060 1.00 0.00 S ATOM 0 H CYS A 23 0.694 -14.339 1.562 1.00 0.00 H new ATOM 0 HA CYS A 23 2.626 -14.097 -0.660 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.201 -12.702 1.897 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.857 -13.225 1.663 1.00 0.00 H new ATOM 315 N ILE A 24 4.124 -15.924 0.074 1.00 0.00 N ATOM 316 CA ILE A 24 4.916 -17.107 0.383 1.00 0.00 C ATOM 317 C ILE A 24 5.853 -16.857 1.562 1.00 0.00 C ATOM 318 O ILE A 24 6.446 -15.782 1.685 1.00 0.00 O ATOM 319 CB ILE A 24 5.739 -17.551 -0.846 1.00 0.00 C ATOM 320 CG1 ILE A 24 4.816 -17.737 -2.053 1.00 0.00 C ATOM 321 CG2 ILE A 24 6.499 -18.835 -0.553 1.00 0.00 C ATOM 322 CD1 ILE A 24 5.535 -18.161 -3.315 1.00 0.00 C ATOM 0 H ILE A 24 4.355 -15.492 -0.821 1.00 0.00 H new ATOM 0 HA ILE A 24 4.220 -17.901 0.655 1.00 0.00 H new ATOM 0 HB ILE A 24 6.468 -16.774 -1.075 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.061 -18.484 -1.809 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.290 -16.802 -2.243 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.071 -19.128 -1.433 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.178 -18.673 0.284 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.793 -19.626 -0.299 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.814 -18.272 -4.125 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.271 -17.404 -3.586 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.038 -19.113 -3.145 1.00 0.00 H new ATOM 333 N ASN A 25 5.969 -17.855 2.429 1.00 0.00 N ATOM 334 CA ASN A 25 6.828 -17.762 3.601 1.00 0.00 C ATOM 335 C ASN A 25 7.998 -18.733 3.456 1.00 0.00 C ATOM 336 O ASN A 25 8.210 -19.277 2.372 1.00 0.00 O ATOM 337 CB ASN A 25 6.024 -18.058 4.877 1.00 0.00 C ATOM 338 CG ASN A 25 5.689 -19.526 5.045 1.00 0.00 C ATOM 339 OD1 ASN A 25 6.381 -20.253 5.753 1.00 0.00 O ATOM 340 ND2 ASN A 25 4.635 -19.974 4.387 1.00 0.00 N ATOM 0 H ASN A 25 5.475 -18.743 2.341 1.00 0.00 H new ATOM 0 HA ASN A 25 7.222 -16.749 3.680 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.593 -17.720 5.743 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.099 -17.481 4.858 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.370 -20.957 4.457 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.086 -19.337 3.809 1.00 0.00 H new ATOM 346 N GLU A 26 8.745 -18.956 4.535 1.00 0.00 N ATOM 347 CA GLU A 26 9.891 -19.868 4.510 1.00 0.00 C ATOM 348 C GLU A 26 9.489 -21.270 4.039 1.00 0.00 C ATOM 349 O GLU A 26 10.260 -21.952 3.360 1.00 0.00 O ATOM 350 CB GLU A 26 10.536 -19.943 5.897 1.00 0.00 C ATOM 351 CG GLU A 26 11.579 -21.036 6.032 1.00 0.00 C ATOM 352 CD GLU A 26 12.360 -20.946 7.325 1.00 0.00 C ATOM 353 OE1 GLU A 26 11.780 -21.204 8.400 1.00 0.00 O ATOM 354 OE2 GLU A 26 13.562 -20.620 7.270 1.00 0.00 O ATOM 0 H GLU A 26 8.578 -18.517 5.441 1.00 0.00 H new ATOM 0 HA GLU A 26 10.614 -19.472 3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.999 -18.983 6.124 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.756 -20.105 6.641 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.089 -22.008 5.976 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.270 -20.978 5.191 1.00 0.00 H new ATOM 359 N ASP A 27 8.275 -21.681 4.384 1.00 0.00 N ATOM 360 CA ASP A 27 7.764 -22.997 4.005 1.00 0.00 C ATOM 361 C ASP A 27 7.725 -23.169 2.491 1.00 0.00 C ATOM 362 O ASP A 27 7.854 -24.281 1.980 1.00 0.00 O ATOM 363 CB ASP A 27 6.365 -23.215 4.583 1.00 0.00 C ATOM 364 CG ASP A 27 5.824 -24.605 4.292 1.00 0.00 C ATOM 365 OD1 ASP A 27 6.204 -25.559 5.003 1.00 0.00 O ATOM 366 OD2 ASP A 27 5.015 -24.750 3.355 1.00 0.00 O ATOM 0 H ASP A 27 7.621 -21.120 4.929 1.00 0.00 H new ATOM 0 HA ASP A 27 8.446 -23.741 4.416 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.393 -23.058 5.661 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.685 -22.470 4.170 1.00 0.00 H new ATOM 370 N GLY A 28 7.562 -22.065 1.773 1.00 0.00 N ATOM 371 CA GLY A 28 7.501 -22.129 0.326 1.00 0.00 C ATOM 372 C GLY A 28 6.077 -22.093 -0.172 1.00 0.00 C ATOM 373 O GLY A 28 5.825 -22.065 -1.376 1.00 0.00 O ATOM 0 H GLY A 28 7.471 -21.128 2.166 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.057 -21.294 -0.099 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.985 -23.043 -0.019 1.00 0.00 H new ATOM 377 N HIS A 29 5.147 -22.090 0.768 1.00 0.00 N ATOM 378 CA HIS A 29 3.731 -22.048 0.452 1.00 0.00 C ATOM 379 C HIS A 29 3.154 -20.676 0.780 1.00 0.00 C ATOM 380 O HIS A 29 3.588 -20.015 1.729 1.00 0.00 O ATOM 381 CB HIS A 29 2.986 -23.143 1.219 1.00 0.00 C ATOM 382 CG HIS A 29 3.140 -24.509 0.620 1.00 0.00 C ATOM 383 ND1 HIS A 29 2.070 -25.284 0.233 1.00 0.00 N ATOM 384 CD2 HIS A 29 4.249 -25.232 0.330 1.00 0.00 C ATOM 385 CE1 HIS A 29 2.511 -26.421 -0.270 1.00 0.00 C ATOM 386 NE2 HIS A 29 3.829 -26.415 -0.223 1.00 0.00 N ATOM 0 H HIS A 29 5.352 -22.116 1.767 1.00 0.00 H new ATOM 0 HA HIS A 29 3.605 -22.226 -0.616 1.00 0.00 H new ATOM 0 HB2 HIS A 29 3.347 -23.164 2.247 1.00 0.00 H new ATOM 0 HB3 HIS A 29 1.926 -22.890 1.258 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.272 -24.933 0.502 1.00 0.00 H new ATOM 0 HE1 HIS A 29 1.897 -27.221 -0.655 1.00 0.00 H new ATOM 0 HE2 HIS A 29 4.437 -27.168 -0.545 1.00 0.00 H new ATOM 394 N PRO A 30 2.198 -20.216 -0.035 1.00 0.00 N ATOM 395 CA PRO A 30 1.541 -18.917 0.144 1.00 0.00 C ATOM 396 C PRO A 30 0.721 -18.840 1.434 1.00 0.00 C ATOM 397 O PRO A 30 -0.114 -19.705 1.708 1.00 0.00 O ATOM 398 CB PRO A 30 0.629 -18.802 -1.084 1.00 0.00 C ATOM 399 CG PRO A 30 0.428 -20.197 -1.555 1.00 0.00 C ATOM 400 CD PRO A 30 1.689 -20.930 -1.221 1.00 0.00 C ATOM 0 HA PRO A 30 2.267 -18.108 0.229 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.321 -18.333 -0.826 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.088 -18.188 -1.859 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.431 -20.655 -1.064 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.234 -20.223 -2.627 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.497 -21.981 -1.005 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.402 -20.899 -2.045 1.00 0.00 H new ATOM 405 N HIS A 31 0.970 -17.800 2.217 1.00 0.00 N ATOM 406 CA HIS A 31 0.276 -17.584 3.480 1.00 0.00 C ATOM 407 C HIS A 31 -0.574 -16.316 3.402 1.00 0.00 C ATOM 408 O HIS A 31 -0.096 -15.266 2.974 1.00 0.00 O ATOM 409 CB HIS A 31 1.289 -17.478 4.631 1.00 0.00 C ATOM 410 CG HIS A 31 0.670 -17.164 5.962 1.00 0.00 C ATOM 411 ND1 HIS A 31 0.930 -16.003 6.655 1.00 0.00 N ATOM 412 CD2 HIS A 31 -0.197 -17.870 6.727 1.00 0.00 C ATOM 413 CE1 HIS A 31 0.247 -16.006 7.785 1.00 0.00 C ATOM 414 NE2 HIS A 31 -0.447 -17.127 7.854 1.00 0.00 N ATOM 0 H HIS A 31 1.659 -17.081 1.995 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.380 -18.433 3.671 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.835 -18.418 4.709 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.018 -16.705 4.389 1.00 0.00 H new ATOM 0 HD1 HIS A 31 1.553 -15.257 6.344 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.614 -18.838 6.493 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.255 -15.223 8.528 1.00 0.00 H new ATOM 422 N ALA A 32 -1.826 -16.429 3.818 1.00 0.00 N ATOM 423 CA ALA A 32 -2.754 -15.310 3.792 1.00 0.00 C ATOM 424 C ALA A 32 -2.322 -14.195 4.740 1.00 0.00 C ATOM 425 O ALA A 32 -2.071 -14.424 5.925 1.00 0.00 O ATOM 426 CB ALA A 32 -4.154 -15.787 4.141 1.00 0.00 C ATOM 0 H ALA A 32 -2.225 -17.294 4.181 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.754 -14.900 2.782 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.842 -14.942 4.119 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.475 -16.535 3.416 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.151 -16.226 5.139 1.00 0.00 H new ATOM 432 N THR A 33 -2.237 -12.992 4.203 1.00 0.00 N ATOM 433 CA THR A 33 -1.844 -11.821 4.967 1.00 0.00 C ATOM 434 C THR A 33 -2.657 -10.617 4.506 1.00 0.00 C ATOM 435 O THR A 33 -3.207 -10.617 3.404 1.00 0.00 O ATOM 436 CB THR A 33 -0.338 -11.532 4.798 1.00 0.00 C ATOM 437 OG1 THR A 33 0.062 -10.444 5.641 1.00 0.00 O ATOM 438 CG2 THR A 33 -0.019 -11.204 3.349 1.00 0.00 C ATOM 0 H THR A 33 -2.439 -12.798 3.222 1.00 0.00 H new ATOM 0 HA THR A 33 -2.038 -12.013 6.022 1.00 0.00 H new ATOM 0 HB THR A 33 0.215 -12.426 5.088 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.750 -10.751 6.267 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.047 -11.003 3.248 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.290 -12.049 2.716 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.585 -10.324 3.042 1.00 0.00 H new ATOM 446 N SER A 34 -2.741 -9.600 5.344 1.00 0.00 N ATOM 447 CA SER A 34 -3.497 -8.411 4.997 1.00 0.00 C ATOM 448 C SER A 34 -2.779 -7.149 5.444 1.00 0.00 C ATOM 449 O SER A 34 -2.029 -7.164 6.421 1.00 0.00 O ATOM 450 CB SER A 34 -4.881 -8.485 5.625 1.00 0.00 C ATOM 451 OG SER A 34 -4.802 -8.737 7.018 1.00 0.00 O ATOM 0 H SER A 34 -2.299 -9.573 6.263 1.00 0.00 H new ATOM 0 HA SER A 34 -3.593 -8.368 3.912 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.412 -7.549 5.452 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.460 -9.273 5.143 1.00 0.00 H new ATOM 0 HG SER A 34 -5.706 -8.778 7.395 1.00 0.00 H new ATOM 456 N ILE A 35 -2.999 -6.064 4.714 1.00 0.00 N ATOM 457 CA ILE A 35 -2.383 -4.794 5.028 1.00 0.00 C ATOM 458 C ILE A 35 -3.418 -3.679 4.946 1.00 0.00 C ATOM 459 O ILE A 35 -4.292 -3.695 4.080 1.00 0.00 O ATOM 460 CB ILE A 35 -1.226 -4.436 4.062 1.00 0.00 C ATOM 461 CG1 ILE A 35 -0.334 -5.644 3.775 1.00 0.00 C ATOM 462 CG2 ILE A 35 -0.387 -3.303 4.631 1.00 0.00 C ATOM 463 CD1 ILE A 35 -0.721 -6.411 2.528 1.00 0.00 C ATOM 0 H ILE A 35 -3.606 -6.045 3.894 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.979 -4.889 6.036 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.677 -4.116 3.122 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.698 -5.306 3.676 