USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=35 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 -166:sc= -6.82! (180deg=-7.08!) USER MOD Set 1.2: A 90 TYR OH : rot -4:sc= 0.446 USER MOD Set 2.1: A 4 ASN : amide:sc= -0.528 K(o=-1.8,f=-4.8) USER MOD Set 2.2: A 89 ASN : amide:sc= -1.26 K(o=-1.8,f=-4.8!) USER MOD Set 3.1: A 68 HIS :FLIP no HE2:sc= -1.16 F(o=-3.1!,f=0.0052) USER MOD Set 3.2: A 69 THR OG1 : rot -6:sc= 1.16 USER MOD Set 4.1: A 65 ASN : amide:sc= 1.05 K(o=2.3,f=-3.5!) USER MOD Set 4.2: A 71 THR OG1 : rot -92:sc= 1.24 USER MOD Set 5.1: A 43 ASN : amide:sc= 0.779 K(o=1.6,f=-5.1!) USER MOD Set 5.2: A 58 SER OG : rot -150:sc= 0.87 USER MOD Set 6.1: A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 6.2: A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -156:sc= -0.248 (180deg=-0.91) USER MOD Single : A 1 MET N :NH3+ -171:sc=-0.00247 (180deg=-0.107) USER MOD Single : A 2 GLN : amide:sc= -1.24 K(o=-1.2,f=-7.6!) 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= 0.809 K(o=0.81,f=-6.8!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 31 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4.3!) USER MOD Single : A 33 THR OG1 : rot 100:sc= -0.405 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= -1.26 F(o=-4.3!,f=-1.3) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.05) 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 45 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 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 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 31:sc= 0.0656 USER MOD Single : A 73 SER OG : rot -120:sc= 0.367 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS :FLIP no HE2:sc= 0.122 F(o=-0.46,f=0.12) USER MOD Single : A 84 SER OG : rot -90:sc= -1.72 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.19! C(o=-1.2!,f=-5.7!) USER MOD Single : A 95 SER OG : rot -160:sc= -0.294 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 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc=-0.00556 USER MOD Single : A 106 ASN : amide:sc= -2.45! X(o=-2.5!,f=-2.3) USER MOD Single : A 109 HIS : no HD1:sc= 0.903 K(o=0.9,f=-4.9!) USER MOD Single : A 112 LYS NZ :NH3+ 148:sc= 1.17 (180deg=1.06) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= -0.0832 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.196 -6.467 -1.423 1.00 0.00 N ATOM 2 CA MET A 1 17.037 -5.082 -1.927 1.00 0.00 C ATOM 3 C MET A 1 15.564 -4.725 -2.010 1.00 0.00 C ATOM 4 O MET A 1 14.764 -5.509 -2.519 1.00 0.00 O ATOM 5 CB MET A 1 17.667 -4.932 -3.318 1.00 0.00 C ATOM 6 CG MET A 1 19.168 -5.162 -3.352 1.00 0.00 C ATOM 7 SD MET A 1 19.851 -5.018 -5.017 1.00 0.00 S ATOM 8 CE MET A 1 18.940 -6.302 -5.873 1.00 0.00 C ATOM 0 H1 MET A 1 18.200 -6.651 -1.225 1.00 0.00 H new ATOM 0 H2 MET A 1 16.643 -6.584 -0.550 1.00 0.00 H new ATOM 0 H3 MET A 1 16.856 -7.139 -2.141 1.00 0.00 H new ATOM 0 HA MET A 1 17.542 -4.410 -1.233 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.188 -5.635 -3.999 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.456 -3.931 -3.694 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.658 -4.441 -2.698 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.390 -6.153 -2.956 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.507 -6.632 -6.743 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.782 -7.146 -5.201 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.976 -5.910 -6.196 1.00 0.00 H new ATOM 18 N GLN A 2 15.215 -3.541 -1.509 1.00 0.00 N ATOM 19 CA GLN A 2 13.834 -3.068 -1.518 1.00 0.00 C ATOM 20 C GLN A 2 12.935 -4.004 -0.712 1.00 0.00 C ATOM 21 O GLN A 2 13.416 -4.787 0.108 1.00 0.00 O ATOM 22 CB GLN A 2 13.316 -2.935 -2.958 1.00 0.00 C ATOM 23 CG GLN A 2 14.119 -1.972 -3.821 1.00 0.00 C ATOM 24 CD GLN A 2 13.981 -0.524 -3.387 1.00 0.00 C ATOM 25 OE1 GLN A 2 13.785 -0.227 -2.212 1.00 0.00 O ATOM 26 NE2 GLN A 2 14.078 0.386 -4.342 1.00 0.00 N ATOM 0 H GLN A 2 15.877 -2.888 -1.089 1.00 0.00 H new ATOM 0 HA GLN A 2 13.810 -2.084 -1.051 1.00 0.00 H new ATOM 0 HB2 GLN A 2 13.323 -3.919 -3.427 1.00 0.00 H new ATOM 0 HB3 GLN A 2 12.278 -2.602 -2.930 1.00 0.00 H new ATOM 0 HG2 GLN A 2 15.171 -2.256 -3.789 1.00 0.00 H new ATOM 0 HG3 GLN A 2 13.795 -2.066 -4.857 1.00 0.00 H new ATOM 0 HE21 GLN A 2 14.241 0.098 -5.307 1.00 0.00 H new ATOM 0 HE22 GLN A 2 13.989 1.376 -4.114 1.00 0.00 H new ATOM 33 N CYS A 3 11.634 -3.919 -0.940 1.00 0.00 N ATOM 34 CA CYS A 3 10.684 -4.761 -0.235 1.00 0.00 C ATOM 35 C CYS A 3 9.957 -5.677 -1.217 1.00 0.00 C ATOM 36 O CYS A 3 10.190 -6.884 -1.229 1.00 0.00 O ATOM 37 CB CYS A 3 9.703 -3.891 0.545 1.00 0.00 C ATOM 38 SG CYS A 3 10.486 -2.916 1.869 1.00 0.00 S ATOM 0 H CYS A 3 11.213 -3.274 -1.609 1.00 0.00 H new ATOM 0 HA CYS A 3 11.218 -5.393 0.474 1.00 0.00 H new ATOM 0 HB2 CYS A 3 9.202 -3.213 -0.146 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.933 -4.528 0.981 1.00 0.00 H new ATOM 42 N ASN A 4 9.092 -5.088 -2.044 1.00 0.00 N ATOM 43 CA ASN A 4 8.341 -5.822 -3.065 1.00 0.00 C ATOM 44 C ASN A 4 7.404 -6.871 -2.464 1.00 0.00 C ATOM 45 O ASN A 4 7.740 -8.052 -2.426 1.00 0.00 O ATOM 46 CB ASN A 4 9.292 -6.507 -4.066 1.00 0.00 C ATOM 47 CG ASN A 4 10.245 -5.543 -4.742 1.00 0.00 C ATOM 48 OD1 ASN A 4 9.894 -4.883 -5.720 1.00 0.00 O ATOM 49 ND2 ASN A 4 11.473 -5.482 -4.251 1.00 0.00 N ATOM 0 H ASN A 4 8.892 -4.088 -2.025 1.00 0.00 H new ATOM 0 HA ASN A 4 7.732 -5.081 -3.584 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.868 -7.271 -3.544 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.701 -7.017 -4.827 1.00 0.00 H new ATOM 0 HD21 ASN A 4 12.166 -4.872 -4.685 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.726 -6.045 -3.439 1.00 0.00 H new ATOM 55 N PHE A 5 6.229 -6.453 -1.984 1.00 0.00 N ATOM 56 CA PHE A 5 5.273 -7.415 -1.436 1.00 0.00 C ATOM 57 C PHE A 5 4.783 -8.357 -2.541 1.00 0.00 C ATOM 58 O PHE A 5 4.594 -9.552 -2.320 1.00 0.00 O ATOM 59 CB PHE A 5 4.080 -6.696 -0.788 1.00 0.00 C ATOM 60 CG PHE A 5 3.063 -6.161 -1.763 1.00 0.00 C ATOM 61 CD1 PHE A 5 3.373 -5.116 -2.621 1.00 0.00 C ATOM 62 CD2 PHE A 5 1.787 -6.704 -1.813 1.00 0.00 C ATOM 63 CE1 PHE A 5 2.434 -4.626 -3.508 1.00 0.00 C ATOM 64 CE2 PHE A 5 0.844 -6.218 -2.700 1.00 0.00 C ATOM 65 CZ PHE A 5 1.168 -5.178 -3.547 1.00 0.00 C ATOM 0 H PHE A 5 5.923 -5.480 -1.964 1.00 0.00 H new ATOM 0 HA PHE A 5 5.779 -7.998 -0.667 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.583 -7.387 -0.107 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.455 -5.869 -0.185 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.361 -4.680 -2.595 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.527 -7.517 -1.151 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.689 -3.812 -4.170 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.145 -6.652 -2.730 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.433 -4.796 -4.240 1.00 0.00 H new ATOM 74 N ALA A 6 4.635 -7.805 -3.743 1.00 0.00 N ATOM 75 CA ALA A 6 4.155 -8.549 -4.905 1.00 0.00 C ATOM 76 C ALA A 6 5.158 -9.598 -5.360 1.00 0.00 C ATOM 77 O ALA A 6 4.799 -10.546 -6.055 1.00 0.00 O ATOM 78 CB ALA A 6 3.844 -7.592 -6.042 1.00 0.00 C ATOM 0 H ALA A 6 4.845 -6.826 -3.939 1.00 0.00 H new ATOM 0 HA ALA A 6 3.245 -9.072 -4.611 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.487 -8.155 -6.904 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.075 -6.888 -5.725 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.747 -7.045 -6.314 1.00 0.00 H new ATOM 84 N ASN A 7 6.409 -9.418 -4.951 1.00 0.00 N ATOM 85 CA ASN A 7 7.499 -10.324 -5.318 1.00 0.00 C ATOM 86 C ASN A 7 7.149 -11.775 -5.006 1.00 0.00 C ATOM 87 O ASN A 7 7.602 -12.692 -5.688 1.00 0.00 O ATOM 88 CB ASN A 7 8.761 -9.936 -4.554 1.00 0.00 C ATOM 89 CG ASN A 7 10.030 -10.466 -5.189 1.00 0.00 C ATOM 90 OD1 ASN A 7 10.490 -11.567 -4.878 1.00 0.00 O ATOM 91 ND2 ASN A 7 10.608 -9.675 -6.078 1.00 0.00 N ATOM 0 H ASN A 7 6.699 -8.642 -4.356 1.00 0.00 H new ATOM 0 HA ASN A 7 7.664 -10.236 -6.392 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.820 -8.849 -4.491 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.689 -10.311 -3.533 1.00 0.00 H new ATOM 0 HD21 ASN A 7 11.470 -9.968 -6.537 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.191 -8.772 -6.304 1.00 0.00 H new ATOM 97 N SER A 8 6.353 -11.983 -3.969 1.00 0.00 N ATOM 98 CA SER A 8 5.944 -13.323 -3.589 1.00 0.00 C ATOM 99 C SER A 8 4.507 -13.323 -3.071 1.00 0.00 C ATOM 100 O SER A 8 4.146 -14.124 -2.211 1.00 0.00 O ATOM 101 CB SER A 8 6.901 -13.892 -2.539 1.00 0.00 C ATOM 102 OG SER A 8 8.223 -13.971 -3.051 1.00 0.00 O ATOM 0 H SER A 8 5.979 -11.241 -3.377 1.00 0.00 H new ATOM 0 HA SER A 8 5.983 -13.961 -4.472 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.888 -13.262 -1.649 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.565 -14.883 -2.233 1.00 0.00 H new ATOM 0 HG SER A 8 8.819 -14.336 -2.364 1.00 0.00 H new ATOM 107 N CYS A 9 3.692 -12.411 -3.592 1.00 0.00 N ATOM 108 CA CYS A 9 2.293 -12.333 -3.183 1.00 0.00 C ATOM 109 C CYS A 9 1.366 -12.556 -4.366 1.00 0.00 C ATOM 110 O CYS A 9 1.641 -12.109 -5.481 1.00 0.00 O ATOM 111 CB CYS A 9 1.972 -10.992 -2.525 1.00 0.00 C ATOM 112 SG CYS A 9 1.304 -11.150 -0.835 1.00 0.00 S ATOM 0 H CYS A 9 3.971 -11.722 -4.291 1.00 0.00 H new ATOM 0 HA CYS A 9 2.132 -13.124 -2.450 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.877 -10.386 -2.494 1.00 0.00 H new ATOM 0 HB3 CYS A 9 1.251 -10.457 -3.143 1.00 0.00 H new ATOM 116 N THR A 10 0.269 -13.253 -4.109 1.00 0.00 N ATOM 117 CA THR A 10 -0.717 -13.552 -5.133 1.00 0.00 C ATOM 118 C THR A 10 -2.125 -13.458 -4.558 1.00 0.00 C ATOM 119 O THR A 10 -2.307 -13.572 -3.346 1.00 0.00 O ATOM 120 CB THR A 10 -0.501 -14.964 -5.715 1.00 0.00 C ATOM 121 OG1 THR A 10 -0.327 -15.913 -4.651 1.00 0.00 O ATOM 122 CG2 THR A 10 0.709 -15.000 -6.633 1.00 0.00 C ATOM 0 H THR A 10 0.039 -13.625 -3.188 1.00 0.00 H new ATOM 0 HA THR A 10 -0.598 -12.819 -5.931 1.00 0.00 H new ATOM 0 HB THR A 10 -1.384 -15.226 -6.298 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.192 -16.807 -5.029 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.836 -16.008 -7.028 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.561 -14.303 -7.458 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.599 -14.715 -6.073 1.00 0.00 H new ATOM 130 N GLY A 11 -3.109 -13.248 -5.426 1.00 0.00 N ATOM 131 