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.368 -6.319 4.630 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.421 -3.065 3.939 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.013 -2.423 4.774 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.034 -3.608 5.589 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.042 -7.253 2.393 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.741 -6.781 2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.659 -5.752 1.662 1.00 0.00 H new ATOM 474 N ASN A 36 -3.315 -2.709 5.835 1.00 0.00 N ATOM 475 CA ASN A 36 -4.241 -1.586 5.833 1.00 0.00 C ATOM 476 C ASN A 36 -3.574 -0.384 5.174 1.00 0.00 C ATOM 477 O ASN A 36 -2.830 0.354 5.820 1.00 0.00 O ATOM 478 CB ASN A 36 -4.678 -1.234 7.259 1.00 0.00 C ATOM 479 CG ASN A 36 -6.006 -0.508 7.296 1.00 0.00 C ATOM 480 OD1 ASN A 36 -6.910 -0.875 6.415 1.00 0.00 O flip ATOM 481 ND2 ASN A 36 -6.231 0.362 8.127 1.00 0.00 N flip ATOM 0 H ASN A 36 -2.604 -2.673 6.565 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.131 -1.864 5.269 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.750 -2.147 7.849 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.915 -0.612 7.726 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.509 0.625 8.798 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.140 0.824 8.149 1.00 0.00 H new ATOM 487 N LEU A 37 -3.857 -0.189 3.886 1.00 0.00 N ATOM 488 CA LEU A 37 -3.264 0.904 3.108 1.00 0.00 C ATOM 489 C LEU A 37 -3.601 2.258 3.709 1.00 0.00 C ATOM 490 O LEU A 37 -2.895 3.238 3.483 1.00 0.00 O ATOM 491 CB LEU A 37 -3.749 0.890 1.646 1.00 0.00 C ATOM 492 CG LEU A 37 -3.507 -0.391 0.845 1.00 0.00 C ATOM 493 CD1 LEU A 37 -2.143 -0.990 1.151 1.00 0.00 C ATOM 494 CD2 LEU A 37 -4.619 -1.387 1.105 1.00 0.00 C ATOM 0 H LEU A 37 -4.498 -0.778 3.354 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.186 0.747 3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.820 1.094 1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.266 1.714 1.121 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.513 -0.138 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.005 -1.898 0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.364 -0.271 0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.081 -1.230 2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.436 -2.295 0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.649 -1.630 2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.573 -0.953 0.805 1.00 0.00 H new ATOM 505 N ASN A 38 -4.679 2.301 4.478 1.00 0.00 N ATOM 506 CA ASN A 38 -5.133 3.538 5.099 1.00 0.00 C ATOM 507 C ASN A 38 -4.038 4.197 5.937 1.00 0.00 C ATOM 508 O ASN A 38 -4.008 5.415 6.066 1.00 0.00 O ATOM 509 CB ASN A 38 -6.370 3.281 5.969 1.00 0.00 C ATOM 510 CG ASN A 38 -6.944 4.561 6.560 1.00 0.00 C ATOM 511 OD1 ASN A 38 -6.551 4.991 7.643 1.00 0.00 O ATOM 512 ND2 ASN A 38 -7.890 5.169 5.857 1.00 0.00 N ATOM 0 H ASN A 38 -5.259 1.489 4.688 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.393 4.223 4.292 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.135 2.786 5.370 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.106 2.598 6.777 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.318 6.024 6.211 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.189 4.781 4.962 1.00 0.00 H new ATOM 518 N TYR A 39 -3.124 3.406 6.482 1.00 0.00 N ATOM 519 CA TYR A 39 -2.059 3.960 7.310 1.00 0.00 C ATOM 520 C TYR A 39 -0.707 3.913 6.605 1.00 0.00 C ATOM 521 O TYR A 39 0.331 4.131 7.234 1.00 0.00 O ATOM 522 CB TYR A 39 -1.976 3.212 8.643 1.00 0.00 C ATOM 523 CG TYR A 39 -3.248 3.282 9.460 1.00 0.00 C ATOM 524 CD1 TYR A 39 -3.513 4.370 10.281 1.00 0.00 C ATOM 525 CD2 TYR A 39 -4.184 2.260 9.405 1.00 0.00 C ATOM 526 CE1 TYR A 39 -4.677 4.435 11.025 1.00 0.00 C ATOM 527 CE2 TYR A 39 -5.349 2.316 10.142 1.00 0.00 C ATOM 528 CZ TYR A 39 -5.591 3.405 10.953 1.00 0.00 C ATOM 529 OH TYR A 39 -6.753 3.467 11.690 1.00 0.00 O ATOM 0 H TYR A 39 -3.097 2.393 6.369 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.303 5.006 7.495 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.737 2.167 8.449 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.155 3.623 9.230 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.799 5.178 10.339 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.997 1.404 8.773 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.869 5.288 11.659 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.067 1.512 10.084 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.288 2.663 11.525 1.00 0.00 H new ATOM 538 N TYR A 40 -0.711 3.620 5.310 1.00 0.00 N ATOM 539 CA TYR A 40 0.536 3.555 4.550 1.00 0.00 C ATOM 540 C TYR A 40 0.472 4.386 3.284 1.00 0.00 C ATOM 541 O TYR A 40 1.467 4.540 2.594 1.00 0.00 O ATOM 542 CB TYR A 40 0.904 2.101 4.236 1.00 0.00 C ATOM 543 CG TYR A 40 1.058 1.246 5.476 1.00 0.00 C ATOM 544 CD1 TYR A 40 1.988 1.576 6.457 1.00 0.00 C ATOM 545 CD2 TYR A 40 0.263 0.127 5.679 1.00 0.00 C ATOM 546 CE1 TYR A 40 2.121 0.812 7.600 1.00 0.00 C ATOM 547 CE2 TYR A 40 0.389 -0.641 6.820 1.00 0.00 C ATOM 548 CZ TYR A 40 1.318 -0.295 7.778 1.00 0.00 C ATOM 549 OH TYR A 40 1.448 -1.061 8.915 1.00 0.00 O ATOM 0 H TYR A 40 -1.552 3.425 4.767 1.00 0.00 H new ATOM 0 HA TYR A 40 1.321 3.982 5.174 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.135 1.668 3.597 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.836 2.082 3.671 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.616 2.444 6.322 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.467 -0.148 4.932 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.850 1.080 8.350 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.238 -1.509 6.961 1.00 0.00 H new ATOM 0 HH TYR A 40 0.808 -1.802 8.885 1.00 0.00 H new ATOM 558 N ILE A 41 -0.694 4.915 2.975 1.00 0.00 N ATOM 559 CA ILE A 41 -0.846 5.766 1.818 1.00 0.00 C ATOM 560 C ILE A 41 -1.536 7.049 2.235 1.00 0.00 C ATOM 561 O ILE A 41 -2.519 7.026 2.982 1.00 0.00 O ATOM 562 CB ILE A 41 -1.635 5.110 0.663 1.00 0.00 C ATOM 563 CG1 ILE A 41 -0.785 4.078 -0.085 1.00 0.00 C ATOM 564 CG2 ILE A 41 -2.114 6.176 -0.306 1.00 0.00 C ATOM 565 CD1 ILE A 41 -0.662 2.750 0.618 1.00 0.00 C ATOM 0 H ILE A 41 -1.550 4.769 3.511 1.00 0.00 H new ATOM 0 HA ILE A 41 0.156 5.961 1.435 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.491 4.593 1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.218 3.915 -1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.213 4.489 -0.238 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.670 5.707 -1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.762 6.879 0.218 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.255 6.709 -0.715 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.045 2.078 0.021 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.200 2.897 1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.652 2.314 0.747 1.00 0.00 H new ATOM 576 N GLY A 42 -0.997 8.163 1.782 1.00 0.00 N ATOM 577 CA GLY A 42 -1.565 9.447 2.116 1.00 0.00 C ATOM 578 C GLY A 42 -2.181 10.129 0.924 1.00 0.00 C ATOM 579 O GLY A 42 -2.102 9.630 -0.199 1.00 0.00 O ATOM 0 H GLY A 42 -0.171 8.202 1.185 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.323 9.316 2.888 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.789 10.087 2.536 1.00 0.00 H new ATOM 583 N ASN A 43 -2.785 11.275 1.168 1.00 0.00 N ATOM 584 CA ASN A 43 -3.428 12.036 0.111 1.00 0.00 C ATOM 585 C ASN A 43 -2.717 13.362 -0.079 1.00 0.00 C ATOM 586 O ASN A 43 -2.902 14.298 0.700 1.00 0.00 O ATOM 587 CB ASN A 43 -4.904 12.265 0.453 1.00 0.00 C ATOM 588 CG ASN A 43 -5.599 13.214 -0.507 1.00 0.00 C ATOM 589 OD1 ASN A 43 -5.246 13.315 -1.682 1.00 0.00 O ATOM 590 ND2 ASN A 43 -6.601 13.918 -0.007 1.00 0.00 N ATOM 0 H ASN A 43 -2.845 11.702 2.092 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.370 11.472 -0.820 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.424 11.307 0.448 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.979 12.663 1.465 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.111 14.572 -0.601 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.864 13.806 0.972 1.00 0.00 H new ATOM 596 N ASP A 44 -1.893 13.436 -1.108 1.00 0.00 N ATOM 597 CA ASP A 44 -1.158 14.655 -1.395 1.00 0.00 C ATOM 598 C ASP A 44 -1.662 15.285 -2.686 1.00 0.00 C ATOM 599 O ASP A 44 -1.424 14.764 -3.775 1.00 0.00 O ATOM 600 CB ASP A 44 0.343 14.372 -1.477 1.00 0.00 C ATOM 601 CG ASP A 44 1.147 15.629 -1.757 1.00 0.00 C ATOM 602 OD1 ASP A 44 1.398 16.401 -0.804 1.00 0.00 O ATOM 603 OD2 ASP A 44 1.523 15.859 -2.922 1.00 0.00 O ATOM 0 H ASP A 44 -1.716 12.669 -1.757 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.324 15.361 -0.581 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.679 13.928 -0.540 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.531 13.640 -2.262 1.00 0.00 H new ATOM 607 N ASN A 45 -2.391 16.395 -2.543 1.00 0.00 N ATOM 608 CA ASN A 45 -2.952 17.126 -3.680 1.00 0.00 C ATOM 609 C ASN A 45 -3.834 16.204 -4.527 1.00 0.00 C ATOM 610 O ASN A 45 -3.737 16.168 -5.752 1.00 0.00 O ATOM 611 CB ASN A 45 -1.825 17.751 -4.518 1.00 0.00 C ATOM 612 CG ASN A 45 -2.307 18.790 -5.517 1.00 0.00 C ATOM 613 OD1 ASN A 45 -2.617 18.473 -6.661 1.00 0.00 O ATOM 614 ND2 ASN A 45 -2.356 20.043 -5.098 1.00 0.00 N ATOM 0 H ASN A 45 -2.608 16.811 -1.637 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.581 17.934 -3.306 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.100 18.214 -3.848 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.302 16.959 -5.055 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.659 20.782 -5.733 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.091 20.271 -4.140 1.00 0.00 H new ATOM 620 N GLY A 46 -4.678 15.430 -3.850 1.00 0.00 N ATOM 621 CA GLY A 46 -5.583 14.524 -4.537 1.00 0.00 C ATOM 622 C GLY A 46 -4.867 13.358 -5.185 1.00 0.00 C ATOM 623 O GLY A 46 -5.401 12.720 -6.090 1.00 0.00 O ATOM 0 H GLY A 46 -4.751 15.414 -2.833 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.317 14.144 -3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.133 15.076 -5.299 1.00 0.00 H new ATOM 627 N ARG A 47 -3.656 13.086 -4.727 1.00 0.00 N ATOM 628 CA ARG A 47 -2.861 12.002 -5.275 1.00 0.00 C ATOM 629 C ARG A 47 -2.426 11.029 -4.188 1.00 0.00 C ATOM 630 O ARG A 47 -2.223 11.415 -3.035 1.00 0.00 O ATOM 631 CB ARG A 47 -1.639 12.566 -5.994 1.00 0.00 C ATOM 632 CG ARG A 47 -1.689 12.391 -7.500 1.00 0.00 C ATOM 633 CD ARG A 47 -2.920 13.046 -8.120 1.00 0.00 C ATOM 634 NE ARG A 47 -2.929 14.497 -7.930 1.00 0.00 N ATOM 635 CZ ARG A 47 -2.826 15.374 -8.928 1.00 0.00 C ATOM 636 NH1 ARG A 47 -2.641 14.948 -10.172 1.00 0.00 N ATOM 637 NH2 ARG A 47 -2.877 16.673 -8.678 1.00 0.00 N ATOM 0 H ARG A 47 -3.202 13.604 -3.975 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.479 11.455 -5.987 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.549 13.627 -5.762 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.743 12.078 -5.609 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.790 12.820 -7.943 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.686 11.328 -7.740 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.951 12.821 -9.186 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.819 12.618 -7.677 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.019 14.857 -6.980 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.578 13.948 -10.365 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.562 15.620 -10.935 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.995 17.004 -7.720 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.798 17.343 -9.443 1.00 0.00 H new ATOM 648 N LEU A 48 -2.288 9.771 -4.576 1.00 0.00 N ATOM 649 CA LEU A 48 -1.872 8.712 -3.664 1.00 0.00 C ATOM 650 C LEU A 48 -0.392 8.846 -3.321 1.00 0.00 C ATOM 651 O LEU A 48 0.459 8.855 -4.212 1.00 0.00 O ATOM 652 CB LEU A 48 -2.142 7.341 -4.301 1.00 0.00 C ATOM 653 CG LEU A 48 -3.530 6.749 -4.050 1.00 0.00 C ATOM 654 CD1 LEU A 48 -4.622 7.736 -4.412 1.00 0.00 C ATOM 655 CD2 LEU A 48 -3.699 5.468 -4.845 1.00 0.00 C ATOM 0 H LEU A 48 -2.460 9.454 -5.530 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.448 8.801 -2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.994 7.427 -5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.396 6.637 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.617 6.527 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.597 7.286 -4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.514 8.636 -3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.542 7.997 -5.467 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.690 5.053 -4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.587 5.682 -5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.941 4.747 -4.539 1.00 0.00 H new ATOM 666 N GLU A 49 -0.093 8.963 -2.034 1.00 0.00 N ATOM 667 CA GLU A 49 1.282 9.095 -1.580 1.00 0.00 C ATOM 668 C GLU A 49 1.722 7.841 -0.812 1.00 0.00 C ATOM 669 O GLU A 49 1.095 7.437 0.161 1.00 0.00 O ATOM 670 CB GLU A 49 1.434 10.361 -0.734 1.00 0.00 C ATOM 671 CG GLU A 49 2.869 10.702 -0.381 1.00 0.00 C ATOM 672 CD GLU A 49 2.970 11.696 0.759 1.00 0.00 C ATOM 673 OE1 GLU A 49 2.502 12.839 0.601 1.00 0.00 O ATOM 674 OE2 GLU A 49 3.529 11.339 1.815 1.00 0.00 O ATOM 0 H GLU A 49 -0.787 8.969 -1.286 1.00 0.00 H new ATOM 0 HA GLU A 49 1.936 9.189 -2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.995 11.200 -1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.864 10.240 0.187 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.399 9.789 -0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.368 11.111 -1.260 1.00 0.00 H new ATOM 679 N TYR A 50 2.814 7.258 -1.290 1.00 0.00 N ATOM 680 CA TYR A 50 3.421 6.022 -0.774 1.00 0.00 C ATOM 681 C TYR A 50 3.605 5.870 0.658 1.00 0.00 C ATOM 682 O TYR A 50 3.643 4.725 1.099 1.00 0.00 O ATOM 683 CB TYR A 50 4.707 5.686 -1.541 1.00 0.00 C ATOM 684 CG TYR A 50 5.813 6.712 -1.434 1.00 0.00 C ATOM 685 CD1 TYR A 50 5.793 7.877 -2.191 1.00 0.00 C ATOM 686 CD2 TYR A 50 6.884 6.504 -0.578 1.00 0.00 C ATOM 687 CE1 TYR A 50 6.811 8.806 -2.094 1.00 0.00 C ATOM 688 CE2 TYR A 50 7.903 7.425 -0.475 1.00 0.00 C ATOM 689 CZ TYR A 50 7.864 8.574 -1.233 1.00 0.00 C ATOM 690 OH TYR A 50 8.885 9.491 -1.129 1.00 0.00 O ATOM 0 H TYR A 50 3.328 7.644 -2.082 1.00 0.00 H new ATOM 0 HA TYR A 50 2.638 5.289 -0.967 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.086 4.730 -1.180 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.458 5.554 -2.594 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.969 8.059 -2.865 1.00 0.00 H new ATOM 0 HD2 TYR A 50 6.920 5.604 0.018 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.783 9.708 -2.688 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.729 7.247 0.197 1.00 0.00 H new ATOM 0 HH TYR A 50 8.843 10.114 -1.884 1.00 0.00 H new ATOM 699 N PRO A 51 3.774 6.858 1.456 1.00 0.00 N ATOM 700 CA PRO A 51 3.902 6.462 2.783 1.00 0.00 C ATOM 701 C PRO A 51 2.985 7.126 3.769 1.00 0.00 C ATOM 702 O PRO A 51 3.089 6.976 4.987 1.00 0.00 O ATOM 703 CB PRO A 51 5.264 6.926 2.973 1.00 0.00 C ATOM 704 CG PRO A 51 5.338 8.259 2.272 1.00 0.00 C ATOM 705 CD PRO A 51 4.255 8.211 1.233 1.00 0.00 C ATOM 0 HA PRO A 51 3.665 5.411 2.950 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.500 7.026 4.032 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.981 6.221 2.552 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.180 9.081 2.970 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.316 8.412 1.816 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.483 8.963 1.397 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.636 8.360 0.223 1.00 0.00 H new ATOM 710 N GLY A 52 2.147 7.870 3.182 1.00 0.00 N ATOM 711 CA GLY A 52 1.176 8.681 3.845 1.00 0.00 C ATOM 712 C GLY A 52 0.239 7.953 4.792 1.00 0.00 C ATOM 713 O GLY A 52 0.369 6.753 5.028 1.00 0.00 O ATOM 0 H GLY A 52 2.103 7.947 2.166 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.700 9.455 4.406 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.576 9.187 3.089 1.00 0.00 H new ATOM 717 N GLU A 53 -0.726 8.691 5.329 1.00 0.00 N ATOM 718 CA GLU A 53 -1.700 8.128 6.252 1.00 0.00 C ATOM 719 C GLU A 53 -3.053 8.820 6.120 1.00 0.00 C ATOM 720 O GLU A 53 -3.127 10.026 5.873 1.00 0.00 O ATOM 721 CB GLU A 53 -1.208 8.247 7.699 1.00 0.00 C ATOM 722 CG GLU A 53 -0.023 7.353 8.022 1.00 0.00 C ATOM 723 CD GLU A 53 0.441 7.492 9.454 1.00 0.00 C ATOM 724 OE1 GLU A 53 -0.207 6.917 10.350 1.00 0.00 O ATOM 725 OE2 GLU A 53 1.453 8.183 9.693 1.00 0.00 O ATOM 0 H GLU A 53 -0.853 9.685 5.139 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.818 7.075 5.996 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.933 9.283 7.895 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.029 8.003 8.373 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.294 6.315 7.832 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.802 7.595 7.352 1.00 0.00 H new ATOM 730 N SER A 54 -4.110 8.027 6.278 1.00 0.00 N ATOM 731 CA SER A 54 -5.491 8.499 6.225 1.00 0.00 C ATOM 732 C SER A 54 -5.885 9.012 4.833 1.00 0.00 C ATOM 733 O SER A 54 -6.537 10.050 4.705 1.00 0.00 O ATOM 734 CB SER A 54 -5.722 9.580 7.290 1.00 0.00 C ATOM 735 OG SER A 54 -7.103 9.864 7.458 1.00 0.00 O ATOM 0 H SER A 54 -4.030 7.025 6.449 1.00 0.00 H new ATOM 0 HA SER A 54 -6.134 7.645 6.436 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.300 9.252 8.240 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.195 10.491 7.005 1.00 0.00 H new ATOM 0 HG SER A 54 -7.214 10.555 8.144 1.00 0.00 H new ATOM 740 N PHE A 55 -5.503 8.287 3.785 1.00 0.00 N ATOM 741 CA PHE A 55 -5.864 8.698 2.430 1.00 0.00 C ATOM 742 C PHE A 55 -7.344 8.409 2.179 1.00 0.00 C ATOM 743 O PHE A 55 -8.050 9.209 1.572 1.00 0.00 O ATOM 744 CB PHE A 55 -4.993 7.993 1.372 1.00 0.00 C ATOM 745 CG PHE A 55 -5.375 6.564 1.089 1.00 0.00 C ATOM 746 CD1 PHE A 55 -5.137 5.563 2.016 1.00 0.00 C ATOM 747 CD2 PHE A 55 -5.976 6.227 -0.112 1.00 0.00 C ATOM 748 CE1 PHE A 55 -5.492 4.256 1.749 1.00 0.00 C ATOM 749 CE2 PHE A 55 -6.333 4.922 -0.385 1.00 0.00 C ATOM 750 CZ PHE A 55 -6.092 3.935 0.547 1.00 0.00 C ATOM 0 H PHE A 55 -4.955 7.429 3.843 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.684 9.769 2.342 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.046 8.559 0.442 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.954 8.018 1.702 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.669 5.808 2.958 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.168 6.996 -0.845 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.301 3.484 2.480 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.800 4.675 -1.327 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.372 2.913 0.338 1.00 0.00 H new ATOM 759 N GLY A 56 -7.813 7.282 2.720 1.00 0.00 N ATOM 760 CA GLY A 56 -9.196 6.859 2.543 1.00 0.00 C ATOM 761 C GLY A 56 -10.210 7.897 2.989 1.00 0.00 C ATOM 762 O GLY A 56 -11.371 7.844 2.590 1.00 0.00 O ATOM 0 H GLY A 56 -7.250 6.647 3.285 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.365 6.627 1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.360 5.938 3.103 1.00 0.00 H new ATOM 766 N SER A 57 -9.767 8.839 3.810 1.00 0.00 N ATOM 767 CA SER A 57 -10.629 9.899 4.306 1.00 0.00 C ATOM 768 C SER A 57 -11.136 10.776 3.155 1.00 0.00 C ATOM 769 O SER A 57 -12.163 11.447 3.278 1.00 0.00 O ATOM 770 CB SER A 57 -9.858 10.742 5.327 1.00 0.00 C ATOM 771 OG SER A 57 -10.688 11.709 5.948 1.00 0.00 O ATOM 0 H SER A 57 -8.806 8.889 4.148 1.00 0.00 H new ATOM 0 HA SER A 57 -11.498 9.453 4.789 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.430 10.089 6.087 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.026 11.242 4.831 1.00 