CA GLY A 11 -4.493 -13.153 -4.990 1.00 0.00 C ATOM 132 C GLY A 11 -4.720 -12.025 -4.005 1.00 0.00 C ATOM 133 O GLY A 11 -5.125 -12.257 -2.867 1.00 0.00 O ATOM 0 H GLY A 11 -2.972 -13.141 -6.431 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.134 -13.005 -5.859 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.791 -14.096 -4.531 1.00 0.00 H new ATOM 137 N VAL A 12 -4.456 -10.803 -4.436 1.00 0.00 N ATOM 138 CA VAL A 12 -4.632 -9.642 -3.577 1.00 0.00 C ATOM 139 C VAL A 12 -5.937 -8.920 -3.895 1.00 0.00 C ATOM 140 O VAL A 12 -6.314 -8.777 -5.060 1.00 0.00 O ATOM 141 CB VAL A 12 -3.451 -8.656 -3.706 1.00 0.00 C ATOM 142 CG1 VAL A 12 -2.164 -9.282 -3.193 1.00 0.00 C ATOM 143 CG2 VAL A 12 -3.287 -8.204 -5.141 1.00 0.00 C ATOM 0 H VAL A 12 -4.119 -10.588 -5.375 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.667 -10.007 -2.551 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.672 -7.782 -3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.347 -8.568 -3.294 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.283 -9.551 -2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.938 -10.177 -3.773 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.450 -7.510 -5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.094 -9.069 -5.775 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.199 -7.707 -5.472 1.00 0.00 H new ATOM 153 N GLU A 13 -6.630 -8.483 -2.857 1.00 0.00 N ATOM 154 CA GLU A 13 -7.891 -7.771 -3.021 1.00 0.00 C ATOM 155 C GLU A 13 -7.886 -6.486 -2.201 1.00 0.00 C ATOM 156 O GLU A 13 -7.383 -6.460 -1.076 1.00 0.00 O ATOM 157 CB GLU A 13 -9.066 -8.668 -2.619 1.00 0.00 C ATOM 158 CG GLU A 13 -8.982 -9.202 -1.197 1.00 0.00 C ATOM 159 CD GLU A 13 -10.069 -10.212 -0.896 1.00 0.00 C ATOM 160 OE1 GLU A 13 -9.858 -11.411 -1.171 1.00 0.00 O ATOM 161 OE2 GLU A 13 -11.145 -9.816 -0.405 1.00 0.00 O ATOM 0 H GLU A 13 -6.341 -8.608 -1.887 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.008 -7.505 -4.072 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.993 -8.106 -2.730 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.119 -9.510 -3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.007 -9.664 -1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.056 -8.372 -0.495 1.00 0.00 H new ATOM 166 N LEU A 14 -8.430 -5.421 -2.777 1.00 0.00 N ATOM 167 CA LEU A 14 -8.486 -4.132 -2.105 1.00 0.00 C ATOM 168 C LEU A 14 -9.914 -3.610 -2.037 1.00 0.00 C ATOM 169 O LEU A 14 -10.590 -3.479 -3.059 1.00 0.00 O ATOM 170 CB LEU A 14 -7.594 -3.116 -2.824 1.00 0.00 C ATOM 171 CG LEU A 14 -7.650 -1.685 -2.276 1.00 0.00 C ATOM 172 CD1 LEU A 14 -7.270 -1.646 -0.806 1.00 0.00 C ATOM 173 CD2 LEU A 14 -6.736 -0.789 -3.072 1.00 0.00 C ATOM 0 H LEU A 14 -8.840 -5.427 -3.711 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.122 -4.270 -1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.563 -3.465 -2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.874 -3.094 -3.877 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.675 -1.326 -2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.319 -0.619 -0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.962 -2.265 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.256 -2.027 -0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.784 0.225 -2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.713 -1.159 -3.002 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.050 -0.784 -4.116 1.00 0.00 H new ATOM 184 N TYR A 15 -10.365 -3.331 -0.825 1.00 0.00 N ATOM 185 CA TYR A 15 -11.707 -2.809 -0.605 1.00 0.00 C ATOM 186 C TYR A 15 -11.667 -1.629 0.359 1.00 0.00 C ATOM 187 O TYR A 15 -11.493 -1.803 1.567 1.00 0.00 O ATOM 188 CB TYR A 15 -12.630 -3.905 -0.066 1.00 0.00 C ATOM 189 CG TYR A 15 -12.877 -5.019 -1.055 1.00 0.00 C ATOM 190 CD1 TYR A 15 -13.855 -4.898 -2.031 1.00 0.00 C ATOM 191 CD2 TYR A 15 -12.126 -6.186 -1.020 1.00 0.00 C ATOM 192 CE1 TYR A 15 -14.080 -5.908 -2.944 1.00 0.00 C ATOM 193 CE2 TYR A 15 -12.346 -7.202 -1.931 1.00 0.00 C ATOM 194 CZ TYR A 15 -13.324 -7.057 -2.891 1.00 0.00 C ATOM 195 OH TYR A 15 -13.546 -8.063 -3.807 1.00 0.00 O ATOM 0 H TYR A 15 -9.819 -3.458 0.027 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.102 -2.465 -1.561 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -12.194 -4.324 0.841 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -13.585 -3.460 0.215 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -14.450 -3.998 -2.077 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -11.358 -6.302 -0.269 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -14.846 -5.797 -3.697 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.755 -8.105 -1.891 1.00 0.00 H new ATOM 0 HH TYR A 15 -12.929 -8.805 -3.634 1.00 0.00 H new ATOM 204 N GLY A 16 -11.795 -0.428 -0.184 1.00 0.00 N ATOM 205 CA GLY A 16 -11.771 0.767 0.634 1.00 0.00 C ATOM 206 C GLY A 16 -10.361 1.170 1.016 1.00 0.00 C ATOM 207 O GLY A 16 -9.874 2.223 0.608 1.00 0.00 O ATOM 0 H GLY A 16 -11.916 -0.259 -1.183 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.247 1.585 0.093 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.357 0.599 1.538 1.00 0.00 H new ATOM 211 N TYR A 17 -9.704 0.326 1.801 1.00 0.00 N ATOM 212 CA TYR A 17 -8.341 0.588 2.245 1.00 0.00 C ATOM 213 C TYR A 17 -7.713 -0.655 2.873 1.00 0.00 C ATOM 214 O TYR A 17 -6.753 -0.558 3.644 1.00 0.00 O ATOM 215 CB TYR A 17 -8.314 1.754 3.243 1.00 0.00 C ATOM 216 CG TYR A 17 -9.229 1.572 4.444 1.00 0.00 C ATOM 217 CD1 TYR A 17 -10.546 2.013 4.409 1.00 0.00 C ATOM 218 CD2 TYR A 17 -8.772 0.969 5.611 1.00 0.00 C ATOM 219 CE1 TYR A 17 -11.381 1.856 5.497 1.00 0.00 C ATOM 220 CE2 TYR A 17 -9.601 0.807 6.704 1.00 0.00 C ATOM 221 CZ TYR A 17 -10.906 1.252 6.641 1.00 0.00 C ATOM 222 OH TYR A 17 -11.737 1.097 7.730 1.00 0.00 O ATOM 0 H TYR A 17 -10.096 -0.551 2.145 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.754 0.859 1.368 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.292 1.890 3.597 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.595 2.669 2.722 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -10.923 2.487 3.515 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.751 0.621 5.664 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.402 2.205 5.452 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.230 0.335 7.602 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.248 0.652 8.454 1.00 0.00 H new ATOM 231 N ILE A 18 -8.252 -1.820 2.544 1.00 0.00 N ATOM 232 CA ILE A 18 -7.739 -3.074 3.074 1.00 0.00 C ATOM 233 C ILE A 18 -7.204 -3.949 1.948 1.00 0.00 C ATOM 234 O ILE A 18 -7.881 -4.159 0.942 1.00 0.00 O ATOM 235 CB ILE A 18 -8.812 -3.856 3.866 1.00 0.00 C ATOM 236 CG1 ILE A 18 -10.020 -4.185 2.980 1.00 0.00 C ATOM 237 CG2 ILE A 18 -9.250 -3.065 5.090 1.00 0.00 C ATOM 238 CD1 ILE A 18 -11.039 -5.084 3.647 1.00 0.00 C ATOM 0 H ILE A 18 -9.046 -1.923 1.912 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.931 -2.820 3.761 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.370 -4.796 4.197 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.507 -3.255 2.685 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.669 -4.664 2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -10.006 -3.629 5.637 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.390 -2.889 5.736 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.668 -2.109 4.775 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.864 -5.272 2.959 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.569 -6.030 3.917 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -11.420 -4.599 4.546 1.00 0.00 H new ATOM 249 N LEU A 19 -5.983 -4.434 2.104 1.00 0.00 N ATOM 250 CA LEU A 19 -5.372 -5.282 1.093 1.00 0.00 C ATOM 251 C LEU A 19 -5.034 -6.637 1.669 1.00 0.00 C ATOM 252 O LEU A 19 -4.194 -6.747 2.555 1.00 0.00 O ATOM 253 CB LEU A 19 -4.092 -4.647 0.549 1.00 0.00 C ATOM 254 CG LEU A 19 -4.091 -4.340 -0.946 1.00 0.00 C ATOM 255 CD1 LEU A 19 -2.811 -3.617 -1.325 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.247 -5.617 -1.757 1.00 0.00 C ATOM 0 H LEU A 19 -5.396 -4.256 2.919 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.092 -5.396 0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.909 -3.720 1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.257 -5.313 0.765 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.939 -3.693 -1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.818 -3.401 -2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.742 -2.683 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.953 -4.247 -1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.244 -5.376 -2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.420 -6.292 -1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.189 -6.100 -1.497 1.00 0.00 H new ATOM 267 N ARG A 20 -5.691 -7.662 1.181 1.00 0.00 N ATOM 268 CA ARG A 20 -5.409 -9.003 1.635 1.00 0.00 C ATOM 269 C ARG A 20 -4.822 -9.788 0.486 1.00 0.00 C ATOM 270 O ARG A 20 -5.304 -9.693 -0.640 1.00 0.00 O ATOM 271 CB ARG A 20 -6.658 -9.711 2.147 1.00 0.00 C ATOM 272 CG ARG A 20 -6.343 -11.059 2.777 1.00 0.00 C ATOM 273 CD ARG A 20 -7.515 -12.012 2.657 1.00 0.00 C ATOM 274 NE ARG A 20 -8.679 -11.546 3.405 1.00 0.00 N ATOM 275 CZ ARG A 20 -9.938 -11.795 3.054 1.00 0.00 C ATOM 276 NH1 ARG A 20 -10.202 -12.518 1.975 1.00 0.00 N ATOM 277 NH2 ARG A 20 -10.932 -11.323 3.790 1.00 0.00 N ATOM 0 H ARG A 20 -6.422 -7.594 0.472 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.706 -8.941 2.465 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.156 -9.078 2.881 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.356 -9.853 1.322 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.468 -11.493 2.293 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.090 -10.921 3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.782 -12.128 1.607 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.220 -12.996 3.021 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.517 -10.996 4.248 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.438 -12.887 1.409 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.169 -12.706 1.711 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.732 -10.770 4.623 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.898 -11.512 3.524 1.00 0.00 H new ATOM 288 N GLY A 21 -3.781 -10.540 0.761 1.00 0.00 N ATOM 289 CA GLY A 