0.00 H new ATOM 0 HG SER A 57 -10.162 12.226 6.593 1.00 0.00 H new ATOM 776 N SER A 58 -10.416 10.772 2.035 1.00 0.00 N ATOM 777 CA SER A 58 -10.806 11.565 0.877 1.00 0.00 C ATOM 778 C SER A 58 -10.497 10.827 -0.426 1.00 0.00 C ATOM 779 O SER A 58 -10.434 11.440 -1.496 1.00 0.00 O ATOM 780 CB SER A 58 -10.080 12.913 0.901 1.00 0.00 C ATOM 781 OG SER A 58 -10.322 13.603 2.116 1.00 0.00 O ATOM 0 H SER A 58 -9.562 10.229 1.907 1.00 0.00 H new ATOM 0 HA SER A 58 -11.882 11.732 0.924 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.009 12.755 0.777 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.412 13.523 0.061 1.00 0.00 H new ATOM 0 HG SER A 58 -9.846 14.460 2.106 1.00 0.00 H new ATOM 786 N CYS A 59 -10.320 9.512 -0.340 1.00 0.00 N ATOM 787 CA CYS A 59 -10.011 8.706 -1.511 1.00 0.00 C ATOM 788 C CYS A 59 -11.016 7.577 -1.679 1.00 0.00 C ATOM 789 O CYS A 59 -11.439 6.961 -0.702 1.00 0.00 O ATOM 790 CB CYS A 59 -8.610 8.115 -1.400 1.00 0.00 C ATOM 791 SG CYS A 59 -7.287 9.346 -1.182 1.00 0.00 S ATOM 0 H CYS A 59 -10.386 8.984 0.530 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.063 9.360 -2.382 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.587 7.423 -0.558 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.403 7.533 -2.298 1.00 0.00 H new ATOM 795 N VAL A 60 -11.388 7.316 -2.921 1.00 0.00 N ATOM 796 CA VAL A 60 -12.332 6.254 -3.244 1.00 0.00 C ATOM 797 C VAL A 60 -11.870 5.501 -4.485 1.00 0.00 C ATOM 798 O VAL A 60 -10.875 5.884 -5.108 1.00 0.00 O ATOM 799 CB VAL A 60 -13.754 6.798 -3.500 1.00 0.00 C ATOM 800 CG1 VAL A 60 -14.348 7.402 -2.237 1.00 0.00 C ATOM 801 CG2 VAL A 60 -13.739 7.817 -4.629 1.00 0.00 C ATOM 0 H VAL A 60 -11.047 7.831 -3.733 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.366 5.587 -2.382 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.386 5.961 -3.797 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.349 7.776 -2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.403 6.640 -1.460 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.718 8.224 -1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.750 8.190 -4.796 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -13.085 8.647 -4.361 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.371 7.345 -5.540 1.00 0.00 H new ATOM 811 N LYS A 61 -12.606 4.448 -4.840 1.00 0.00 N ATOM 812 CA LYS A 61 -12.292 3.624 -6.007 1.00 0.00 C ATOM 813 C LYS A 61 -10.921 2.983 -5.869 1.00 0.00 C ATOM 814 O LYS A 61 -10.113 3.002 -6.795 1.00 0.00 O ATOM 815 CB LYS A 61 -12.380 4.440 -7.303 1.00 0.00 C ATOM 816 CG LYS A 61 -13.773 4.463 -7.919 1.00 0.00 C ATOM 817 CD LYS A 61 -14.813 5.034 -6.968 1.00 0.00 C ATOM 818 CE LYS A 61 -16.213 4.886 -7.531 1.00 0.00 C ATOM 819 NZ LYS A 61 -17.246 5.410 -6.600 1.00 0.00 N ATOM 0 H LYS A 61 -13.434 4.143 -4.329 1.00 0.00 H new ATOM 0 HA LYS A 61 -13.036 2.829 -6.059 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.066 5.464 -7.099 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.678 4.029 -8.029 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.754 5.057 -8.833 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.060 3.450 -8.202 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.749 4.524 -6.007 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.602 6.087 -6.784 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -16.279 5.416 -8.481 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -16.411 3.834 -7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -18.188 5.289 -7.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -17.201 4.888 -5.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -17.073 6.420 -6.422 1.00 0.00 H new ATOM 829 N THR A 62 -10.673 2.419 -4.699 1.00 0.00 N ATOM 830 CA THR A 62 -9.409 1.763 -4.419 1.00 0.00 C ATOM 831 C THR A 62 -9.303 0.425 -5.155 1.00 0.00 C ATOM 832 O THR A 62 -10.191 -0.427 -5.055 1.00 0.00 O ATOM 833 CB THR A 62 -9.233 1.530 -2.906 1.00 0.00 C ATOM 834 OG1 THR A 62 -10.377 0.848 -2.375 1.00 0.00 O ATOM 835 CG2 THR A 62 -9.035 2.847 -2.172 1.00 0.00 C ATOM 0 H THR A 62 -11.336 2.403 -3.924 1.00 0.00 H new ATOM 0 HA THR A 62 -8.617 2.423 -4.774 1.00 0.00 H new ATOM 0 HB THR A 62 -8.345 0.915 -2.760 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.791 0.306 -3.079 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.913 2.655 -1.106 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.145 3.347 -2.555 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.905 3.485 -2.329 1.00 0.00 H new ATOM 843 N ALA A 63 -8.220 0.249 -5.899 1.00 0.00 N ATOM 844 CA ALA A 63 -7.985 -0.983 -6.637 1.00 0.00 C ATOM 845 C ALA A 63 -6.492 -1.207 -6.816 1.00 0.00 C ATOM 846 O ALA A 63 -5.715 -0.253 -6.817 1.00 0.00 O ATOM 847 CB ALA A 63 -8.686 -0.950 -7.985 1.00 0.00 C ATOM 0 H ALA A 63 -7.486 0.949 -6.007 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.399 -1.813 -6.064 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.495 -1.882 -8.517 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.759 -0.831 -7.834 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.307 -0.113 -8.572 1.00 0.00 H new ATOM 853 N LEU A 64 -6.095 -2.461 -6.968 1.00 0.00 N ATOM 854 CA LEU A 64 -4.688 -2.799 -7.128 1.00 0.00 C ATOM 855 C LEU A 64 -4.396 -3.274 -8.547 1.00 0.00 C ATOM 856 O LEU A 64 -4.866 -4.329 -8.967 1.00 0.00 O ATOM 857 CB LEU A 64 -4.293 -3.878 -6.109 1.00 0.00 C ATOM 858 CG LEU A 64 -3.324 -3.422 -5.010 1.00 0.00 C ATOM 859 CD1 LEU A 64 -1.912 -3.323 -5.555 1.00 0.00 C ATOM 860 CD2 LEU A 64 -3.755 -2.079 -4.446 1.00 0.00 C ATOM 0 H LEU A 64 -6.727 -3.262 -6.984 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.095 -1.903 -6.948 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.199 -4.257 -5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.841 -4.712 -6.645 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.342 -4.163 -4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.238 -2.998 -4.762 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.595 -4.299 -5.924 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.887 -2.601 -6.371 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.057 -1.770 -3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.762 -1.335 -5.243 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.755 -2.167 -4.022 1.00 0.00 H new ATOM 871 N ASN A 65 -3.619 -2.487 -9.281 1.00 0.00 N ATOM 872 CA ASN A 65 -3.255 -2.833 -10.644 1.00 0.00 C ATOM 873 C ASN A 65 -2.134 -3.859 -10.646 1.00 0.00 C ATOM 874 O ASN A 65 -1.035 -3.596 -10.143 1.00 0.00 O ATOM 875 CB ASN A 65 -2.833 -1.592 -11.434 1.00 0.00 C ATOM 876 CG ASN A 65 -3.972 -1.012 -12.254 1.00 0.00 C ATOM 877 OD1 ASN A 65 -4.698 -0.062 -11.689 1.00 0.00 O flip ATOM 878 ND2 ASN A 65 -4.192 -1.413 -13.396 1.00 0.00 N flip ATOM 0 H ASN A 65 -3.229 -1.604 -8.952 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.132 -3.263 -11.128 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.463 -0.834 -10.744 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.007 -1.850 -12.096 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.611 -2.148 -13.799 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.956 -1.011 -13.940 1.00 0.00 H new ATOM 884 N ASP A 66 -2.443 -5.030 -11.193 1.00 0.00 N ATOM 885 CA ASP A 66 -1.507 -6.152 -11.292 1.00 0.00 C ATOM 886 C ASP A 66 -0.867 -6.469 -9.939 1.00 0.00 C ATOM 887 O ASP A 66 0.304 -6.833 -9.852 1.00 0.00 O ATOM 888 CB ASP A 66 -0.439 -5.885 -12.356 1.00 0.00 C ATOM 889 CG ASP A 66 0.199 -7.169 -12.855 1.00 0.00 C ATOM 890 OD1 ASP A 66 -0.528 -8.015 -13.418 1.00 0.00 O ATOM 891 OD2 ASP A 66 1.428 -7.335 -12.703 1.00 0.00 O ATOM 0 H ASP A 66 -3.362 -5.232 -11.586 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.077 -7.029 -11.599 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.888 -5.353 -13.195 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.331 -5.235 -11.942 1.00 0.00 H new ATOM 895 N GLY A 67 -1.662 -6.305 -8.887 1.00 0.00 N ATOM 896 CA GLY A 67 -1.229 -6.588 -7.529 1.00 0.00 C ATOM 897 C GLY A 67 0.068 -5.918 -7.106 1.00 0.00 C ATOM 898 O GLY A 67 0.836 -6.505 -6.352 1.00 0.00 O ATOM 0 H GLY A 67 -2.624 -5.972 -8.955 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.018 -6.280 -6.843 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.114 -7.666 -7.420 1.00 0.00 H new ATOM 902 N HIS A 68 0.320 -4.698 -7.568 1.00 0.00 N ATOM 903 CA HIS A 68 1.545 -4.000 -7.177 1.00 0.00 C ATOM 904 C HIS A 68 1.352 -2.485 -7.103 1.00 0.00 C ATOM 905 O HIS A 68 2.070 -1.800 -6.378 1.00 0.00 O ATOM 906 CB HIS A 68 2.726 -4.358 -8.104 1.00 0.00 C ATOM 907 CG HIS A 68 2.535 -4.052 -9.565 1.00 0.00 C ATOM 908 ND1 HIS A 68 2.138 -2.925 -10.204 1.00 0.00 N flip ATOM 909 CD2 HIS A 68 2.817 -4.963 -10.558 1.00 0.00 C flip ATOM 910 CE1 HIS A 68 2.188 -3.177 -11.548 1.00 0.00 C flip ATOM 911 NE2 HIS A 68 2.601 -4.411 -11.736 1.00 0.00 N flip ATOM 0 H HIS A 68 -0.290 -4.179 -8.199 1.00 0.00 H new ATOM 0 HA HIS A 68 1.788 -4.346 -6.172 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.611 -3.826 -7.754 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.933 -5.423 -8.000 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.162 -5.974 -10.397 1.00 0.00 H new ATOM 0 HE1 HIS A 68 1.930 -2.476 -12.328 1.00 0.00 H new ATOM 0 HE2 HIS A 68 2.732 -4.865 -12.640 1.00 0.00 H new ATOM 919 N THR A 69 0.394 -1.965 -7.850 1.00 0.00 N ATOM 920 CA THR A 69 0.134 -0.538 -7.861 1.00 0.00 C ATOM 921 C THR A 69 -1.264 -0.223 -7.345 1.00 0.00 C ATOM 922 O THR A 69 -2.238 -0.819 -7.779 1.00 0.00 O ATOM 923 CB THR A 69 0.306 0.020 -9.286 1.00 0.00 C ATOM 924 OG1 THR A 69 1.697 0.048 -9.623 1.00 0.00 O ATOM 925 CG2 THR A 69 -0.299 1.409 -9.422 1.00 0.00 C ATOM 0 H THR A 69 -0.217 -2.511 -8.457 1.00 0.00 H new ATOM 0 HA THR A 69 0.854 -0.062 -7.196 1.00 0.00 H new ATOM 0 HB THR A 69 -0.225 -0.635 -9.976 