21 -3.161 -11.324 -0.271 1.00 0.00 C ATOM 290 C GLY A 21 -2.434 -12.520 0.277 1.00 0.00 C ATOM 291 O GLY A 21 -2.236 -12.639 1.488 1.00 0.00 O ATOM 0 H GLY A 21 -3.352 -10.622 1.683 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.922 -11.657 -0.977 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.461 -10.700 -0.827 1.00 0.00 H new ATOM 295 N ASP A 22 -2.048 -13.409 -0.613 1.00 0.00 N ATOM 296 CA ASP A 22 -1.335 -14.608 -0.235 1.00 0.00 C ATOM 297 C ASP A 22 0.145 -14.423 -0.505 1.00 0.00 C ATOM 298 O ASP A 22 0.582 -14.475 -1.656 1.00 0.00 O ATOM 299 CB ASP A 22 -1.857 -15.814 -1.017 1.00 0.00 C ATOM 300 CG ASP A 22 -3.297 -16.150 -0.693 1.00 0.00 C ATOM 301 OD1 ASP A 22 -3.543 -16.826 0.327 1.00 0.00 O ATOM 302 OD2 ASP A 22 -4.197 -15.749 -1.463 1.00 0.00 O ATOM 0 H ASP A 22 -2.219 -13.321 -1.615 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.493 -14.790 0.828 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.768 -15.614 -2.085 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.230 -16.679 -0.801 1.00 0.00 H new ATOM 306 N CYS A 23 0.915 -14.221 0.547 1.00 0.00 N ATOM 307 CA CYS A 23 2.347 -14.028 0.405 1.00 0.00 C ATOM 308 C CYS A 23 3.074 -15.289 0.841 1.00 0.00 C ATOM 309 O CYS A 23 2.808 -15.832 1.908 1.00 0.00 O ATOM 310 CB CYS A 23 2.814 -12.832 1.241 1.00 0.00 C ATOM 311 SG CYS A 23 2.961 -11.253 0.330 1.00 0.00 S ATOM 0 H CYS A 23 0.575 -14.186 1.508 1.00 0.00 H new ATOM 0 HA CYS A 23 2.575 -13.823 -0.641 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.117 -12.693 2.067 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.783 -13.072 1.679 1.00 0.00 H new ATOM 315 N ILE A 24 4.003 -15.733 0.016 1.00 0.00 N ATOM 316 CA ILE A 24 4.759 -16.946 0.280 1.00 0.00 C ATOM 317 C ILE A 24 5.737 -16.759 1.434 1.00 0.00 C ATOM 318 O ILE A 24 6.408 -15.730 1.536 1.00 0.00 O ATOM 319 CB ILE A 24 5.528 -17.390 -0.984 1.00 0.00 C ATOM 320 CG1 ILE A 24 4.550 -17.658 -2.132 1.00 0.00 C ATOM 321 CG2 ILE A 24 6.371 -18.620 -0.701 1.00 0.00 C ATOM 322 CD1 ILE A 24 5.220 -18.109 -3.410 1.00 0.00 C ATOM 0 H ILE A 24 4.256 -15.265 -0.855 1.00 0.00 H new ATOM 0 HA ILE A 24 4.044 -17.719 0.560 1.00 0.00 H new ATOM 0 HB ILE A 24 6.199 -16.583 -1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.836 -18.420 -1.819 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.981 -16.750 -2.332 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.903 -18.913 -1.606 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.091 -18.395 0.086 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.726 -19.437 -0.379 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.464 -18.279 -4.177 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.913 -17.339 -3.749 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.766 -19.034 -3.227 1.00 0.00 H new ATOM 333 N ASN A 25 5.790 -17.749 2.314 1.00 0.00 N ATOM 334 CA ASN A 25 6.699 -17.709 3.447 1.00 0.00 C ATOM 335 C ASN A 25 7.932 -18.550 3.137 1.00 0.00 C ATOM 336 O ASN A 25 8.041 -19.089 2.036 1.00 0.00 O ATOM 337 CB ASN A 25 6.003 -18.194 4.732 1.00 0.00 C ATOM 338 CG ASN A 25 5.901 -19.700 4.838 1.00 0.00 C ATOM 339 OD1 ASN A 25 6.750 -20.345 5.447 1.00 0.00 O ATOM 340 ND2 ASN A 25 4.867 -20.268 4.250 1.00 0.00 N ATOM 0 H ASN A 25 5.214 -18.589 2.264 1.00 0.00 H new ATOM 0 HA ASN A 25 7.009 -16.678 3.618 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.549 -17.814 5.596 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.001 -17.767 4.775 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.750 -21.280 4.291 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.184 -19.695 3.754 1.00 0.00 H new ATOM 346 N GLU A 26 8.837 -18.681 4.097 1.00 0.00 N ATOM 347 CA GLU A 26 10.070 -19.446 3.896 1.00 0.00 C ATOM 348 C GLU A 26 9.796 -20.874 3.413 1.00 0.00 C ATOM 349 O GLU A 26 10.571 -21.430 2.634 1.00 0.00 O ATOM 350 CB GLU A 26 10.890 -19.471 5.187 1.00 0.00 C ATOM 351 CG GLU A 26 10.133 -20.014 6.386 1.00 0.00 C ATOM 352 CD GLU A 26 10.926 -19.910 7.668 1.00 0.00 C ATOM 353 OE1 GLU A 26 11.761 -20.798 7.932 1.00 0.00 O ATOM 354 OE2 GLU A 26 10.715 -18.941 8.423 1.00 0.00 O ATOM 0 H GLU A 26 8.745 -18.269 5.025 1.00 0.00 H new ATOM 0 HA GLU A 26 10.639 -18.945 3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.782 -20.077 5.028 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.228 -18.459 5.411 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.196 -19.468 6.497 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.875 -21.058 6.206 1.00 0.00 H new ATOM 359 N ASP A 27 8.679 -21.448 3.857 1.00 0.00 N ATOM 360 CA ASP A 27 8.299 -22.810 3.479 1.00 0.00 C ATOM 361 C ASP A 27 8.083 -22.937 1.976 1.00 0.00 C ATOM 362 O ASP A 27 8.292 -24.000 1.393 1.00 0.00 O ATOM 363 CB ASP A 27 7.027 -23.234 4.210 1.00 0.00 C ATOM 364 CG ASP A 27 6.581 -24.639 3.848 1.00 0.00 C ATOM 365 OD1 ASP A 27 7.420 -25.565 3.880 1.00 0.00 O ATOM 366 OD2 ASP A 27 5.390 -24.820 3.523 1.00 0.00 O ATOM 0 H ASP A 27 8.017 -20.989 4.483 1.00 0.00 H new ATOM 0 HA ASP A 27 9.122 -23.465 3.766 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.195 -23.177 5.285 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.227 -22.532 3.975 1.00 0.00 H new ATOM 370 N GLY A 28 7.676 -21.846 1.349 1.00 0.00 N ATOM 371 CA GLY A 28 7.433 -21.870 -0.076 1.00 0.00 C ATOM 372 C GLY A 28 5.957 -21.877 -0.401 1.00 0.00 C ATOM 373 O GLY A 28 5.569 -21.914 -1.565 1.00 0.00 O ATOM 0 H GLY A 28 7.510 -20.946 1.800 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.901 -21.001 -0.538 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.903 -22.753 -0.509 1.00 0.00 H new ATOM 377 N HIS A 29 5.131 -21.844 0.633 1.00 0.00 N ATOM 378 CA HIS A 29 3.687 -21.836 0.452 1.00 0.00 C ATOM 379 C HIS A 29 3.112 -20.463 0.778 1.00 0.00 C ATOM 380 O HIS A 29 3.585 -19.780 1.693 1.00 0.00 O ATOM 381 CB HIS A 29 3.022 -22.910 1.319 1.00 0.00 C ATOM 382 CG HIS A 29 3.112 -24.286 0.735 1.00 0.00 C ATOM 383 ND1 HIS A 29 2.023 -24.955 0.224 1.00 0.00 N ATOM 384 CD2 HIS A 29 4.169 -25.114 0.574 1.00 0.00 C ATOM 385 CE1 HIS A 29 2.405 -26.135 -0.226 1.00 0.00 C ATOM 386 NE2 HIS A 29 3.704 -26.258 -0.028 1.00 0.00 N ATOM 0 H HIS A 29 5.435 -21.822 1.606 1.00 0.00 H new ATOM 0 HA HIS A 29 3.478 -22.061 -0.594 1.00 0.00 H new ATOM 0 HB2 HIS A 29 3.488 -22.910 2.304 1.00 0.00 H new ATOM 0 HB3 HIS A 29 1.973 -22.652 1.462 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.190 -24.913 0.865 1.00 0.00 H new ATOM 0 HE1 HIS A 29 1.763 -26.875 -0.680 1.00 0.00 H new ATOM 0 HE2 HIS A 29 4.269 -27.069 -0.280 1.00 0.00 H new ATOM 394 N PRO A 30 2.114 -20.030 -0.006 1.00 0.00 N ATOM 395 CA PRO A 30 1.453 -18.736 0.186 1.00 0.00 C ATOM 396 C PRO A 30 0.640 -18.680 1.478 1.00 0.00 C ATOM 397 O PRO A 30 -0.162 -19.567 1.763 1.00 0.00 O ATOM 398 CB PRO A 30 0.532 -18.618 -1.030 1.00 0.00 C ATOM 399 CG PRO A 30 0.312 -20.016 -1.493 1.00 0.00 C ATOM 400 CD PRO A 30 1.568 -20.765 -1.162 1.00 0.00 C ATOM 0 HA PRO A 30 2.175 -17.924 0.270 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.410 -18.139 -0.765 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.989 -18.012 -1.812 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.550 -20.461 -0.995 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.111 -20.045 -2.564 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.361 -21.806 -0.914 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.265 -20.770 -2.000 1.00 0.00 H new ATOM 405 N HIS A 31 0.858 -17.630 2.249 1.00 0.00 N ATOM 406 CA HIS A 31 0.165 -17.433 3.509 1.00 0.00 C ATOM 407 C HIS A 31 -0.726 -16.200 3.425 1.00 0.00 C ATOM 408 O HIS A 31 -0.292 -15.143 2.959 1.00 0.00 O ATOM 409 CB HIS A 31 1.183 -17.273 4.643 1.00 0.00 C ATOM 410 CG HIS A 31 0.566 -17.113 6.000 1.00 0.00 C ATOM 411 ND1 HIS A 31 0.695 -15.968 6.751 1.00 0.00 N ATOM 412 CD2 HIS A 31 -0.182 -17.962 6.742 1.00 0.00 C ATOM 413 CE1 HIS A 31 0.053 -16.118 7.894 1.00 0.00 C ATOM 414 NE2 HIS A 31 -0.490 -17.321 7.914 1.00 0.00 N ATOM 0 H HIS A 31 1.521 -16.890 2.019 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.458 -18.303 3.714 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.839 -18.144 4.654 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.809 -16.405 4.435 1.00 0.00 H new ATOM 0 HD1 HIS A 31 1.207 -15.133 6.468 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.481 -18.961 6.462 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.016 -15.381 8.680 1.00 0.00 H new ATOM 422 N ALA A 32 -1.965 -16.345 3.866 1.00 0.00 N ATOM 423 CA ALA A 32 -2.922 -15.248 3.843 1.00 0.00 C ATOM 424 C ALA A 32 -2.542 -14.149 4.831 1.00 0.00 C ATOM 425 O ALA A 32 -2.359 -14.399 6.024 1.00 0.00 O ATOM 426 CB ALA A 32 -4.318 -15.765 4.146 1.00 0.00 C ATOM 0 H ALA A 32 -2.334 -17.216 4.246 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.907 -14.815 2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.025 -14.936 4.126 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.603 -16.503 3.397 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.329 -16.227 5.133 1.00 0.00 H new ATOM 432 N THR A 33 -2.411 -12.937 4.319 1.00 0.00 N ATOM 433 CA THR A 33 -2.068 -11.783 5.133 1.00 0.00 C ATOM 434 C THR A 33 -2.821 -10.561 4.622 1.00 0.00 C ATOM 435 O THR A 33 -3.178 -10.494 3.447 1.00 0.00 O ATOM 436 CB THR A 33 -0.547 -11.516 5.113 1.00 0.00 C ATOM 437 OG1 THR A 33 -0.221 -10.408 5.961 1.00 0.00 O ATOM 438 CG2 THR A 33 -0.068 -11.240 3.697 1.00 0.00 C ATOM 0 H THR A 33 -2.539 -12.725 3.329 1.00 0.00 H new ATOM 0 HA THR A 33 -2.357 -11.988 6.164 1.00 0.00 H new ATOM 0 HB THR A 33 -0.043 -12.408 5.486 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.116 -10.741 6.819 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.006 -11.055 3.706 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.282 -12.103 3.066 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.584 -10.365 3.302 1.00 0.00 H new ATOM 446 N SER A 34 -3.076 -9.610 5.500 1.00 0.00 N ATOM 447 CA SER A 34 -3.791 -8.404 5.122 1.00 0.00 C ATOM 448 C SER A 34 -3.128 -7.170 5.705 1.00 0.00 C ATOM 449 O SER A 34 -2.576 -7.218 6.799 1.00 0.00 O ATOM 450 CB SER A 34 -5.243 -8.495 5.578 1.00 0.00 C ATOM 451 OG SER A 34 -5.340 -8.919 6.931 1.00 0.00 O ATOM 0 H SER A 34 -2.799 -9.648 6.481 1.00 0.00 H new ATOM 0 HA SER A 34 -3.765 -8.315 4.036 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.722 -7.522 5.465 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.783 -9.192 4.938 1.00 0.00 H new ATOM 0 HG SER A 34 -6.283 -8.965 7.192 1.00 0.00 H new ATOM 456 N ILE A 35 -3.170 -6.073 4.962 1.00 0.00 N ATOM 457 CA ILE A 35 -2.560 -4.836 5.412 1.00 0.00 C ATOM 458 C ILE A 35 -3.534 -3.666 5.266 1.00 0.00 C ATOM 459 O ILE A 35 -4.414 -3.679 4.402 1.00 0.00 O ATOM 460 CB ILE A 35 -1.269 -4.492 4.617 1.00 0.00 C ATOM 461 CG1 ILE A 35 -0.436 -5.738 4.311 1.00 0.00 C ATOM 462 CG2 ILE A 35 -0.419 -3.490 5.384 1.00 0.00 C ATOM 463 CD1 ILE A 35 -0.814 -6.424 3.010 1.00 0.00 C ATOM 0 H ILE A 35 -3.619 -6.017 4.048 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.301 -4.989 6.460 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.586 -4.054 3.670 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.617 -5.459 4.271 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.547 -6.448 5.131 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.480 -3.262 4.811 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.990 -2.575 5.543 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.137 -3.914 6.348 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.180 -7.298 2.862 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.858 -6.736 3.053 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.676 -5.731 2.180 1.00 0.00 H new ATOM 474 N ASN A 36 -3.372 -2.661 6.117 1.00 0.00 N ATOM 475 CA ASN A 36 -4.214 -1.472 6.078 1.00 0.00 C ATOM 476 C ASN A 36 -3.463 -0.319 5.433 1.00 0.00 C ATOM 477 O ASN A 36 -2.754 0.427 6.104 1.00 0.00 O ATOM 478 CB ASN A 36 -4.666 -1.077 7.483 1.00 0.00 C ATOM 479 CG ASN A 36 -5.832 -1.908 7.975 1.00 0.00 C ATOM 480 OD1 ASN A 36 -6.698 -2.315 7.059 1.00 0.00 O flip ATOM 481 ND2 ASN A 36 -5.960 -2.174 9.171 1.00 0.00 N flip ATOM 0 H ASN A 36 -2.660 -2.646 6.847 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.098 -1.702 5.483 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -3.830 -1.186 8.174 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.948 -0.024 7.487 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.270 -1.841 9.844 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.756 -2.727 9.488 1.00 0.00 H new ATOM 487 N LEU A 37 -3.652 -0.165 4.128 1.00 0.00 N ATOM 488 CA LEU A 37 -2.985 0.881 3.355 1.00 0.00 C ATOM 489 C LEU A 37 -3.353 2.260 3.882 1.00 0.00 C ATOM 490 O LEU A 37 -2.606 3.221 3.712 1.00 0.00 O ATOM 491 CB LEU A 37 -3.372 0.809 1.868 1.00 0.00 C ATOM 492 CG LEU A 37 -3.230 -0.552 1.180 1.00 0.00 C ATOM 493 CD1 LEU A 37 -1.922 -1.226 1.564 1.00 0.00 C ATOM 494 CD2 LEU A 37 -4.423 -1.442 1.494 1.00 0.00 C ATOM 0 H LEU A 37 -4.270 -0.759 3.575 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.912 0.718 3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.409 1.131 1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.762 1.530 1.323 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.210 -0.386 0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.848 -2.190 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.086 -0.595 1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.893 -1.377 2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.301 -2.403 0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.487 -1.598 2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.337 -0.964 1.141 1.00 0.00 H new ATOM 505 N ASN A 38 -4.508 2.336 4.528 1.00 0.00 N ATOM 506 CA ASN A 38 -5.016 3.588 5.078 1.00 0.00 C ATOM 507 C ASN A 38 -4.013 4.246 6.020 1.00 0.00 C ATOM 508 O ASN A 38 -3.959 5.465 6.111 1.00 0.00 O ATOM 509 CB ASN A 38 -6.329 3.338 5.829 1.00 0.00 C ATOM 510 CG ASN A 38 -6.965 4.606 6.374 1.00 0.00 C ATOM 511 OD1 ASN A 38 -6.663 5.040 7.481 1.00 0.00 O ATOM 512 ND2 ASN A 38 -7.878 5.190 5.611 1.00 0.00 N ATOM 0 H ASN A 38 -5.119 1.535 4.686 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.187 4.264 4.241 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.034 2.846 5.159 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.142 2.651 6.654 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.356 6.029 5.939 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.103 4.800 4.696 1.00 0.00 H new ATOM 518 N TYR A 39 -3.211 3.443 6.697 1.00 0.00 N ATOM 519 CA TYR A 39 -2.242 3.974 7.643 1.00 0.00 C ATOM 520 C TYR A 39 -0.823 3.907 7.088 1.00 0.00 C ATOM 521 O TYR A 39 0.146 4.043 7.836 1.00 0.00 O ATOM 522 CB TYR A 39 -2.330 3.205 8.965 1.00 0.00 C ATOM 523 CG TYR A 39 -3.723 3.192 9.559 1.00 0.00 C ATOM 524 CD1 TYR A 39 -4.219 4.293 10.244 1.00 0.00 C ATOM 525 CD2 TYR A 39 -4.545 2.080 9.422 1.00 0.00 C ATOM 526 CE1 TYR A 39 -5.493 4.287 10.778 1.00 0.00 C ATOM 527 CE2 TYR A 39 -5.822 2.066 9.951 1.00 0.00 C ATOM 528 CZ TYR A 39 -6.290 3.172 10.629 1.00 0.00 C ATOM 529 OH TYR A 39 -7.561 3.164 11.157 1.00 0.00 O ATOM 0 H TYR A 39 -3.210 2.427 6.611 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.480 5.023 7.817 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.002 2.178 8.803 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.641 3.650 9.683 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.598 5.169 10.361 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.180 1.212 8.893 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.863 5.151 11.310 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.449 1.195 9.834 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.990 2.305 10.963 1.00 0.00 H new ATOM 538 N TYR A 40 -0.696 3.694 5.780 1.00 0.00 N ATOM 539 CA TYR A 40 0.624 3.607 5.160 1.00 0.00 C ATOM 540 C TYR A 40 0.756 4.490 3.926 1.00 0.00 C ATOM 541 O TYR A 40 1.860 4.893 3.574 1.00 0.00 O ATOM 542 CB TYR A 40 0.969 2.153 4.820 1.00 0.00 C ATOM 543 CG TYR A 40 1.054 1.267 6.040 1.00 0.00 C ATOM 544 CD1 TYR A 40 1.932 1.565 7.073 1.00 0.00 C ATOM 545 CD2 TYR A 40 0.251 0.145 6.165 1.00 0.00 C ATOM 546 CE1 TYR A 40 2.003 0.770 8.199 1.00 0.00 C ATOM 547 CE2 TYR A 40 0.317 -0.658 7.288 1.00 0.00 C ATOM 548 CZ TYR A 40 1.194 -0.339 8.302 1.00 0.00 C ATOM 549 OH TYR A 40 1.259 -1.131 9.423 1.00 0.00 O ATOM 0 H TYR A 40 -1.479 3.580 5.137 1.00 0.00 H new ATOM 0 HA TYR A 40 1.338 3.981 5.894 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.215 1.756 4.141 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.921 2.125 4.290 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.570 2.433 6.994 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.438 -0.106 5.372 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.690 1.017 8.995 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.315 -1.530 7.370 1.00 0.00 H new ATOM 0 HH TYR A 40 0.623 -1.871 9.338 1.00 0.00 H new ATOM 558 N ILE A 41 -0.358 4.802 3.281 1.00 0.00 N ATOM 559 CA ILE A 41 -0.342 5.649 2.094 1.00 0.00 C ATOM 560 C ILE A 41 -1.026 6.976 2.390 1.00 0.00 C ATOM 561 O ILE A 41 -2.029 7.019 3.108 1.00 0.00 O ATOM 562 CB ILE A 41 -1.043 4.976 0.890 1.00 0.00 C ATOM 563 CG1 ILE A 41 -0.154 3.915 0.243 1.00 0.00 C ATOM 564 CG2 ILE A 41 -1.456 6.007 -0.150 1.00 0.00 C ATOM 565 CD1 ILE A 41 -0.143 2.599 0.976 1.00 0.00 C ATOM 0 H ILE A 41 -1.286 4.482 3.558 1.00 0.00 H new ATOM 0 HA ILE A 41 0.703 5.814 1.831 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.937 4.486 1.275 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.491 3.747 -0.780 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.866 4.296 0.184 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.946 5.506 -0.985 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.146 6.721 0.300 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.573 6.534 -0.511 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.510 1.898 0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.223 2.751 1.991 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.154 2.194 1.012 1.00 0.00 H new ATOM 576 N GLY A 42 -0.484 8.054 1.842 1.00 0.00 N ATOM 577 CA GLY A 42 -1.060 9.357 2.071 1.00 0.00 C ATOM 578 C GLY A 42 -1.623 9.969 0.814 1.00 0.00 C ATOM 579 O GLY A 42 -1.396 9.471 -0.291 1.00 0.00 O ATOM 0 H GLY A 42 0.343 8.047 1.245 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.851 9.275 2.817 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.299 10.019 2.484 1.00 0.00 H new ATOM 583 N ASN A 43 -2.350 11.059 0.984 1.00 0.00 N ATOM 584 CA ASN A 43 -2.975 11.750 -0.132 1.00 0.00 C ATOM 585 C ASN A 43 -2.458 13.179 -0.246 1.00 0.00 C ATOM 586 O ASN A 43 -2.674 14.005 0.644 1.00 0.00 O ATOM 587 CB ASN A 43 -4.502 11.739 0.024 1.00 0.00 C ATOM 588 CG ASN A 43 -5.209 12.628 -0.985 1.00 0.00 C ATOM 589 OD1 ASN A 43 -4.703 12.882 -2.074 1.00 0.00 O ATOM 590 ND2 ASN A 43 -6.400 13.088 -0.637 1.00 0.00 N ATOM 0 H ASN A 43 -2.524 11.489 1.893 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.714 11.224 -1.050 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.865 10.717 -0.084 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.761 12.065 1.031 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.929 13.674 -1.283 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.789 12.856 0.277 1.00 0.00 H new ATOM 596 N ASP A 44 -1.754 13.454 -1.333 1.00 0.00 N ATOM 597 CA ASP A 44 -1.212 14.782 -1.588 1.00 0.00 C ATOM 598 C ASP A 44 -1.934 15.429 -2.761 1.00 0.00 C ATOM 599 O ASP A 44 -1.764 15.009 -3.905 1.00 0.00 O ATOM 600 CB ASP A 44 0.289 14.708 -1.871 1.00 0.00 C ATOM 601 CG ASP A 44 0.886 16.065 -2.190 1.00 0.00 C ATOM 602 OD1 ASP A 44 1.216 16.810 -1.244 1.00 0.00 O ATOM 603 OD2 ASP A 44 1.025 16.396 -3.388 1.00 0.00 O ATOM 0 H ASP A 44 -1.543 12.770 -2.059 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.366 15.392 -0.698 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.798 14.285 -1.005 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.465 14.031 -2.707 1.00 0.00 H new ATOM 607 N ASN A 45 -2.760 16.428 -2.465 1.00 0.00 N ATOM 608 CA ASN A 45 -3.518 17.155 -3.483 1.00 0.00 C ATOM 609 C ASN A 45 -4.298 16.216 -4.396 1.00 0.00 C ATOM 610 O ASN A 45 -4.320 16.393 -5.617 1.00 0.00 O ATOM 611 CB ASN A 45 -2.592 18.045 -4.313 1.00 0.00 C ATOM 612 CG ASN A 45 -2.370 19.412 -3.691 1.00 0.00 C ATOM 613 OD1 ASN A 45 -2.409 19.571 -2.471 1.00 0.00 O ATOM 614 ND2 ASN A 45 -2.129 20.412 -4.529 1.00 0.00 N ATOM 0 H ASN A 45 -2.924 16.758 -1.514 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.239 17.781 -2.958 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.630 17.546 -4.434 