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.999 -0.859 -9.840 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.158 1.769 -10.441 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.365 1.365 -9.197 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.191 2.089 -8.726 1.00 0.00 H new ATOM 933 N LEU A 70 -1.356 0.704 -6.410 1.00 0.00 N ATOM 934 CA LEU A 70 -2.646 1.100 -5.869 1.00 0.00 C ATOM 935 C LEU A 70 -3.197 2.254 -6.684 1.00 0.00 C ATOM 936 O LEU A 70 -2.485 3.205 -6.983 1.00 0.00 O ATOM 937 CB LEU A 70 -2.531 1.488 -4.389 1.00 0.00 C ATOM 938 CG LEU A 70 -3.720 2.265 -3.800 1.00 0.00 C ATOM 939 CD1 LEU A 70 -5.008 1.460 -3.890 1.00 0.00 C ATOM 940 CD2 LEU A 70 -3.436 2.645 -2.355 1.00 0.00 C ATOM 0 H LEU A 70 -0.557 1.196 -6.010 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.330 0.253 -5.932 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.393 0.578 -3.805 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.631 2.089 -4.261 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.851 3.173 -4.388 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.829 2.038 -3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.225 1.236 -4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.895 0.529 -3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.286 3.195 -1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.274 1.742 -1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.545 3.271 -2.312 1.00 0.00 H new ATOM 951 N THR A 71 -4.455 2.152 -7.056 1.00 0.00 N ATOM 952 CA THR A 71 -5.106 3.182 -7.837 1.00 0.00 C ATOM 953 C THR A 71 -6.367 3.660 -7.146 1.00 0.00 C ATOM 954 O THR A 71 -7.181 2.846 -6.709 1.00 0.00 O ATOM 955 CB THR A 71 -5.464 2.669 -9.242 1.00 0.00 C ATOM 956 OG1 THR A 71 -5.541 1.233 -9.236 1.00 0.00 O ATOM 957 CG2 THR A 71 -4.444 3.128 -10.266 1.00 0.00 C ATOM 0 H THR A 71 -5.052 1.358 -6.827 1.00 0.00 H new ATOM 0 HA THR A 71 -4.406 4.012 -7.930 1.00 0.00 H new ATOM 0 HB THR A 71 -6.434 3.082 -9.518 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.255 0.886 -10.107 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.722 2.751 -11.250 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.416 4.217 -10.289 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.460 2.746 -9.996 1.00 0.00 H new ATOM 965 N ALA A 72 -6.498 4.971 -7.010 1.00 0.00 N ATOM 966 CA ALA A 72 -7.679 5.562 -6.386 1.00 0.00 C ATOM 967 C ALA A 72 -7.807 7.035 -6.754 1.00 0.00 C ATOM 968 O ALA A 72 -6.892 7.623 -7.332 1.00 0.00 O ATOM 969 CB ALA A 72 -7.630 5.391 -4.873 1.00 0.00 C ATOM 0 H ALA A 72 -5.803 5.649 -7.322 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.558 5.039 -6.763 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.519 5.838 -4.427 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.596 4.330 -4.628 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.740 5.883 -4.480 1.00 0.00 H new ATOM 975 N SER A 73 -8.950 7.620 -6.427 1.00 0.00 N ATOM 976 CA SER A 73 -9.205 9.023 -6.713 1.00 0.00 C ATOM 977 C SER A 73 -9.337 9.791 -5.405 1.00 0.00 C ATOM 978 O SER A 73 -10.151 9.436 -4.546 1.00 0.00 O ATOM 979 CB SER A 73 -10.477 9.167 -7.550 1.00 0.00 C ATOM 980 OG SER A 73 -10.719 10.518 -7.892 1.00 0.00 O ATOM 0 H SER A 73 -9.720 7.140 -5.960 1.00 0.00 H new ATOM 0 HA SER A 73 -8.372 9.434 -7.283 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.386 8.571 -8.458 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.327 8.773 -6.993 1.00 0.00 H new ATOM 0 HG SER A 73 -11.677 10.649 -8.051 1.00 0.00 H new ATOM 985 N CYS A 74 -8.542 10.839 -5.253 1.00 0.00 N ATOM 986 CA CYS A 74 -8.552 11.626 -4.028 1.00 0.00 C ATOM 987 C CYS A 74 -8.796 13.104 -4.293 1.00 0.00 C ATOM 988 O CYS A 74 -8.474 13.617 -5.362 1.00 0.00 O ATOM 989 CB CYS A 74 -7.214 11.469 -3.318 1.00 0.00 C ATOM 990 SG CYS A 74 -6.702 9.747 -3.073 1.00 0.00 S ATOM 0 H CYS A 74 -7.883 11.164 -5.960 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.369 11.256 -3.409 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.447 11.986 -3.894 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.270 11.961 -2.347 1.00 0.00 H new ATOM 994 N LYS A 75 -9.383 13.778 -3.310 1.00 0.00 N ATOM 995 CA LYS A 75 -9.641 15.208 -3.402 1.00 0.00 C ATOM 996 C LYS A 75 -8.554 15.972 -2.660 1.00 0.00 C ATOM 997 O LYS A 75 -8.112 15.549 -1.594 1.00 0.00 O ATOM 998 CB LYS A 75 -11.030 15.552 -2.831 1.00 0.00 C ATOM 999 CG LYS A 75 -11.259 17.045 -2.613 1.00 0.00 C ATOM 1000 CD LYS A 75 -10.875 17.466 -1.201 1.00 0.00 C ATOM 1001 CE LYS A 75 -10.653 18.965 -1.100 1.00 0.00 C ATOM 1002 NZ LYS A 75 -10.268 19.379 0.275 1.00 0.00 N ATOM 0 H LYS A 75 -9.690 13.352 -2.435 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.630 15.501 -4.452 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.794 15.173 -3.509 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.160 15.032 -1.882 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.674 17.614 -3.336 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.307 17.284 -2.793 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.660 17.167 -0.506 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.967 16.943 -0.900 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.873 19.264 -1.800 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.563 19.487 -1.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.126 20.409 0.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.023 19.117 0.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.385 18.901 0.547 1.00 0.00 H new ATOM 1012 N GLY A 76 -8.121 17.092 -3.222 1.00 0.00 N ATOM 1013 CA GLY A 76 -7.096 17.888 -2.576 1.00 0.00 C ATOM 1014 C GLY A 76 -6.375 18.797 -3.543 1.00 0.00 C ATOM 1015 O GLY A 76 -5.932 19.881 -3.174 1.00 0.00 O ATOM 0 H GLY A 76 -8.459 17.463 -4.110 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.550 18.488 -1.787 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.374 17.226 -2.097 1.00 0.00 H new ATOM 1019 N ALA A 77 -6.250 18.338 -4.782 1.00 0.00 N ATOM 1020 CA ALA A 77 -5.587 19.097 -5.836 1.00 0.00 C ATOM 1021 C ALA A 77 -6.126 20.519 -5.938 1.00 0.00 C ATOM 1022 O ALA A 77 -5.359 21.470 -6.079 1.00 0.00 O ATOM 1023 CB ALA A 77 -5.740 18.377 -7.163 1.00 0.00 C ATOM 0 H ALA A 77 -6.605 17.431 -5.085 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.530 19.169 -5.582 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.243 18.949 -7.947 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.289 17.387 -7.094 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.799 18.277 -7.403 1.00 0.00 H new ATOM 1029 N ASP A 78 -7.443 20.658 -5.847 1.00 0.00 N ATOM 1030 CA ASP A 78 -8.081 21.969 -5.925 1.00 0.00 C ATOM 1031 C ASP A 78 -9.550 21.857 -5.543 1.00 0.00 C ATOM 1032 O ASP A 78 -10.437 22.238 -6.303 1.00 0.00 O ATOM 1033 CB ASP A 78 -7.947 22.562 -7.336 1.00 0.00 C ATOM 1034 CG ASP A 78 -8.293 24.039 -7.376 1.00 0.00 C ATOM 1035 OD1 ASP A 78 -7.445 24.858 -6.961 1.00 0.00 O ATOM 1036 OD2 ASP A 78 -9.406 24.387 -7.818 1.00 0.00 O ATOM 0 H ASP A 78 -8.091 19.880 -5.719 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.578 22.636 -5.225 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.926 22.421 -7.692 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.601 22.020 -8.019 1.00 0.00 H new ATOM 1040 N GLY A 79 -9.803 21.277 -4.378 1.00 0.00 N ATOM 1041 CA GLY A 79 -11.169 21.115 -3.906 1.00 0.00 C ATOM 1042 C GLY A 79 -11.928 20.059 -4.684 1.00 0.00 C ATOM 1043 O GLY A 79 -13.106 19.812 -4.436 1.00 0.00 O ATOM 0 H GLY A 79 -9.087 20.914 -3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.156 20.845 -2.850 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.693 22.067 -3.985 1.00 0.00 H new ATOM 1047 N GLN A 80 -11.245 19.432 -5.625 1.00 0.00 N ATOM 1048 CA GLN A 80 -11.835 18.396 -6.448 1.00 0.00 C ATOM 1049 C GLN A 80 -10.994 17.138 -6.358 1.00 0.00 C ATOM 1050 O GLN A 80 -9.855 17.179 -5.875 1.00 0.00 O ATOM 1051 CB GLN A 80 -11.937 18.849 -7.906 1.00 0.00 C ATOM 1052 CG GLN A 80 -10.602 19.224 -8.527 1.00 0.00 C ATOM 1053 CD GLN A 80 -10.701 19.447 -10.023 1.00 0.00 C ATOM 1054 OE1 GLN A 80 -11.514 18.821 -10.703 1.00 0.00 O ATOM 1055 NE2 GLN A 80 -9.877 20.339 -10.545 1.00 0.00 N ATOM 0 H GLN A 80 -10.267 19.628 -5.839 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.841 18.192 -6.082 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -12.389 18.050 -8.494 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.608 19.706 -7.964 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.225 20.130 -8.052 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.877 18.435 -8.328 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.218 20.836 -9.946 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.900 20.530 -11.547 1.00 0.00 H new ATOM 1062 N TYR A 81 -11.557 16.033 -6.809 1.00 0.00 N ATOM 1063 CA TYR A 81 -10.870 14.757 -6.784 1.00 0.00 C ATOM 1064 C TYR A 81 -10.191 14.487 -8.121 1.00 0.00 C ATOM 1065 O TYR A 81 -10.534 15.096 -9.138 1.00 0.00 O ATOM 1066 CB TYR A 81 -11.858 13.630 -6.458 1.00 0.00 C ATOM 1067 CG TYR A 81 -12.923 13.429 -7.516 1.00 0.00 C ATOM 1068 CD1 TYR A 81 -12.664 12.666 -8.645 1.00 0.00 C ATOM 1069 CD2 TYR A 81 -14.180 14.007 -7.390 1.00 0.00 C ATOM 1070 CE1 TYR A 81 -13.618 12.483 -9.619 1.00 0.00 C ATOM 1071 CE2 TYR A 81 -15.146 13.827 -8.362 1.00 0.00 C ATOM 1072 CZ TYR A 81 -14.858 13.064 -9.477 1.00 0.00 C ATOM 1073 OH TYR A 81 -15.815 12.879 -10.452 1.00 0.00 O ATOM 0 H TYR A 81 -12.498 15.995 -7.201 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.105 14.793 -6.008 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.305 12.699 -6.331 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.341 13.847 -5.505 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.694 12.206 -8.762 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -14.406 14.606 -6.520 