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.014 18.170 -5.310 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.968 21.352 -4.168 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.105 20.240 -5.534 1.00 0.00 H new ATOM 620 N GLY A 46 -4.919 15.208 -3.805 1.00 0.00 N ATOM 621 CA GLY A 46 -5.706 14.270 -4.580 1.00 0.00 C ATOM 622 C GLY A 46 -4.873 13.213 -5.279 1.00 0.00 C ATOM 623 O GLY A 46 -5.344 12.573 -6.216 1.00 0.00 O ATOM 0 H GLY A 46 -4.893 15.022 -2.803 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.423 13.779 -3.922 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.281 14.819 -5.325 1.00 0.00 H new ATOM 627 N ARG A 47 -3.638 13.028 -4.834 1.00 0.00 N ATOM 628 CA ARG A 47 -2.748 12.041 -5.434 1.00 0.00 C ATOM 629 C ARG A 47 -2.223 11.067 -4.390 1.00 0.00 C ATOM 630 O ARG A 47 -2.056 11.418 -3.220 1.00 0.00 O ATOM 631 CB ARG A 47 -1.585 12.731 -6.142 1.00 0.00 C ATOM 632 CG ARG A 47 -1.644 12.629 -7.660 1.00 0.00 C ATOM 633 CD ARG A 47 -2.972 13.121 -8.218 1.00 0.00 C ATOM 634 NE ARG A 47 -3.231 14.525 -7.888 1.00 0.00 N ATOM 635 CZ ARG A 47 -3.386 15.487 -8.798 1.00 0.00 C ATOM 636 NH1 ARG A 47 -3.254 15.215 -10.092 1.00 0.00 N ATOM 637 NH2 ARG A 47 -3.664 16.725 -8.406 1.00 0.00 N ATOM 0 H ARG A 47 -3.228 13.549 -4.059 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.323 11.476 -6.168 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.571 13.783 -5.858 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.649 12.295 -5.794 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.831 13.212 -8.093 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.488 11.593 -7.959 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.976 12.999 -9.301 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.779 12.503 -7.825 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.297 14.782 -6.903 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.033 14.266 -10.394 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.374 15.955 -10.784 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.758 16.936 -7.413 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.783 17.464 -9.098 1.00 0.00 H new ATOM 648 N LEU A 48 -1.952 9.851 -4.837 1.00 0.00 N ATOM 649 CA LEU A 48 -1.459 8.789 -3.970 1.00 0.00 C ATOM 650 C LEU A 48 0.047 8.900 -3.767 1.00 0.00 C ATOM 651 O LEU A 48 0.820 8.783 -4.719 1.00 0.00 O ATOM 652 CB LEU A 48 -1.808 7.432 -4.591 1.00 0.00 C ATOM 653 CG LEU A 48 -3.271 7.267 -4.990 1.00 0.00 C ATOM 654 CD1 LEU A 48 -3.522 5.873 -5.533 1.00 0.00 C ATOM 655 CD2 LEU A 48 -4.176 7.555 -3.811 1.00 0.00 C ATOM 0 H LEU A 48 -2.067 9.571 -5.811 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.935 8.883 -2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.186 7.282 -5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.549 6.646 -3.881 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.497 7.984 -5.779 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.571 5.775 -5.812 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.896 5.706 -6.410 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.279 5.135 -4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.216 7.433 -4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.949 6.862 -3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.015 8.578 -3.470 1.00 0.00 H new ATOM 666 N GLU A 49 0.450 9.139 -2.527 1.00 0.00 N ATOM 667 CA GLU A 49 1.860 9.252 -2.180 1.00 0.00 C ATOM 668 C GLU A 49 2.254 8.073 -1.298 1.00 0.00 C ATOM 669 O GLU A 49 1.537 7.756 -0.346 1.00 0.00 O ATOM 670 CB GLU A 49 2.125 10.585 -1.474 1.00 0.00 C ATOM 671 CG GLU A 49 3.559 10.768 -1.005 1.00 0.00 C ATOM 672 CD GLU A 49 3.836 12.175 -0.513 1.00 0.00 C ATOM 673 OE1 GLU A 49 3.511 12.479 0.655 1.00 0.00 O ATOM 674 OE2 GLU A 49 4.381 12.985 -1.295 1.00 0.00 O ATOM 0 H GLU A 49 -0.186 9.259 -1.738 1.00 0.00 H new ATOM 0 HA GLU A 49 2.466 9.230 -3.086 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.870 11.399 -2.152 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.460 10.666 -0.614 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.769 10.059 -0.204 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.238 10.533 -1.825 1.00 0.00 H new ATOM 679 N TYR A 50 3.381 7.427 -1.646 1.00 0.00 N ATOM 680 CA TYR A 50 3.896 6.255 -0.933 1.00 0.00 C ATOM 681 C TYR A 50 3.635 6.266 0.470 1.00 0.00 C ATOM 682 O TYR A 50 2.782 5.497 0.908 1.00 0.00 O ATOM 683 CB TYR A 50 5.376 5.946 -1.172 1.00 0.00 C ATOM 684 CG TYR A 50 6.118 6.836 -2.157 1.00 0.00 C ATOM 685 CD1 TYR A 50 5.756 6.881 -3.493 1.00 0.00 C ATOM 686 CD2 TYR A 50 7.207 7.602 -1.753 1.00 0.00 C ATOM 687 CE1 TYR A 50 6.449 7.656 -4.398 1.00 0.00 C ATOM 688 CE2 TYR A 50 7.902 8.387 -2.652 1.00 0.00 C ATOM 689 CZ TYR A 50 7.517 8.409 -3.974 1.00 0.00 C ATOM 690 OH TYR A 50 8.213 9.173 -4.883 1.00 0.00 O ATOM 0 H TYR A 50 3.961 7.709 -2.436 1.00 0.00 H new ATOM 0 HA TYR A 50 3.320 5.448 -1.386 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.892 5.999 -0.213 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.455 4.916 -1.520 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.913 6.297 -3.833 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.514 7.582 -0.718 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.153 7.671 -5.437 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.742 8.980 -2.320 1.00 0.00 H new ATOM 0 HH TYR A 50 8.938 9.647 -4.425 1.00 0.00 H new ATOM 699 N PRO A 51 4.273 7.037 1.265 1.00 0.00 N ATOM 700 CA PRO A 51 3.948 6.864 2.557 1.00 0.00 C ATOM 701 C PRO A 51 3.132 7.996 3.120 1.00 0.00 C ATOM 702 O PRO A 51 3.462 9.180 2.988 1.00 0.00 O ATOM 703 CB PRO A 51 5.298 6.728 3.133 1.00 0.00 C ATOM 704 CG PRO A 51 6.105 7.775 2.411 1.00 0.00 C ATOM 705 CD PRO A 51 5.382 7.980 1.093 1.00 0.00 C ATOM 0 HA PRO A 51 3.290 6.021 2.767 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.293 6.899 4.209 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.703 5.729 2.971 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.154 8.701 2.984 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.131 7.444 2.252 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.040 9.006 0.960 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.006 7.738 0.233 1.00 0.00 H new ATOM 710 N GLY A 52 2.074 7.619 3.747 1.00 0.00 N ATOM 711 CA GLY A 52 1.182 8.589 4.291 1.00 0.00 C ATOM 712 C GLY A 52 0.224 8.017 5.303 1.00 0.00 C ATOM 713 O GLY A 52 0.451 6.934 5.838 1.00 0.00 O ATOM 0 H GLY A 52 1.802 6.647 3.898 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.763 9.384 4.759 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.614 9.045 3.480 1.00 0.00 H new ATOM 717 N GLU A 53 -0.863 8.740 5.540 1.00 0.00 N ATOM 718 CA GLU A 53 -1.880 8.321 6.495 1.00 0.00 C ATOM 719 C GLU A 53 -3.259 8.862 6.115 1.00 0.00 C ATOM 720 O GLU A 53 -3.384 9.966 5.579 1.00 0.00 O ATOM 721 CB GLU A 53 -1.530 8.801 7.909 1.00 0.00 C ATOM 722 CG GLU A 53 -0.366 8.066 8.554 1.00 0.00 C ATOM 723 CD GLU A 53 0.009 8.643 9.902 1.00 0.00 C ATOM 724 OE1 GLU A 53 -0.615 8.263 10.914 1.00 0.00 O ATOM 725 OE2 GLU A 53 0.923 9.493 9.953 1.00 0.00 O ATOM 0 H GLU A 53 -1.064 9.627 5.079 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.908 7.232 6.475 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.295 9.865 7.870 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.409 8.692 8.544 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.626 7.014 8.672 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.498 8.108 7.891 1.00 0.00 H new ATOM 730 N SER A 54 -4.274 8.056 6.401 1.00 0.00 N ATOM 731 CA SER A 54 -5.671 8.385 6.158 1.00 0.00 C ATOM 732 C SER A 54 -5.955 8.853 4.729 1.00 0.00 C ATOM 733 O SER A 54 -6.729 9.789 4.523 1.00 0.00 O ATOM 734 CB SER A 54 -6.123 9.437 7.165 1.00 0.00 C ATOM 735 OG SER A 54 -5.856 9.010 8.490 1.00 0.00 O ATOM 0 H SER A 54 -4.144 7.134 6.818 1.00 0.00 H new ATOM 0 HA SER A 54 -6.242 7.465 6.285 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.609 10.378 6.970 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.190 9.626 7.047 1.00 0.00 H new ATOM 0 HG SER A 54 -6.151 9.699 9.121 1.00 0.00 H new ATOM 740 N PHE A 55 -5.357 8.200 3.738 1.00 0.00 N ATOM 741 CA PHE A 55 -5.606 8.580 2.353 1.00 0.00 C ATOM 742 C PHE A 55 -7.040 8.214 1.973 1.00 0.00 C ATOM 743 O PHE A 55 -7.736 8.982 1.322 1.00 0.00 O ATOM 744 CB PHE A 55 -4.605 7.913 1.391 1.00 0.00 C ATOM 745 CG PHE A 55 -4.920 6.481 1.048 1.00 0.00 C ATOM 746 CD1 PHE A 55 -4.599 5.456 1.920 1.00 0.00 C ATOM 747 CD2 PHE A 55 -5.541 6.164 -0.152 1.00 0.00 C ATOM 748 CE1 PHE A 55 -4.892 4.144 1.604 1.00 0.00 C ATOM 749 CE2 PHE A 55 -5.837 4.854 -0.470 1.00 0.00 C ATOM 750 CZ PHE A 55 -5.512 3.843 0.409 1.00 0.00 C ATOM 0 H PHE A 55 -4.710 7.421 3.863 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.470 9.658 2.264 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.567 8.493 0.469 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.611 7.955 1.836 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.114 5.684 2.858 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.796 6.952 -0.845 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.636 3.353 2.293 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.323 4.621 -1.406 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.742 2.817 0.163 1.00 0.00 H new ATOM 759 N GLY A 56 -7.490 7.052 2.452 1.00 0.00 N ATOM 760 CA GLY A 56 -8.831 6.568 2.155 1.00 0.00 C ATOM 761 C GLY A 56 -9.924 7.505 2.630 1.00 0.00 C ATOM 762 O GLY A 56 -11.065 7.415 2.179 1.00 0.00 O ATOM 0 H GLY A 56 -6.941 6.432 3.047 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.928 6.423 1.079 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.970 5.593 2.621 1.00 0.00 H new ATOM 766 N SER A 57 -9.581 8.405 3.542 1.00 0.00 N ATOM 767 CA SER A 57 -10.539 9.360 4.068 1.00 0.00 C ATOM 768 C SER A 57 -10.932 10.368 2.981 1.00 0.00 C ATOM 769 O SER A 57 -11.981 11.010 3.060 1.00 0.00 O ATOM 770 CB SER A 57 -9.942 10.076 5.283 1.00 0.00 C ATOM 771 OG SER A 57 -10.912 10.841 5.977 1.00 0.00 O ATOM 0 H SER A 57 -8.642 8.491 3.932 1.00 0.00 H new ATOM 0 HA SER A 57 -11.438 8.831 4.383 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.508 9.340 5.960 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.131 10.728 4.958 1.00 0.00 H new ATOM 0 HG SER A 57 -10.493 11.281 6.746 1.00 0.00 H new ATOM 776 N SER A 58 -10.091 10.491 1.959 1.00 0.00 N ATOM 777 CA SER A 58 -10.352 11.410 0.862 1.00 0.00 C ATOM 778 C SER A 58 -10.096 10.747 -0.496 1.00 0.00 C ATOM 779 O SER A 58 -9.971 11.430 -1.515 1.00 0.00 O ATOM 780 CB SER A 58 -9.488 12.665 1.030 1.00 0.00 C ATOM 781 OG SER A 58 -8.157 12.328 1.393 1.00 0.00 O ATOM 0 H SER A 58 -9.222 9.964 1.870 1.00 0.00 H new ATOM 0 HA SER A 58 -11.404 11.694 0.888 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.481 13.232 0.099 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.924 13.310 1.793 1.00 0.00 H new ATOM 0 HG SER A 58 -7.774 13.048 1.936 1.00 0.00 H new ATOM 786 N CYS A 59 -10.039 9.414 -0.507 1.00 0.00 N ATOM 787 CA CYS A 59 -9.800 8.664 -1.735 1.00 0.00 C ATOM 788 C CYS A 59 -10.888 7.622 -1.964 1.00 0.00 C ATOM 789 O CYS A 59 -11.375 6.996 -1.021 1.00 0.00 O ATOM 790 CB CYS A 59 -8.444 7.964 -1.690 1.00 0.00 C ATOM 791 SG CYS A 59 -7.019 9.082 -1.528 1.00 0.00 S ATOM 0 H CYS A 59 -10.156 8.834 0.324 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.812 9.380 -2.557 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.438 7.266 -0.853 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.324 7.374 -2.598 1.00 0.00 H new ATOM 795 N VAL A 60 -11.251 7.434 -3.223 1.00 0.00 N ATOM 796 CA VAL A 60 -12.273 6.469 -3.605 1.00 0.00 C ATOM 797 C VAL A 60 -11.819 5.664 -4.817 1.00 0.00 C ATOM 798 O VAL A 60 -10.779 5.967 -5.405 1.00 0.00 O ATOM 799 CB VAL A 60 -13.613 7.156 -3.940 1.00 0.00 C ATOM 800 CG1 VAL A 60 -14.220 7.800 -2.705 1.00 0.00 C ATOM 801 CG2 VAL A 60 -13.421 8.189 -5.040 1.00 0.00 C ATOM 0 H VAL A 60 -10.847 7.944 -4.008 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.422 5.809 -2.751 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.304 6.392 -4.296 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.164 8.277 -2.970 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.399 7.037 -1.948 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.533 8.549 -2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.376 8.664 -5.264 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.709 8.945 -4.709 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.040 7.699 -5.936 1.00 0.00 H new ATOM 811 N LYS A 61 -12.602 4.643 -5.178 1.00 0.00 N ATOM 812 CA LYS A 61 -12.304 3.787 -6.333 1.00 0.00 C ATOM 813 C LYS A 61 -10.978 3.050 -6.152 1.00 0.00 C ATOM 814 O LYS A 61 -10.227 2.856 -7.109 1.00 0.00 O ATOM 815 CB LYS A 61 -12.279 4.609 -7.631 1.00 0.00 C ATOM 816 CG LYS A 61 -13.646 4.806 -8.287 1.00 0.00 C ATOM 817 CD LYS A 61 -14.649 5.501 -7.372 1.00 0.00 C ATOM 818 CE LYS A 61 -15.969 5.750 -8.087 1.00 0.00 C ATOM 819 NZ LYS A 61 -17.012 6.296 -7.174 1.00 0.00 N ATOM 0 H LYS A 61 -13.456 4.387 -4.682 1.00 0.00 H new ATOM 0 HA LYS A 61 -13.099 3.045 -6.404 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.849 5.588 -7.417 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.616 4.118 -8.344 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.525 5.393 -9.198 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.044 3.836 -8.584 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.822 4.889 -6.487 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.235 6.449 -7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -15.808 6.447 -8.910 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -16.324 4.817 -8.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -17.893 6.449 -7.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -17.186 5.621 -6.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -16.686 7.200 -6.776 1.00 0.00 H new ATOM 829 N THR A 62 -10.711 2.633 -4.922 1.00 0.00 N ATOM 830 CA THR A 62 -9.482 1.920 -4.592 1.00 0.00 C ATOM 831 C THR A 62 -9.393 0.571 -5.308 1.00 0.00 C ATOM 832 O THR A 62 -10.316 -0.242 -5.238 1.00 0.00 O ATOM 833 CB THR A 62 -9.393 1.687 -3.073 1.00 0.00 C ATOM 834 OG1 THR A 62 -10.643 1.172 -2.600 1.00 0.00 O ATOM 835 CG2 THR A 62 -9.049 2.974 -2.336 1.00 0.00 C ATOM 0 H THR A 62 -11.335 2.778 -4.128 1.00 0.00 H new ATOM 0 HA THR A 62 -8.652 2.542 -4.926 1.00 0.00 H new ATOM 0 HB THR A 62 -8.598 0.968 -2.878 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.065 0.639 -3.306 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.993 2.777 -1.265 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.087 3.348 -2.686 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.820 3.720 -2.528 1.00 0.00 H new ATOM 843 N ALA A 63 -8.279 0.352 -5.996 1.00 0.00 N ATOM 844 CA ALA A 63 -8.039 -0.890 -6.720 1.00 0.00 C ATOM 845 C ALA A 63 -6.542 -1.172 -6.802 1.00 0.00 C ATOM 846 O ALA A 63 -5.727 -0.267 -6.621 1.00 0.00 O ATOM 847 CB ALA A 63 -8.643 -0.819 -8.114 1.00 0.00 C ATOM 0 H ALA A 63 -7.519 1.028 -6.068 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.518 -1.706 -6.179 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.454 -1.755 -8.640 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.718 -0.656 -8.037 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.190 0.005 -8.665 1.00 0.00 H new ATOM 853 N LEU A 64 -6.184 -2.423 -7.059 1.00 0.00 N ATOM 854 CA LEU A 64 -4.783 -2.816 -7.155 1.00 0.00 C ATOM 855 C LEU A 64 -4.461 -3.358 -8.548 1.00 0.00 C ATOM 856 O LEU A 64 -4.946 -4.420 -8.939 1.00 0.00 O ATOM 857 CB LEU A 64 -4.464 -3.875 -6.088 1.00 0.00 C ATOM 858 CG LEU A 64 -3.529 -3.424 -4.955 1.00 0.00 C ATOM 859 CD1 LEU A 64 -2.097 -3.329 -5.442 1.00 0.00 C ATOM 860 CD2 LEU A 64 -3.970 -2.085 -4.395 1.00 0.00 C ATOM 0 H LEU A 64 -6.846 -3.185 -7.205 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.165 -1.935 -6.983 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.402 -4.212 -5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.016 -4.737 -6.582 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.581 -4.172 -4.164 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.454 -3.008 -4.622 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.769 -4.305 -5.800 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.036 -2.606 -6.255 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.294 -1.785 -3.594 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.950 -1.335 -5.186 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.983 -2.171 -4.002 1.00 0.00 H new ATOM 871 N ASN A 65 -3.634 -2.624 -9.291 1.00 0.00 N ATOM 872 CA ASN A 65 -3.233 -3.024 -10.634 1.00 0.00 C ATOM 873 C ASN A 65 -2.311 -4.227 -10.572 1.00 0.00 C ATOM 874 O ASN A 65 -1.201 -4.134 -10.039 1.00 0.00 O ATOM 875 CB ASN A 65 -2.501 -1.874 -11.325 1.00 0.00 C ATOM 876 CG ASN A 65 -3.377 -0.658 -11.530 1.00 0.00 C ATOM 877 OD1 ASN A 65 -3.488 0.190 -10.647 1.00 0.00 O ATOM 878 ND2 ASN A 65 -3.996 -0.556 -12.696 1.00 0.00 N ATOM 0 H ASN A 65 -3.227 -1.742 -8.980 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.130 -3.282 -11.198 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.632 -1.593 -10.730 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.129 -2.215 -12.291 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.592 0.249 -12.888 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.877 -1.283 -13.402 1.00 0.00 H new ATOM 884 N ASP A 66 -2.793 -5.351 -11.109 1.00 0.00 N ATOM 885 CA ASP A 66 -2.049 -6.622 -11.162 1.00 0.00 C ATOM 886 C ASP A 66 -1.565 -7.088 -9.775 1.00 0.00 C ATOM 887 O ASP A 66 -0.901 -8.116 -9.647 1.00 0.00 O ATOM 888 CB ASP A 66 -0.873 -6.497 -12.137 1.00 0.00 C ATOM 889 CG ASP A 66 -0.206 -7.825 -12.442 1.00 0.00 C ATOM 890 OD1 ASP A 66 -0.838 -8.673 -13.109 1.00 0.00 O ATOM 891 OD2 ASP A 66 0.950 -8.027 -12.019 1.00 0.00 O ATOM 0 H ASP A 66 -3.722 -5.409 -11.526 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.737 -7.388 -11.520 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.227 -6.053 -13.068 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.134 -5.814 -11.719 1.00 0.00 H new ATOM 895 N GLY A 67 -1.928 -6.347 -8.738 1.00 0.00 N ATOM 896 CA GLY A 67 -1.525 -6.699 -7.396 1.00 0.00 C ATOM 897 C GLY A 67 -0.167 -6.141 -7.006 1.00 0.00 C ATOM 898 O GLY A 67 0.674 -6.865 -6.484 1.00 0.00 O ATOM 0 H GLY A 67 -2.498 -5.504 -8.805 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.274 -6.335 -6.693 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.503 -7.785 -7.305 1.00 0.00 H new ATOM 902 N HIS A 68 0.050 -4.853 -7.264 1.00 0.00 N ATOM 903 CA HIS A 68 1.315 -4.202 -6.907 1.00 0.00 C ATOM 904 C HIS A 68 1.181 -2.683 -6.887 1.00 0.00 C ATOM 905 O HIS A 68 1.857 -2.001 -6.120 1.00 0.00 O ATOM 906 CB HIS A 68 2.470 -4.635 -7.834 1.00 0.00 C ATOM 907 CG HIS A 68 2.208 -4.522 -9.312 1.00 0.00 C ATOM 908 ND1 HIS A 68 1.887 -3.460 -10.094 1.00 0.00 N flip ATOM 909 CD2 HIS A 68 2.329 -5.592 -10.168 1.00 0.00 C flip ATOM 910 CE1 HIS A 68 1.829 -3.909 -11.388 1.00 0.00 C flip ATOM 911 NE2 HIS A 68 2.101 -5.197 -11.404 1.00 0.00 N flip ATOM 0 H HIS A 68 -0.628 -4.240 -7.716 1.00 0.00 H new ATOM 0 HA HIS A 68 1.560 -4.532 -5.897 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.347 -4.034 -7.594 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.722 -5.671 -7.608 1.00 0.00 H new ATOM 0 HD1 HIS A 68 1.720 -2.505 -9.778 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.574 -6.601 -9.872 1.00 0.00 H new ATOM 0 HE1 HIS A 68 1.598 -3.305 -12.253 1.00 0.00 H new ATOM 919 N THR A 69 0.297 -2.161 -7.712 1.00 0.00 N ATOM 920 CA THR A 69 0.079 -0.732 -7.789 1.00 0.00 C ATOM 921 C THR A 69 -1.338 -0.378 -7.346 1.00 0.00 C ATOM 922 O THR A 69 -2.291 -1.030 -7.738 1.00 0.00 O ATOM 923 CB THR A 69 0.307 -0.250 -9.229 1.00 0.00 C ATOM 924 OG1 THR A 69 1.696 -0.350 -9.582 1.00 0.00 O ATOM 925 CG2 THR A 69 -0.190 1.169 -9.433 1.00 0.00 C ATOM 0 H THR A 69 -0.286 -2.710 -8.343 1.00 0.00 H new ATOM 0 HA THR A 69 0.785 -0.237 -7.122 1.00 0.00 H new ATOM 0 HB THR A 69 -0.271 -0.900 -9.886 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.216 -0.608 -8.793 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.010 1.473 -10.464 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.258 1.214 -9.222 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.341 1.841 -8.759 1.00 0.00 H new ATOM 933 N LEU A 70 -1.463 0.634 -6.517 1.00 0.00 N ATOM 934 CA LEU A 70 -2.758 1.083 -6.036 1.00 0.00 C ATOM 935 C LEU A 70 -3.278 2.224 -6.895 1.00 0.00 C ATOM 936 O LEU A 70 -2.552 3.168 -7.182 1.00 0.00 O ATOM 937 CB LEU A 70 -2.644 1.539 -4.577 1.00 0.00 C ATOM 938 CG LEU A 70 -3.747 2.482 -4.069 1.00 0.00 C ATOM 939 CD1 LEU A 70 -5.108 1.807 -4.089 1.00 0.00 C ATOM 940 CD2 LEU A 70 -3.421 2.966 -2.666 1.00 0.00 C ATOM 0 H LEU A 70 -0.674 1.170 -6.156 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.460 0.251 -6.098 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.632 0.653 -3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.683 2.036 -4.448 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.789 3.339 -4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.864 2.502 -3.724 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.351 1.509 -5.109 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.086 0.925 -3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.210 3.633 -2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.347 2.111 -1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.472 3.502 -2.677 1.00 0.00 H new ATOM 951 N THR A 71 -4.519 2.121 -7.322 1.00 0.00 N ATOM 952 CA THR A 71 -5.140 3.166 -8.109 1.00 0.00 C ATOM 953 C THR A 71 -6.366 3.690 -7.389 1.00 0.00 C ATOM 954 O THR A 71 -7.213 2.912 -6.945 1.00 0.00 O ATOM 955 CB THR A 71 -5.549 2.678 -9.510 1.00 0.00 C ATOM 956 OG1 THR A 71 -5.693 1.250 -9.517 1.00 0.00 O ATOM 957 CG2 THR A 71 -4.528 3.112 -10.546 1.00 0.00 C ATOM 0 H THR A 71 -5.121 1.319 -7.136 1.00 0.00 H new ATOM 0 HA THR A 71 -4.402 3.958 -8.233 1.00 0.00 H new ATOM 0 HB THR A 71 -6.509 3.127 -9.765 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.843 0.837 -9.776 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.835 2.757 -11.530 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.461 4.200 -10.557 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.554 2.691 -10.296 1.00 0.00 H new ATOM 965 N ALA A 72 -6.444 4.999 -7.242 1.00 0.00 N ATOM 966 CA ALA A 72 -7.582 5.607 -6.582 1.00 0.00 C ATOM 967 C ALA A 72 -7.725 7.066 -6.971 1.00 0.00 C ATOM 968 O ALA A 72 -6.791 7.683 -7.489 1.00 0.00 O ATOM 969 CB ALA A 72 -7.464 5.470 -5.071 1.00 0.00 C ATOM 0 H ALA A 72 -5.737 5.658 -7.569 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.478 5.080 -6.910 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.328 5.933 -4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.425 4.414 -4.803 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.554 5.965 -4.731 1.00 0.00 H new ATOM 975 N SER A 73 -8.900 7.605 -6.723 1.00 0.00 N ATOM 976 CA SER A 73 -9.189 8.987 -7.027 1.00 0.00 C ATOM 977 C SER A 73 -9.332 9.730 -5.714 1.00 0.00 C ATOM 978 O SER A 73 -10.172 9.377 -4.883 1.00 0.00 O ATOM 979 CB SER A 73 -10.467 9.088 -7.861 1.00 0.00 C ATOM 980 OG SER A 73 -10.647 10.395 -8.373 1.00 0.00 O ATOM 0 H SER A 73 -9.680 7.097 -6.306 1.00 0.00 H new ATOM 0 HA SER A 73 -8.384 9.429 -7.614 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.423 8.376 -8.685 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.326 8.814 -7.248 1.00 0.00 H new ATOM 0 HG SER A 73 -11.491 10.764 -8.038 1.00 0.00 H new ATOM 985 N CYS A 74 -8.508 10.739 -5.511 1.00 0.00 N ATOM 986 CA CYS A 74 -8.539 11.477 -4.264 1.00 0.00 C ATOM 987 C CYS A 74 -8.819 12.951 -4.475 1.00 0.00 C ATOM 988 O CYS A 74 -8.457 13.530 -5.499 1.00 0.00 O ATOM 989 CB CYS A 74 -7.205 11.318 -3.548 1.00 0.00 C ATOM 990 SG CYS A 74 -6.621 9.602 -3.443 1.00 0.00 S ATOM 0 H CYS A 74 -7.816 11.064 -6.186 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.350 11.068 -3.662 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.454 11.915 -4.065 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.295 11.722 -2.540 1.00 0.00 H new ATOM 994 N LYS A 75 -9.487 13.545 -3.503 1.00 0.00 N ATOM 995 CA LYS A 75 -9.799 14.960 -3.531 1.00 0.00 C ATOM 996 C LYS A 75 -8.794 15.713 -2.666 1.00 0.00 C ATOM 997 O LYS A 75 -8.300 15.175 -1.674 1.00 0.00 O ATOM 998 CB LYS A 75 -11.247 15.192 -3.056 1.00 0.00 C ATOM 999 CG LYS A 75 -11.578 16.635 -2.703 1.00 0.00 C ATOM 1000 CD LYS A 75 -11.324 16.914 -1.229 1.00 0.00 C ATOM 1001 CE LYS A 75 -11.396 18.397 -0.916 1.00 0.00 C ATOM 1002 NZ LYS A 75 -11.505 18.647 0.546 1.00 0.00 N ATOM 0 H LYS A 75 -9.828 13.060 -2.673 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.725 15.338 -4.551 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.929 14.858 -3.838 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.433 14.567 -2.183 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.975 17.308 -3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.622 16.840 -2.940 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.058 16.379 -0.626 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.342 16.531 -0.950 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.507 18.894 -1.305 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.255 18.835 -1.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.552 19.671 0.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.366 18.194 0.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.673 18.251 1.029 1.00 0.00 H new ATOM 1012 N GLY A 76 -8.477 16.941 -3.049 1.00 0.00 N ATOM 1013 CA GLY A 76 -7.540 17.729 -2.273 1.00 0.00 C ATOM 1014 C GLY A 76 -6.781 18.736 -3.108 1.00 0.00 C ATOM 1015 O GLY A 76 -6.206 19.677 -2.571 1.00 0.00 O ATOM 0 H GLY A 76 -8.849 17.404 -3.878 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.080 18.253 -1.484 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.830 17.062 -1.784 1.00 0.00 H new ATOM 1019 N ALA A 77 -6.761 18.533 -4.419 1.00 0.00 N ATOM 1020 CA ALA A 77 -6.075 19.454 -5.318 1.00 0.00 C ATOM 1021 C ALA A 77 -6.696 20.847 -5.245 1.00 0.00 C ATOM 1022 O ALA A 77 -5.993 21.853 -5.322 1.00 0.00 O ATOM 1023 CB ALA A 77 -6.107 18.929 -6.742 1.00 0.00 C ATOM 0 H ALA A 77 -7.209 17.743 -4.883 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.035 19.529 -5.001 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.591 19.629 -7.399 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.612 17.959 -6.783 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.142 18.822 -7.067 1.00 0.00 H new ATOM 1029 N ASP A 78 -8.020 20.883 -5.092 1.00 0.00 N ATOM 1030 CA ASP A 78 -8.776 22.135 -4.990 1.00 0.00 C ATOM 1031 C ASP A 78 -10.258 21.815 -4.845 1.00 0.00 C ATOM 1032 O ASP A 78 -11.076 22.186 -5.684 1.00 0.00 O ATOM 1033 CB ASP A 78 -8.556 23.024 -6.221 1.00 0.00 C ATOM 1034 CG ASP A 78 -9.099 24.429 -6.034 1.00 0.00 C ATOM 1035 OD1 ASP A 78 -8.476 25.218 -5.294 1.00 0.00 O ATOM 1036 OD2 ASP A 78 -10.139 24.763 -6.637 1.00 0.00 O ATOM 0 H ASP A 78 -8.600 20.046 -5.035 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.422 22.681 -4.115 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.489 23.077 -6.440 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.036 22.566 -7.086 1.00 0.00 H new ATOM 1040 N GLY A 79 -10.591 21.076 -3.795 1.00 0.00 N ATOM 1041 CA GLY A 79 -11.974 20.690 -3.554 1.00 0.00 C ATOM 1042 C GLY A 79 -12.472 19.648 -4.544 1.00 0.00 C ATOM 1043 O GLY A 79 -13.590 19.149 -4.432 1.00 0.00 O ATOM 0 H GLY A 79 -9.927 20.734 -3.101 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -12.066 20.297 -2.542 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.609 21.574 -3.612 1.00 0.00 H new ATOM 1047 N GLN A 80 -11.625 19.310 -5.504 1.00 0.00 N ATOM 1048 CA GLN A 80 -11.962 18.336 -6.529 1.00 0.00 C ATOM 1049 C GLN A 80 -11.052 17.120 -6.422 1.00 0.00 C ATOM 1050 O GLN A 80 -9.986 17.187 -5.799 1.00 0.00 O ATOM 1051 CB GLN A 80 -11.838 18.975 -7.912 1.00 0.00 C ATOM 1052 CG GLN A 80 -10.429 19.448 -8.246 1.00 0.00 C ATOM 1053 CD GLN A 80 -10.376 20.280 -9.510 1.00 0.00 C ATOM 1054 OE1 GLN A 80 -11.325 20.993 -9.839 1.00 0.00 O ATOM 1055 NE2 GLN A 80 -9.268 20.193 -10.227 1.00 0.00 N ATOM 0 H GLN A 80 -10.688 19.702 -5.594 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.991 18.009 -6.383 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -12.157 18.255 -8.665 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.520 19.823 -7.973 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.040 20.034 -7.413 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.777 18.582 -8.358 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.506 19.590 -9.917 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.175 20.729 -11.090 1.00 0.00 H new ATOM 1062 N TYR A 81 -11.477 16.018 -7.023 1.00 0.00 N ATOM 1063 CA TYR A 81 -10.709 14.783 -6.988 1.00 0.00 C ATOM 1064 C TYR A 81 -10.044 14.506 -8.332 1.00 0.00 C ATOM 1065 O TYR A 81 -10.380 15.123 -9.344 1.00 0.00 O ATOM 1066 CB TYR A 81 -11.608 13.611 -6.580 1.00 0.00 C ATOM 1067 CG TYR A 81 -12.778 13.373 -7.507 1.00 0.00 C ATOM 1068 CD1 TYR A 81 -12.620 12.621 -8.659 1.00 0.00 C ATOM 1069 CD2 TYR A 81 -14.038 13.888 -7.228 1.00 0.00 C ATOM 1070 CE1 TYR A 81 -13.674 12.385 -9.509 1.00 0.00 C ATOM 1071 CE2 TYR A 81 -15.105 13.658 -8.076 1.00 0.00 C ATOM 1072 CZ TYR A 81 -14.918 12.904 -9.216 1.00 0.00 C ATOM 1073 OH TYR A 81 -15.975 12.664 -10.063 1.00 0.00 O ATOM 0 H TYR A 81 -12.353 15.955 -7.542 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.920 14.896 -6.245 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.005 12.704 -6.535 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -11.987 13.792 -5.574 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.649 12.212 -8.894 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -14.186 14.477 -6.335 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.529 11.796 -10.402 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -16.079 14.066 -7.848 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.780 13.099 -9.712 1.00 0.00 H new ATOM 1082 N HIS A 82 -9.108 13.568 -8.334 1.00 0.00 N ATOM 1083 CA HIS A 82 -8.381 13.198 -9.537 1.00 0.00 C ATOM 1084 C HIS A 82 -7.876 11.768 -9.395 1.00 0.00 C ATOM 1085 O HIS A 82 -7.486 11.347 -8.307 1.00 0.00 O ATOM 1086 CB HIS A 82 -7.206 14.157 -9.757 1.00 0.00 C ATOM 1087 CG HIS A 82 -6.595 14.099 -11.125 1.00 0.00 C ATOM 1088 ND1 HIS A 82 -5.727 13.215 -11.669 1.00 0.00 N flip ATOM 1089 CD2 HIS A 82 -6.831 15.044 -12.101 1.00 0.00 C flip ATOM 1090 CE1 HIS A 82 -5.459 13.639 -12.944 1.00 0.00 C flip ATOM 1091 NE2 HIS A 82 -6.135 14.744 -13.181 1.00 0.00 N flip ATOM 0 H HIS A 82 -8.833 13.044 -7.503 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.044 13.263 -10.399 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.546 15.175 -9.569 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.434 13.938 -9.020 