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.395 11.886 -10.491 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -16.120 14.280 -8.250 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.635 13.354 -10.200 1.00 0.00 H new ATOM 1082 N HIS A 82 -9.232 13.578 -8.115 1.00 0.00 N ATOM 1083 CA HIS A 82 -8.522 13.210 -9.324 1.00 0.00 C ATOM 1084 C HIS A 82 -7.958 11.809 -9.180 1.00 0.00 C ATOM 1085 O HIS A 82 -7.483 11.424 -8.111 1.00 0.00 O ATOM 1086 CB HIS A 82 -7.396 14.202 -9.619 1.00 0.00 C ATOM 1087 CG HIS A 82 -6.722 13.971 -10.937 1.00 0.00 C ATOM 1088 ND1 HIS A 82 -7.341 14.197 -12.145 1.00 0.00 N ATOM 1089 CD2 HIS A 82 -5.483 13.515 -11.231 1.00 0.00 C ATOM 1090 CE1 HIS A 82 -6.514 13.886 -13.124 1.00 0.00 C ATOM 1091 NE2 HIS A 82 -5.378 13.469 -12.599 1.00 0.00 N ATOM 0 H HIS A 82 -8.927 13.079 -7.279 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.223 13.234 -10.158 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.801 15.214 -9.600 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.652 14.141 -8.825 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -4.718 13.238 -10.521 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.731 13.960 -14.179 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -4.558 13.163 -13.123 1.00 0.00 H new ATOM 1099 N ASP A 83 -8.031 11.055 -10.259 1.00 0.00 N ATOM 1100 CA ASP A 83 -7.531 9.688 -10.276 1.00 0.00 C ATOM 1101 C ASP A 83 -6.012 9.678 -10.276 1.00 0.00 C ATOM 1102 O ASP A 83 -5.370 10.456 -10.984 1.00 0.00 O ATOM 1103 CB ASP A 83 -8.061 8.925 -11.496 1.00 0.00 C ATOM 1104 CG ASP A 83 -7.655 9.554 -12.815 1.00 0.00 C ATOM 1105 OD1 ASP A 83 -8.335 10.511 -13.253 1.00 0.00 O ATOM 1106 OD2 ASP A 83 -6.669 9.090 -13.432 1.00 0.00 O ATOM 0 H ASP A 83 -8.434 11.366 -11.143 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.888 9.188 -9.375 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.695 7.899 -11.462 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.149 8.878 -11.443 1.00 0.00 H new ATOM 1110 N SER A 84 -5.443 8.816 -9.457 1.00 0.00 N ATOM 1111 CA SER A 84 -4.004 8.700 -9.359 1.00 0.00 C ATOM 1112 C SER A 84 -3.619 7.283 -8.977 1.00 0.00 C ATOM 1113 O SER A 84 -4.484 6.451 -8.697 1.00 0.00 O ATOM 1114 CB SER A 84 -3.466 9.689 -8.332 1.00 0.00 C ATOM 1115 OG SER A 84 -4.104 9.530 -7.077 1.00 0.00 O ATOM 0 H SER A 84 -5.960 8.183 -8.847 1.00 0.00 H new ATOM 0 HA SER A 84 -3.565 8.932 -10.330 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.392 9.547 -8.216 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.616 10.707 -8.692 1.00 0.00 H new ATOM 0 HG SER A 84 -4.896 10.106 -7.037 1.00 0.00 H new ATOM 1120 N SER A 85 -2.328 7.010 -8.959 1.00 0.00 N ATOM 1121 CA SER A 85 -1.849 5.691 -8.606 1.00 0.00 C ATOM 1122 C SER A 85 -0.606 5.794 -7.745 1.00 0.00 C ATOM 1123 O SER A 85 0.026 6.848 -7.671 1.00 0.00 O ATOM 1124 CB SER A 85 -1.526 4.874 -9.849 1.00 0.00 C ATOM 1125 OG SER A 85 -2.192 5.380 -10.999 1.00 0.00 O ATOM 0 H SER A 85 -1.596 7.683 -9.184 1.00 0.00 H new ATOM 0 HA SER A 85 -2.642 5.191 -8.049 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.449 4.881 -10.019 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.816 3.836 -9.688 1.00 0.00 H new ATOM 0 HG SER A 85 -1.961 4.833 -11.778 1.00 0.00 H new ATOM 1130 N MET A 86 -0.266 4.698 -7.098 1.00 0.00 N ATOM 1131 CA MET A 86 0.899 4.646 -6.245 1.00 0.00 C ATOM 1132 C MET A 86 1.520 3.258 -6.287 1.00 0.00 C ATOM 1133 O MET A 86 0.858 2.262 -5.993 1.00 0.00 O ATOM 1134 CB MET A 86 0.514 4.996 -4.814 1.00 0.00 C ATOM 1135 CG MET A 86 1.692 5.088 -3.854 1.00 0.00 C ATOM 1136 SD MET A 86 2.719 6.556 -4.134 1.00 0.00 S ATOM 1137 CE MET A 86 3.681 6.100 -5.573 1.00 0.00 C ATOM 0 H MET A 86 -0.788 3.823 -7.149 1.00 0.00 H new ATOM 0 HA MET A 86 1.629 5.371 -6.606 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.014 5.949 -4.815 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.184 4.245 -4.444 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.319 5.102 -2.830 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.308 4.195 -3.957 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.611 6.669 -5.584 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.908 5.034 -5.536 1.00 0.00 H new ATOM 0 HE3 MET A 86 3.111 6.319 -6.476 1.00 0.00 H new ATOM 1145 N ASP A 87 2.782 3.195 -6.672 1.00 0.00 N ATOM 1146 CA ASP A 87 3.504 1.940 -6.744 1.00 0.00 C ATOM 1147 C ASP A 87 3.794 1.433 -5.339 1.00 0.00 C ATOM 1148 O ASP A 87 4.658 1.960 -4.641 1.00 0.00 O ATOM 1149 CB ASP A 87 4.813 2.128 -7.519 1.00 0.00 C ATOM 1150 CG ASP A 87 4.590 2.585 -8.949 1.00 0.00 C ATOM 1151 OD1 ASP A 87 4.126 3.727 -9.146 1.00 0.00 O ATOM 1152 OD2 ASP A 87 4.879 1.803 -9.881 1.00 0.00 O ATOM 0 H ASP A 87 3.333 4.010 -6.942 1.00 0.00 H new ATOM 0 HA ASP A 87 2.892 1.206 -7.268 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.434 2.859 -7.002 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.365 1.188 -7.525 1.00 0.00 H new ATOM 1156 N LEU A 88 3.068 0.401 -4.936 1.00 0.00 N ATOM 1157 CA LEU A 88 3.225 -0.184 -3.610 1.00 0.00 C ATOM 1158 C LEU A 88 4.449 -1.080 -3.576 1.00 0.00 C ATOM 1159 O LEU A 88 4.834 -1.585 -2.520 1.00 0.00 O ATOM 1160 CB LEU A 88 1.987 -0.990 -3.214 1.00 0.00 C ATOM 1161 CG LEU A 88 0.641 -0.299 -3.447 1.00 0.00 C ATOM 1162 CD1 LEU A 88 -0.489 -1.163 -2.911 1.00 0.00 C ATOM 1163 CD2 LEU A 88 0.616 1.076 -2.797 1.00 0.00 C ATOM 0 H LEU A 88 2.359 -0.052 -5.512 1.00 0.00 H new ATOM 0 HA LEU A 88 3.351 0.630 -2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.994 -1.928 -3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.065 -1.245 -2.157 1.00 0.00 H new ATOM 0 HG LEU A 88 0.504 -0.166 -4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.442 -0.662 -3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.487 -2.124 -3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.349 -1.323 -1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.351 1.546 -2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.776 0.974 -1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.405 1.695 -3.224 1.00 0.00 H new ATOM 1174 N ASN A 89 5.026 -1.302 -4.752 1.00 0.00 N ATOM 1175 CA ASN A 89 6.225 -2.129 -4.901 1.00 0.00 C ATOM 1176 C ASN A 89 7.298 -1.771 -3.875 1.00 0.00 C ATOM 1177 O ASN A 89 8.049 -2.634 -3.426 1.00 0.00 O ATOM 1178 CB ASN A 89 6.799 -1.989 -6.312 1.00 0.00 C ATOM 1179 CG ASN A 89 5.962 -2.709 -7.348 1.00 0.00 C ATOM 1180 OD1 ASN A 89 5.027 -2.142 -7.912 1.00 0.00 O ATOM 1181 ND2 ASN A 89 6.298 -3.965 -7.610 1.00 0.00 N ATOM 0 H ASN A 89 4.679 -0.916 -5.630 1.00 0.00 H new ATOM 0 HA ASN A 89 5.925 -3.162 -4.728 1.00 0.00 H new ATOM 0 HB2 ASN A 89 6.864 -0.932 -6.572 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.814 -2.385 -6.330 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.774 -4.499 -8.303 1.00 0.00 H new ATOM 0 HD22 ASN A 89 7.081 -4.397 -7.119 1.00 0.00 H new ATOM 1187 N TYR A 90 7.362 -0.503 -3.488 1.00 0.00 N ATOM 1188 CA TYR A 90 8.349 -0.071 -2.514 1.00 0.00 C ATOM 1189 C TYR A 90 7.682 0.467 -1.256 1.00 0.00 C ATOM 1190 O TYR A 90 8.280 1.239 -0.508 1.00 0.00 O ATOM 1191 CB TYR A 90 9.310 0.962 -3.118 1.00 0.00 C ATOM 1192 CG TYR A 90 8.644 2.142 -3.797 1.00 0.00 C ATOM 1193 CD1 TYR A 90 8.233 3.253 -3.068 1.00 0.00 C ATOM 1194 CD2 TYR A 90 8.442 2.151 -5.173 1.00 0.00 C ATOM 1195 CE1 TYR A 90 7.639 4.335 -3.690 1.00 0.00 C ATOM 1196 CE2 TYR A 90 7.853 3.232 -5.801 1.00 0.00 C ATOM 1197 CZ TYR A 90 7.452 4.321 -5.056 1.00 0.00 C ATOM 1198 OH TYR A 90 6.869 5.400 -5.678 1.00 0.00 O ATOM 0 H TYR A 90 6.748 0.235 -3.831 1.00 0.00 H new ATOM 0 HA TYR A 90 8.937 -0.943 -2.230 1.00 0.00 H new ATOM 0 HB2 TYR A 90 9.959 1.337 -2.327 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.950 0.459 -3.843 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.380 3.270 -1.998 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.751 1.299 -5.761 1.00 0.00 H new ATOM 0 HE1 TYR A 90 7.323 5.188 -3.108 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.707 3.224 -6.871 1.00 0.00 H new ATOM 0 HH TYR A 90 6.812 5.230 -6.642 1.00 0.00 H new ATOM 1207 N VAL A 91 6.433 0.067 -1.031 1.00 0.00 N ATOM 1208 CA VAL A 91 5.715 0.502 0.156 1.00 0.00 C ATOM 1209 C VAL A 91 5.211 -0.704 0.953 1.00 0.00 C ATOM 1210 O VAL A 91 4.833 -0.587 2.119 1.00 0.00 O ATOM 1211 CB VAL A 91 4.565 1.493 -0.160 1.00 0.00 C ATOM 1212 CG1 VAL A 91 4.958 2.418 -1.282 1.00 0.00 C ATOM 1213 CG2 VAL A 91 3.248 0.818 -0.465 1.00 0.00 C ATOM 0 H VAL A 91 5.905 -0.550 -1.649 1.00 0.00 H new ATOM 0 HA VAL A 91 6.426 1.054 0.771 1.00 0.00 H new ATOM 0 HB VAL A 91 4.405 2.071 0.750 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.139 3.106 -1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.843 2.984 -0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.177 1.834 -2.176 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.492 1.574 -0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.364 0.169 -1.333 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.937 0.223 0.394 1.00 0.00 H new ATOM 1223 N VAL A 92 5.219 -1.875 0.321 1.00 0.00 N ATOM 1224 CA VAL A 92 4.803 -3.104 0.985 1.00 0.00 C ATOM 1225 C VAL A 92 5.828 -4.191 0.725 1.00 0.00 C ATOM 1226 O VAL A 92 6.197 -4.437 -0.424 1.00 0.00 O ATOM 1227 CB VAL A 92 3.439 -3.646 0.500 1.00 0.00 C ATOM 1228 CG1 VAL A 92 2.853 -4.604 1.524 1.00 0.00 C ATOM 1229 CG2 VAL A 92 2.462 -2.536 0.186 1.00 0.00 C ATOM 0 H VAL A 92 5.509 -1.997 -0.649 1.00 0.00 H new ATOM 0 HA VAL A 92 4.714 -2.852 2.042 1.00 0.00 H new ATOM 0 HB VAL A 92 3.617 -4.188 -0.429 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.893 -4.976 1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.535 -5.442 1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.710 -4.082 2.470 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.519 -2.966 -0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.290 -1.939 1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.872 -1.902 -0.600 1.00 0.00 H new ATOM 1239 N GLY A 93 6.302 -4.822 1.781 1.00 0.00 N ATOM 1240 CA GLY A 93 7.258 -5.892 1.621 1.00 0.00 C ATOM 1241 C GLY A 93 6.794 -7.168 2.284 1.00 0.00 C ATOM 1242 O GLY A 93 6.003 -7.132 3.230 1.00 0.00 O ATOM 0 H GLY A 93 6.043 -4.614 2.746 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.424 -6.074 0.559 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.215 -5.590 2.046 1.00 0.00 H new ATOM 1246 N ASN A 94 7.270 -8.296 1.779 1.00 0.00 N ATOM 1247 CA ASN A 94 6.904 -9.592 2.331 1.00 0.00 C ATOM 1248 C ASN A 94 8.039 -10.156 3.164 1.00 0.00 C ATOM 1249 O ASN A 94 9.129 -10.418 2.651 1.00 0.00 O ATOM 1250 CB ASN A 94 6.565 -10.593 1.224 1.00 0.00 C ATOM 1251 CG ASN A 94 6.258 -11.975 1.782 1.00 0.00 C ATOM 1252 OD1 ASN A 94 5.669 -12.110 2.852 1.00 0.00 O ATOM 1253 ND2 ASN A 94 6.682 -13.011 1.076 1.00 0.00 N ATOM 0 H ASN A 94 7.911 -8.340 0.987 1.00 0.00 H new ATOM 0 HA ASN A 94 6.024 -9.439 2.956 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.707 -10.231 0.658 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.401 -10.660 0.527 1.00 0.00 H new ATOM 0 HD21 ASN A 94 6.523 -13.959 1.416 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.168 -12.861 0.192 1.00 0.00 H new ATOM 1259 N SER A 95 7.782 -10.340 4.441 1.00 0.00 N ATOM 1260 CA SER A 95 8.769 -10.892 5.339 1.00 0.00 C ATOM 1261 C SER A 95 8.333 -12.266 5.812 1.00 0.00 C ATOM 1262 O SER A 95 7.710 -12.398 6.866 1.00 0.00 O ATOM 1263 CB SER A 95 8.976 -9.970 6.531 1.00 0.00 C ATOM 1264 OG SER A 95 9.608 -8.760 6.144 1.00 0.00 O ATOM 0 H SER A 95 6.891 -10.113 4.882 1.00 0.00 H new ATOM 0 HA SER A 95 9.714 -10.986 4.803 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.014 -9.748 6.993 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.582 -10.475 7.283 1.00 0.00 H new ATOM 0 HG SER A 95 9.820 -8.232 6.942 1.00 0.00 H new ATOM 1269 N TYR A 96 8.637 -13.283 5.008 1.00 0.00 N ATOM 1270 CA TYR A 96 8.291 -14.661 5.339 1.00 0.00 C ATOM 1271 C TYR A 96 6.786 -14.838 5.478 1.00 0.00 C ATOM 1272 O TYR A 96 6.286 -15.205 6.544 1.00 0.00 O ATOM 1273 CB TYR A 96 8.994 -15.082 6.627 1.00 0.00 C ATOM 1274 CG TYR A 96 10.489 -15.247 6.468 1.00 0.00 C ATOM 1275 CD1 TYR A 96 11.024 -16.361 5.830 1.00 0.00 C ATOM 1276 CD2 TYR A 96 11.368 -14.284 6.947 1.00 0.00 C ATOM 1277 CE1 TYR A 96 12.389 -16.510 5.679 1.00 0.00 C ATOM 1278 CE2 TYR A 96 12.732 -14.426 6.798 1.00 0.00 C ATOM 1279 CZ TYR A 96 13.237 -15.538 6.165 1.00 0.00 C ATOM 1280 OH TYR A 96 14.597 -15.684 6.027 1.00 0.00 O ATOM 0 H TYR A 96 9.125 -13.176 4.119 1.00 0.00 H new ATOM 0 HA TYR A 96 8.627 -15.299 4.522 1.00 0.00 H new ATOM 0 HB2 TYR A 96 8.798 -14.338 7.399 1.00 0.00 H new ATOM 0 HB3 TYR A 96 8.567 -16.023 6.975 1.00 0.00 H new ATOM 0 HD1 TYR A 96 10.361 -17.122 5.446 1.00 0.00 H new ATOM 0 HD2 TYR A 96 10.977 -13.409 7.445 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.789 -17.382 5.183 1.00 0.00 H new ATOM 0 HE2 TYR A 96 13.401 -13.667 7.177 1.00 0.00 H new ATOM 0 HH TYR A 96 15.051 -14.911 6.422 1.00 0.00 H new ATOM 1289 N GLY A 97 6.075 -14.579 4.387 1.00 0.00 N ATOM 1290 CA GLY A 97 4.631 -14.706 4.374 1.00 0.00 C ATOM 1291 C GLY A 97 3.957 -13.853 5.426 1.00 0.00 C ATOM 1292 O GLY A 97 2.873 -14.197 5.905 1.00 0.00 O ATOM 0 H GLY A 97 6.480 -14.279 3.500 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.255 -14.425 3.390 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.361 -15.750 4.532 1.00 0.00 H new ATOM 1296 N TYR A 98 4.584 -12.741 5.789 1.00 0.00 N ATOM 1297 CA TYR A 98 4.022 -11.871 6.797 1.00 0.00 C ATOM 1298 C TYR A 98 4.083 -10.415 6.354 1.00 0.00 C ATOM 1299 O TYR A 98 5.021 -9.995 5.673 1.00 0.00 O ATOM 1300 CB TYR A 98 4.754 -12.058 8.126 1.00 0.00 C ATOM 1301 CG TYR A 98 3.893 -11.687 9.312 1.00 0.00 C ATOM 1302 CD1 TYR A 98 2.624 -12.234 9.457 1.00 0.00 C ATOM 1303 CD2 TYR A 98 4.335 -10.788 10.277 1.00 0.00 C ATOM 1304 CE1 TYR A 98 1.818 -11.896 10.524 1.00 0.00 C ATOM 1305 CE2 TYR A 98 3.534 -10.449 11.353 1.00 0.00 C ATOM 1306 CZ TYR A 98 2.276 -11.006 11.469 1.00 0.00 C ATOM 1307 OH TYR A 98 1.467 -10.658 12.527 1.00 0.00 O ATOM 0 H TYR A 98 5.474 -12.428 5.401 1.00 0.00 H new ATOM 0 HA TYR A 98 2.974 -12.138 6.934 1.00 0.00 H new ATOM 0 HB2 TYR A 98 5.071 -13.097 8.221 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.657 -11.447 8.130 1.00 0.00 H new ATOM 0 HD1 TYR A 98 2.262 -12.937 8.721 1.00 0.00 H new ATOM 0 HD2 TYR A 98 5.317 -10.348 10.185 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.832 -12.327 10.618 1.00 0.00 H new ATOM 0 HE2 TYR A 98 3.891 -9.753 12.098 1.00 0.00 H new ATOM 0 HH TYR A 98 1.939 -10.022 13.104 1.00 0.00 H new ATOM 1316 N MET A 99 3.059 -9.663 6.741 1.00 0.00 N ATOM 1317 CA MET A 99 2.941 -8.251 6.399 1.00 0.00 C ATOM 1318 C MET A 99 4.009 -7.401 7.072 1.00 0.00 C ATOM 1319 O MET A 99 4.050 -7.297 8.298 1.00 0.00 O ATOM 1320 CB MET A 99 1.558 -7.734 6.809 1.00 0.00 C ATOM 1321 CG MET A 99 1.336 -6.257 6.533 1.00 0.00 C ATOM 1322 SD MET A 99 1.340 -5.256 8.034 1.00 0.00 S ATOM 1323 CE MET A 99 -0.072 -5.939 8.901 1.00 0.00 C ATOM 0 H MET A 99 2.285 -10.017 7.303 1.00 0.00 H new ATOM 0 HA MET A 99 3.078 -8.168 5.321 1.00 0.00 H new ATOM 0 HB2 MET A 99 0.797 -8.309 6.281 1.00 0.00 H new ATOM 0 HB3 MET A 99 1.415 -7.918 7.874 1.00 0.00 H new ATOM 0 HG2 MET A 99 2.114 -5.897 5.860 1.00 0.00 H new ATOM 0 HG3 MET A 99 0.384 -6.127 6.018 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.833 -5.168 9.022 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.485 -6.769 8.327 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.241 -6.296 9.882 1.00 0.00 H new ATOM 1331 N GLU A 100 4.871 -6.801 6.262 1.00 0.00 N ATOM 1332 CA GLU A 100 5.913 -5.914 6.756 1.00 0.00 C ATOM 1333 C GLU A 100 6.128 -4.776 5.770 1.00 0.00 C ATOM 1334 O GLU A 100 7.107 -4.757 5.024 1.00 0.00 O ATOM 1335 CB GLU A 100 7.229 -6.646 7.015 1.00 0.00 C ATOM 1336 CG GLU A 100 7.193 -7.535 8.246 1.00 0.00 C ATOM 1337 CD GLU A 100 8.518 -7.567 8.981 1.00 0.00 C ATOM 1338 OE1 GLU A 100 9.570 -7.382 8.341 1.00 0.00 O ATOM 1339 OE2 GLU A 100 8.512 -7.774 10.211 1.00 0.00 O ATOM 0 H GLU A 100 4.867 -6.915 5.248 1.00 0.00 H new ATOM 0 HA GLU A 100 5.578 -5.515 7.714 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.476 -7.254 6.144 1.00 0.00 H new ATOM 0 HB3 GLU A 100 8.028 -5.913 7.129 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.415 -7.181 8.922 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.921 -8.548 7.950 1.00 0.00 H new ATOM 1344 N PRO A 101 5.181 -3.832 5.730 1.00 0.00 N ATOM 1345 CA PRO A 101 5.247 -2.663 4.846 1.00 0.00 C ATOM 1346 C PRO A 101 6.516 -1.840 5.066 1.00 0.00 C ATOM 1347 O PRO A 101 7.131 -1.891 6.134 1.00 0.00 O ATOM 1348 CB PRO A 101 4.003 -1.851 5.226 1.00 0.00 C ATOM 1349 CG PRO A 101 3.596 -2.377 6.561 1.00 0.00 C ATOM 1350 CD PRO A 101 3.953 -3.829 6.536 1.00 0.00 C ATOM 0 HA PRO A 101 5.274 -2.950 3.795 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.226 -0.785 5.272 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.208 -1.979 4.492 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.117 -1.857 7.365 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.528 -2.237 6.731 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.122 -4.224 7.538 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.167 -4.434 6.083 1.00 0.00 H new ATOM 1355 N CYS A 102 6.903 -1.086 4.053 1.00 0.00 N ATOM 1356 CA CYS A 102 8.101 -0.274 4.124 1.00 0.00 C ATOM 1357 C CYS A 102 7.876 1.076 3.455 1.00 0.00 C ATOM 1358 O CYS A 102 7.186 1.162 2.453 1.00 0.00 O ATOM 1359 CB CYS A 102 9.257 -1.002 3.432 1.00 0.00 C ATOM 1360 SG CYS A 102 8.907 -1.445 1.697 1.00 0.00 S ATOM 0 H CYS A 102 6.401 -1.020 3.168 1.00 0.00 H new ATOM 0 HA CYS A 102 8.346 -0.107 5.173 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.145 -0.370 3.465 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.490 -1.909 3.990 1.00 0.00 H new ATOM 1364 N ARG A 103 8.428 2.137 4.013 1.00 0.00 N ATOM 1365 CA ARG A 103 8.282 3.444 3.396 1.00 0.00 C ATOM 1366 C ARG A 103 9.637 3.888 2.879 1.00 0.00 C ATOM 1367 O ARG A 103 10.667 3.564 3.470 1.00 0.00 O ATOM 1368 CB ARG A 103 7.714 4.494 4.362 1.00 0.00 C ATOM 1369 CG ARG A 103 8.754 5.162 5.246 1.00 0.00 C ATOM 1370 CD ARG A 103 9.214 4.257 6.364 1.00 0.00 C ATOM 1371 NE ARG A 103 8.116 3.929 7.279 1.00 0.00 N ATOM 1372 CZ ARG A 103 8.010 2.786 7.956 1.00 0.00 C ATOM 1373 NH1 ARG A 103 8.923 1.834 7.814 1.00 0.00 N ATOM 1374 NH2 ARG A 103 6.978 2.594 8.768 1.00 0.00 N ATOM 0 H ARG A 103 8.972 2.123 4.876 1.00 0.00 H new ATOM 0 HA ARG A 103 7.566 3.356 2.578 1.00 0.00 H new ATOM 0 HB2 ARG A 103 7.200 5.261 3.784 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.966 4.019 4.997 1.00 0.00 H new ATOM 0 HG2 ARG A 103 9.612 5.453 4.640 1.00 0.00 H new ATOM 0 HG3 ARG A 103 8.337 6.076 5.668 1.00 0.00 H new ATOM 0 HD2 ARG A 103 9.625 3.339 5.944 1.00 0.00 H new ATOM 0 HD3 ARG A 103 10.018 4.742 6.918 1.00 0.00 H new ATOM 0 HE ARG A 103 7.381 4.625 7.406 1.00 0.00 H new ATOM 0 HH11 ARG A 103 9.712 1.974 7.184 1.00 0.00 H new ATOM 0 HH12 ARG A 103 8.836 0.962 8.335 1.00 0.00 H new ATOM 0 HH21 ARG A 103 6.269 3.320 8.872 1.00 0.00 H new ATOM 0 HH22 ARG A 103 6.894 1.720 9.288 1.00 0.00 H new ATOM 1385 N ALA A 104 9.645 4.627 1.789 1.00 0.00 N ATOM 1386 CA ALA A 104 10.900 5.084 1.223 1.00 0.00 C ATOM 1387 C ALA A 104 11.246 6.490 1.693 1.00 0.00 C ATOM 1388 O ALA A 104 12.110 7.152 1.118 1.00 0.00 O ATOM 1389 CB ALA A 104 10.857 5.014 -0.297 1.00 0.00 C ATOM 0 H ALA A 104 8.810 4.921 1.282 1.00 0.00 H new ATOM 0 HA ALA A 104 11.688 4.419 1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 104 11.807 5.361 -0.704 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.683 3.984 -0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 104 10.051 5.647 -0.668 1.00 0.00 H new ATOM 1395 N SER A 105 10.565 6.929 2.744 1.00 0.00 N ATOM 1396 CA SER A 105 10.791 8.246 3.322 1.00 0.00 C ATOM 1397 C SER A 105 9.936 8.460 4.565 1.00 0.00 C ATOM 1398 O SER A 105 10.305 8.060 5.669 1.00 0.00 O ATOM 1399 CB SER A 105 10.530 9.348 2.285 1.00 0.00 C ATOM 1400 OG SER A 105 9.275 9.168 1.648 1.00 0.00 O ATOM 0 H SER A 105 9.844 6.384 3.217 1.00 0.00 H new ATOM 0 HA SER A 105 11.837 8.301 3.625 1.00 0.00 H new ATOM 0 HB2 SER A 105 10.557 10.323 2.772 1.00 0.00 H new ATOM 0 HB3 SER A 105 11.324 9.343 1.538 1.00 0.00 H new ATOM 0 HG SER A 105 9.380 9.284 0.681 1.00 0.00 H new ATOM 1405 N ASN A 106 8.780 9.053 4.345 1.00 0.00 N ATOM 1406 CA ASN A 106 7.817 9.384 5.403 1.00 0.00 C ATOM 1407 C ASN A 106 8.506 10.191 6.509 1.00 0.00 C ATOM 1408 O ASN A 106 8.234 10.039 7.699 1.00 0.00 O ATOM 1409 CB ASN A 106 7.151 8.114 5.954 1.00 0.00 C ATOM 1410 CG ASN A 106 6.001 8.401 6.909 1.00 0.00 C ATOM 1411 OD1 ASN A 106 6.154 8.341 8.130 1.00 0.00 O ATOM 1412 ND2 ASN A 106 4.841 8.726 6.363 1.00 0.00 N ATOM 0 H ASN A 106 8.468 9.328 3.414 1.00 0.00 H new ATOM 0 HA ASN A 106 7.026 10.003 4.979 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.781 7.516 5.121 1.00 0.00 H new ATOM 0 HB3 ASN A 106 7.901 7.514 6.470 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.039 8.936 6.957 1.00 0.00 H new ATOM 0 HD22 ASN A 106 4.749 8.766 5.348 1.00 0.00 H new ATOM 1418 N ALA A 107 9.421 11.049 6.087 1.00 0.00 N ATOM 1419 CA ALA A 107 10.168 11.898 6.996 1.00 0.00 C ATOM 1420 C ALA A 107 10.570 13.173 6.275 1.00 0.00 C ATOM 1421 O ALA A 107 10.915 13.144 5.089 1.00 0.00 O ATOM 1422 CB ALA A 107 11.384 11.167 7.540 1.00 0.00 C ATOM 0 H ALA A 107 9.665 11.175 5.105 1.00 0.00 H new ATOM 0 HA ALA A 107 9.538 12.158 7.847 1.00 0.00 H new ATOM 0 HB1 ALA A 107 11.929 11.823 8.219 1.00 0.00 H new ATOM 0 HB2 ALA A 107 11.062 10.275 8.077 1.00 0.00 H new ATOM 0 HB3 ALA A 107 12.035 10.878 6.714 1.00 0.00 H new ATOM 1428 N ASP A 108 10.533 14.283 6.991 1.00 0.00 N ATOM 1429 CA ASP A 108 10.841 15.588 6.416 1.00 0.00 C ATOM 1430 C ASP A 108 12.332 15.825 6.188 1.00 0.00 C ATOM 1431 O ASP A 108 12.923 16.719 6.785 1.00 0.00 O ATOM 1432 CB ASP A 108 10.271 16.701 7.298 1.00 0.00 C ATOM 1433 CG ASP A 108 8.762 16.786 7.224 1.00 0.00 C ATOM 1434 OD1 ASP A 108 8.248 17.507 6.344 1.00 0.00 O ATOM 1435 OD2 ASP A 108 8.079 16.124 8.035 1.00 0.00 O ATOM 0 H ASP A 108 10.291 14.310 7.981 1.00 0.00 H new ATOM 0 HA ASP A 108 10.371 15.602 5.433 1.00 0.00 H new ATOM 0 HB2 ASP A 108 10.571 16.530 8.332 1.00 0.00 H new ATOM 0 HB3 ASP A 108 10.700 17.656 6.995 1.00 0.00 H new ATOM 1439 N HIS A 109 12.942 15.025 5.326 1.00 0.00 N ATOM 1440 CA HIS A 109 14.344 15.205 4.991 1.00 0.00 C ATOM 1441 C HIS A 109 14.518 15.162 3.479 1.00 0.00 C ATOM 1442 O HIS A 109 15.113 16.058 2.890 1.00 0.00 O ATOM 1443 CB HIS A 109 15.251 14.187 5.697 1.00 0.00 C ATOM 1444 CG HIS A 109 15.022 12.741 5.375 1.00 0.00 C ATOM 1445 ND1 HIS A 109 13.953 11.940 5.581 1.00 0.00 N flip ATOM 1446 CD2 HIS A 109 15.993 11.939 4.820 1.00 0.00 C flip ATOM 1447 CE1 HIS A 109 14.295 10.683 5.157 1.00 0.00 C flip ATOM 1448 NE2 HIS A 109 15.531 10.711 4.702 1.00 0.00 N flip ATOM 0 H HIS A 109 12.488 14.247 4.847 1.00 0.00 H new ATOM 0 HA HIS A 109 14.656 16.184 5.354 1.00 0.00 H new ATOM 0 HB2 HIS A 109 16.286 14.429 5.455 1.00 0.00 H new ATOM 0 HB3 HIS A 109 15.136 14.318 6.773 1.00 0.00 H new ATOM 0 HD2 HIS A 109 16.980 12.265 4.527 1.00 0.00 H new ATOM 0 HE1 HIS A 109 13.657 9.813 5.190 1.00 0.00 H new ATOM 0 HE2 HIS A 109 16.044 9.915 4.322 1.00 0.00 H new ATOM 1456 N VAL A 110 13.984 14.121 2.859 1.00 0.00 N ATOM 1457 CA VAL A 110 14.038 13.984 1.405 1.00 0.00 C ATOM 1458 C VAL A 110 12.649 13.705 0.861 1.00 0.00 C ATOM 1459 O VAL A 110 12.441 12.818 0.035 1.00 0.00 O ATOM 1460 CB VAL A 110 15.027 12.892 0.936 1.00 0.00 C ATOM 1461 CG1 VAL A 110 16.457 13.280 1.271 1.00 0.00 C ATOM 1462 CG2 VAL A 110 14.679 11.549 1.551 1.00 0.00 C ATOM 0 H VAL A 110 13.507 13.356 3.337 1.00 0.00 H new ATOM 0 HA VAL A 110 14.409 14.930 1.010 1.00 0.00 H new ATOM 0 HB VAL A 110 14.943 12.803 -0.147 1.00 0.00 H new ATOM 0 HG11 VAL A 110 17.135 12.497 0.932 1.00 0.00 H new ATOM 0 HG12 VAL A 110 16.706 14.217 0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 110 16.557 13.405 2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 110 15.388 10.796 1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 110 14.727 11.623 2.637 1.00 0.00 H new ATOM 0 HG23 VAL A 110 13.671 11.262 1.251 1.00 0.00 H new ATOM 1472 N LEU A 111 11.707 14.493 1.333 1.00 0.00 N ATOM 1473 CA LEU A 111 10.315 14.359 0.933 1.00 0.00 C ATOM 1474 C LEU A 111 9.578 15.675 1.122 1.00 0.00 C ATOM 1475 O LEU A 111 8.946 15.905 2.155 1.00 0.00 O ATOM 1476 CB LEU A 111 9.620 13.259 1.742 1.00 0.00 C ATOM 1477 CG LEU A 111 8.148 13.015 1.387 1.00 0.00 C ATOM 1478 CD1 LEU A 111 8.007 12.543 -0.051 1.00 0.00 C ATOM 1479 CD2 LEU A 111 7.530 12.007 2.344 1.00 0.00 C ATOM 0 H LEU A 111 11.879 15.243 2.002 1.00 0.00 H new ATOM 0 HA LEU A 111 10.294 14.086 -0.122 1.00 0.00 H new ATOM 0 HB2 LEU A 111 10.169 12.328 1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 111 9.684 13.513 2.800 1.00 0.00 H new ATOM 0 HG LEU A 111 7.613 13.960 1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 111 6.954 12.377 -0.278 1.00 0.00 H new ATOM 0 HD12 LEU A 111 8.408 13.301 -0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 111 8.558 11.612 -0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.485 11.846 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 111 8.071 11.063 2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 111 7.590 12.389 3.363 1.00 0.00 H new ATOM 1490 N LYS A 112 9.693 16.549 0.143 1.00 0.00 N ATOM 1491 CA LYS A 112 9.018 17.829 0.191 1.00 0.00 C ATOM 1492 C LYS A 112 8.329 18.119 -1.135 1.00 0.00 C ATOM 1493 O LYS A 112 8.970 18.500 -2.116 1.00 0.00 O ATOM 1494 CB LYS A 112 9.997 18.953 0.554 1.00 0.00 C ATOM 1495 CG LYS A 112 11.231 19.030 -0.332 1.00 0.00 C ATOM 1496 CD LYS A 112 11.983 20.334 -0.129 1.00 0.00 C ATOM 1497 CE LYS A 112 11.201 21.527 -0.663 1.00 0.00 C ATOM 1498 NZ LYS A 112 11.957 22.797 -0.519 1.00 0.00 N ATOM 0 H LYS A 112 10.249 16.395 -0.698 1.00 0.00 H new ATOM 0 HA LYS A 112 8.257 17.783 0.970 1.00 0.00 H new ATOM 0 HB2 LYS A 112 9.470 19.906 0.504 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.316 18.819 1.588 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.891 18.191 -0.112 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.936 18.938 -1.377 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.183 20.477 0.933 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.949 20.278 -0.631 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.963 21.364 -1.714 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.253 21.607 -0.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.389 23.583 -0.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.162 22.967 0.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 12.850 22.731 -1.048 1.00 0.00 H new ATOM 1508 N SER A 113 7.022 17.912 -1.171 1.00 0.00 N ATOM 1509 CA SER A 113 6.237 18.170 -2.370 1.00 0.00 C ATOM 1510 C SER A 113 5.995 19.675 -2.528 1.00 0.00 C ATOM 1511 O SER A 113 4.863 20.133 -2.697 1.00 0.00 O ATOM 1512 CB SER A 113 4.912 17.410 -2.299 1.00 0.00 C ATOM 1513 OG SER A 113 5.138 16.022 -2.111 1.00 0.00 O ATOM 0 H SER A 113 6.480 17.564 -0.380 1.00 0.00 H new ATOM 0 HA SER A 113 6.789 17.820 -3.242 1.00 0.00 H new ATOM 0 HB2 SER A 113 4.308 17.799 -1.480 1.00 0.00 H new ATOM 0 HB3 SER A 113 4.346 17.570 -3.217 1.00 0.00 H new ATOM 0 HG SER A 113 4.278 15.554 -2.066 1.00 0.00 H new ATOM 1518 N SER A 114 7.076 20.432 -2.464 1.00 0.00 N ATOM 1519 CA SER A 114 7.028 21.873 -2.578 1.00 0.00 C ATOM 1520 C SER A 114 8.071 22.346 -3.581 1.00 0.00 C ATOM 1521 O SER A 114 9.272 22.334 -3.299 1.00 0.00 O ATOM 1522 CB SER A 114 7.286 22.505 -1.207 1.00 0.00 C ATOM 1523 OG SER A 114 6.348 22.035 -0.248 1.00 0.00 O ATOM 0 H SER A 114 8.016 20.059 -2.331 1.00 0.00 H new ATOM 0 HA SER A 114 6.042 22.177 -2.929 1.00 0.00 H new ATOM 0 HB2 SER A 114 8.298 22.269 -0.878 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.221 23.590 -1.284 1.00 0.00 H new ATOM 0 HG SER A 114 6.532 22.450 0.620 1.00 0.00 H new ATOM 1528 N SER A 115 7.607 22.735 -4.759 1.00 0.00 N ATOM 1529 CA SER A 115 8.493 23.210 -5.807 1.00 0.00 C ATOM 1530 C SER A 115 9.101 24.549 -5.413 1.00 0.00 C ATOM 1531 O SER A 115 10.320 24.713 -5.399 1.00 0.00 O ATOM 1532 CB SER A 115 7.721 23.350 -7.120 1.00 0.00 C ATOM 1533 OG SER A 115 7.085 22.128 -7.475 1.00 0.00 O ATOM 0 H SER A 115 6.619 22.730 -5.012 1.00 0.00 H new ATOM 0 HA SER A 115 9.297 22.487 -5.944 1.00 0.00 H new ATOM 0 HB2 SER A 115 6.974 24.137 -7.023 1.00 0.00 H new ATOM 0 HB3 SER A 115 8.402 23.653 -7.915 1.00 0.00 H new ATOM 0 HG SER A 115 6.597 22.246 -8.317 1.00 0.00 H new ATOM 1538 N GLU A 116 8.240 25.492 -5.064 1.00 0.00 N ATOM 1539 CA GLU A 116 8.675 26.820 -4.665 1.00 0.00 C ATOM 1540 C GLU A 116 8.795 26.909 -3.148 1.00 0.00 C ATOM 1541 O GLU A 116 7.752 27.000 -2.473 1.00 0.00 O ATOM 1542 CB GLU A 116 7.691 27.870 -5.184 1.00 0.00 C ATOM 1543 CG GLU A 116 7.621 27.946 -6.700 1.00 0.00 C ATOM 1544 CD GLU A 116 8.937 28.356 -7.331 1.00 0.00 C ATOM 1545 OE1 GLU A 116 9.240 29.569 -7.352 1.00 0.00 O ATOM 1546 OE2 GLU A 116 9.681 27.473 -7.804 1.00 0.00 O ATOM 0 H GLU A 116 7.229 25.360 -5.049 1.00 0.00 H new ATOM 0 HA GLU A 116 9.657 27.012 -5.098 1.00 0.00 H new ATOM 0 HB2 GLU A 116 6.698 27.648 -4.794 1.00 0.00 H new ATOM 0 HB3 GLU A 116 7.976 28.847 -4.793 1.00 0.00 H new ATOM 0 HG2 GLU A 116 7.322 26.975 -7.094 1.00 0.00 H new ATOM 0 HG3 GLU A 116 6.848 28.659 -6.988 1.00 0.00 H new TER 1551 GLU A 116