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -5.343 12.387 -11.214 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -7.484 15.898 -11.997 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -4.799 13.146 -13.643 1.00 0.00 H new ATOM 1099 N ASP A 83 -7.891 11.030 -10.492 1.00 0.00 N ATOM 1100 CA ASP A 83 -7.440 9.642 -10.494 1.00 0.00 C ATOM 1101 C ASP A 83 -5.920 9.568 -10.541 1.00 0.00 C ATOM 1102 O ASP A 83 -5.289 10.182 -11.403 1.00 0.00 O ATOM 1103 CB ASP A 83 -8.040 8.887 -11.683 1.00 0.00 C ATOM 1104 CG ASP A 83 -7.539 7.460 -11.783 1.00 0.00 C ATOM 1105 OD1 ASP A 83 -8.124 6.571 -11.129 1.00 0.00 O ATOM 1106 OD2 ASP A 83 -6.575 7.215 -12.539 1.00 0.00 O ATOM 0 H ASP A 83 -8.212 11.368 -11.399 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.781 9.173 -9.571 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.126 8.881 -11.593 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.799 9.418 -12.604 1.00 0.00 H new ATOM 1110 N SER A 84 -5.339 8.825 -9.611 1.00 0.00 N ATOM 1111 CA SER A 84 -3.895 8.673 -9.541 1.00 0.00 C ATOM 1112 C SER A 84 -3.531 7.241 -9.162 1.00 0.00 C ATOM 1113 O SER A 84 -4.411 6.426 -8.877 1.00 0.00 O ATOM 1114 CB SER A 84 -3.319 9.655 -8.522 1.00 0.00 C ATOM 1115 OG SER A 84 -3.973 9.544 -7.267 1.00 0.00 O ATOM 0 H SER A 84 -5.850 8.315 -8.890 1.00 0.00 H new ATOM 0 HA SER A 84 -3.468 8.889 -10.520 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.253 9.467 -8.396 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.421 10.673 -8.898 1.00 0.00 H new ATOM 0 HG SER A 84 -4.739 10.155 -7.242 1.00 0.00 H new ATOM 1120 N SER A 85 -2.243 6.928 -9.166 1.00 0.00 N ATOM 1121 CA SER A 85 -1.800 5.591 -8.816 1.00 0.00 C ATOM 1122 C SER A 85 -0.565 5.646 -7.933 1.00 0.00 C ATOM 1123 O SER A 85 0.124 6.665 -7.864 1.00 0.00 O ATOM 1124 CB SER A 85 -1.492 4.773 -10.064 1.00 0.00 C ATOM 1125 OG SER A 85 -2.125 5.322 -11.208 1.00 0.00 O ATOM 0 H SER A 85 -1.494 7.577 -9.406 1.00 0.00 H new ATOM 0 HA SER A 85 -2.611 5.111 -8.269 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.414 4.740 -10.223 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.825 3.745 -9.919 1.00 0.00 H new ATOM 0 HG SER A 85 -1.909 4.778 -11.994 1.00 0.00 H new ATOM 1130 N MET A 86 -0.291 4.539 -7.269 1.00 0.00 N ATOM 1131 CA MET A 86 0.846 4.436 -6.383 1.00 0.00 C ATOM 1132 C MET A 86 1.382 3.014 -6.365 1.00 0.00 C ATOM 1133 O MET A 86 0.680 2.098 -5.961 1.00 0.00 O ATOM 1134 CB MET A 86 0.433 4.827 -4.969 1.00 0.00 C ATOM 1135 CG MET A 86 1.568 4.788 -3.959 1.00 0.00 C ATOM 1136 SD MET A 86 2.725 6.160 -4.162 1.00 0.00 S ATOM 1137 CE MET A 86 3.526 5.789 -5.720 1.00 0.00 C ATOM 0 H MET A 86 -0.851 3.689 -7.330 1.00 0.00 H new ATOM 0 HA MET A 86 1.625 5.108 -6.744 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.013 5.833 -4.989 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.360 4.157 -4.635 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.154 4.813 -2.951 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.106 3.846 -4.059 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.415 6.410 -5.829 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.813 4.738 -5.740 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.838 5.993 -6.540 1.00 0.00 H new ATOM 1145 N ASP A 87 2.614 2.818 -6.801 1.00 0.00 N ATOM 1146 CA ASP A 87 3.186 1.484 -6.786 1.00 0.00 C ATOM 1147 C ASP A 87 3.592 1.138 -5.359 1.00 0.00 C ATOM 1148 O ASP A 87 4.571 1.659 -4.827 1.00 0.00 O ATOM 1149 CB ASP A 87 4.376 1.376 -7.732 1.00 0.00 C ATOM 1150 CG ASP A 87 4.805 -0.062 -7.928 1.00 0.00 C ATOM 1151 OD1 ASP A 87 3.923 -0.921 -8.141 1.00 0.00 O ATOM 1152 OD2 ASP A 87 6.018 -0.342 -7.870 1.00 0.00 O ATOM 0 H ASP A 87 3.227 3.549 -7.163 1.00 0.00 H new ATOM 0 HA ASP A 87 2.438 0.773 -7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.116 1.813 -8.696 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.210 1.954 -7.335 1.00 0.00 H new ATOM 1156 N LEU A 88 2.818 0.260 -4.748 1.00 0.00 N ATOM 1157 CA LEU A 88 3.030 -0.150 -3.367 1.00 0.00 C ATOM 1158 C LEU A 88 4.146 -1.162 -3.258 1.00 0.00 C ATOM 1159 O LEU A 88 4.590 -1.485 -2.158 1.00 0.00 O ATOM 1160 CB LEU A 88 1.752 -0.767 -2.808 1.00 0.00 C ATOM 1161 CG LEU A 88 0.459 -0.052 -3.192 1.00 0.00 C ATOM 1162 CD1 LEU A 88 -0.738 -0.755 -2.573 1.00 0.00 C ATOM 1163 CD2 LEU A 88 0.511 1.404 -2.749 1.00 0.00 C ATOM 0 H LEU A 88 2.021 -0.192 -5.195 1.00 0.00 H new ATOM 0 HA LEU A 88 3.304 0.737 -2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.690 -1.801 -3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.825 -0.791 -1.721 1.00 0.00 H new ATOM 0 HG LEU A 88 0.352 -0.081 -4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.652 -0.234 -2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.781 -1.784 -2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.640 -0.753 -1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.417 1.903 -3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.636 1.451 -1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.351 1.902 -3.234 1.00 0.00 H new ATOM 1174 N ASN A 89 4.602 -1.665 -4.391 1.00 0.00 N ATOM 1175 CA ASN A 89 5.659 -2.657 -4.400 1.00 0.00 C ATOM 1176 C ASN A 89 6.921 -2.123 -3.715 1.00 0.00 C ATOM 1177 O ASN A 89 7.803 -2.893 -3.343 1.00 0.00 O ATOM 1178 CB ASN A 89 5.944 -3.105 -5.826 1.00 0.00 C ATOM 1179 CG ASN A 89 6.399 -4.548 -5.892 1.00 0.00 C ATOM 1180 OD1 ASN A 89 6.068 -5.359 -5.024 1.00 0.00 O ATOM 1181 ND2 ASN A 89 7.126 -4.884 -6.939 1.00 0.00 N ATOM 0 H ASN A 89 4.257 -1.403 -5.314 1.00 0.00 H new ATOM 0 HA ASN A 89 5.327 -3.526 -3.831 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.045 -2.981 -6.430 1.00 0.00 H new ATOM 0 HB3 ASN A 89 6.711 -2.464 -6.260 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.438 -5.848 -7.055 1.00 0.00 H new ATOM 0 HD22 ASN A 89 7.377 -4.180 -7.633 1.00 0.00 H new ATOM 1187 N TYR A 90 7.010 -0.805 -3.537 1.00 0.00 N ATOM 1188 CA TYR A 90 8.150 -0.231 -2.846 1.00 0.00 C ATOM 1189 C TYR A 90 7.705 0.518 -1.597 1.00 0.00 C ATOM 1190 O TYR A 90 8.429 1.362 -1.068 1.00 0.00 O ATOM 1191 CB TYR A 90 9.019 0.643 -3.765 1.00 0.00 C ATOM 1192 CG TYR A 90 8.324 1.792 -4.463 1.00 0.00 C ATOM 1193 CD1 TYR A 90 8.197 3.035 -3.853 1.00 0.00 C ATOM 1194 CD2 TYR A 90 7.839 1.645 -5.755 1.00 0.00 C ATOM 1195 CE1 TYR A 90 7.603 4.095 -4.512 1.00 0.00 C ATOM 1196 CE2 TYR A 90 7.239 2.698 -6.417 1.00 0.00 C ATOM 1197 CZ TYR A 90 7.126 3.921 -5.794 1.00 0.00 C ATOM 1198 OH TYR A 90 6.540 4.977 -6.459 1.00 0.00 O ATOM 0 H TYR A 90 6.316 -0.130 -3.858 1.00 0.00 H new ATOM 0 HA TYR A 90 8.787 -1.057 -2.531 1.00 0.00 H new ATOM 0 HB2 TYR A 90 9.839 1.050 -3.173 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.463 0.001 -4.526 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.568 3.174 -2.848 1.00 0.00 H new ATOM 0 HD2 TYR A 90 7.932 0.690 -6.251 1.00 0.00 H new ATOM 0 HE1 TYR A 90 7.513 5.055 -4.025 1.00 0.00 H new ATOM 0 HE2 TYR A 90 6.860 2.563 -7.419 1.00 0.00 H new ATOM 0 HH TYR A 90 6.491 5.753 -5.862 1.00 0.00 H new ATOM 1207 N VAL A 91 6.498 0.203 -1.129 1.00 0.00 N ATOM 1208 CA VAL A 91 5.967 0.808 0.087 1.00 0.00 C ATOM 1209 C VAL A 91 5.548 -0.285 1.070 1.00 0.00 C ATOM 1210 O VAL A 91 5.196 -0.016 2.219 1.00 0.00 O ATOM 1211 CB VAL A 91 4.797 1.784 -0.188 1.00 0.00 C ATOM 1212 CG1 VAL A 91 5.097 2.654 -1.379 1.00 0.00 C ATOM 1213 CG2 VAL A 91 3.470 1.092 -0.372 1.00 0.00 C ATOM 0 H VAL A 91 5.871 -0.467 -1.575 1.00 0.00 H new ATOM 0 HA VAL A 91 6.764 1.406 0.528 1.00 0.00 H new ATOM 0 HB VAL A 91 4.706 2.404 0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.262 3.332 -1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.000 3.233 -1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.247 2.028 -2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.695 1.835 -0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.531 0.408 -1.218 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.223 0.532 0.530 1.00 0.00 H new ATOM 1223 N VAL A 92 5.609 -1.527 0.599 1.00 0.00 N ATOM 1224 CA VAL A 92 5.264 -2.686 1.411 1.00 0.00 C ATOM 1225 C VAL A 92 6.022 -3.919 0.910 1.00 0.00 C ATOM 1226 O VAL A 92 6.310 -4.036 -0.285 1.00 0.00 O ATOM 1227 CB VAL A 92 3.738 -2.949 1.404 1.00 0.00 C ATOM 1228 CG1 VAL A 92 3.227 -3.229 0.007 1.00 0.00 C ATOM 1229 CG2 VAL A 92 3.361 -4.078 2.354 1.00 0.00 C ATOM 0 H VAL A 92 5.898 -1.756 -0.352 1.00 0.00 H new ATOM 0 HA VAL A 92 5.558 -2.479 2.440 1.00 0.00 H new ATOM 0 HB VAL A 92 3.256 -2.038 1.759 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.152 -3.409 0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.431 -2.371 -0.634 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.729 -4.109 -0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.283 -4.235 2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.870 -4.993 2.051 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.660 -3.815 3.369 1.00 0.00 H new ATOM 1239 N GLY A 93 6.375 -4.815 1.825 1.00 0.00 N ATOM 1240 CA GLY A 93 7.099 -6.013 1.452 1.00 0.00 C ATOM 1241 C GLY A 93 6.544 -7.260 2.104 1.00 0.00 C ATOM 1242 O GLY A 93 5.544 -7.205 2.825 1.00 0.00 O ATOM 0 H GLY A 93 6.171 -4.731 2.821 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.066 -6.129 0.369 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.147 -5.900 1.729 1.00 0.00 H new ATOM 1246 N ASN A 94 7.200 -8.381 1.850 1.00 0.00 N ATOM 1247 CA ASN A 94 6.788 -9.664 2.398 1.00 0.00 C ATOM 1248 C ASN A 94 7.916 -10.291 3.201 1.00 0.00 C ATOM 1249 O ASN A 94 9.037 -10.430 2.709 1.00 0.00 O ATOM 1250 CB ASN A 94 6.379 -10.616 1.270 1.00 0.00 C ATOM 1251 CG ASN A 94 6.155 -12.042 1.754 1.00 0.00 C ATOM 1252 OD1 ASN A 94 5.689 -12.276 2.869 1.00 0.00 O ATOM 1253 ND2 ASN A 94 6.508 -13.006 0.919 1.00 0.00 N ATOM 0 H ASN A 94 8.031 -8.428 1.260 1.00 0.00 H new ATOM 0 HA ASN A 94 5.936 -9.493 3.055 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.465 -10.248 0.803 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.152 -10.615 0.502 1.00 0.00 H new ATOM 0 HD21 ASN A 94 6.397 -13.983 1.192 1.00 0.00 H new ATOM 0 HD22 ASN A 94 6.891 -12.772 0.003 1.00 0.00 H new ATOM 1259 N SER A 95 7.621 -10.660 4.436 1.00 0.00 N ATOM 1260 CA SER A 95 8.602 -11.290 5.293 1.00 0.00 C ATOM 1261 C SER A 95 8.060 -12.586 5.870 1.00 0.00 C ATOM 1262 O SER A 95 7.397 -12.582 6.908 1.00 0.00 O ATOM 1263 CB SER A 95 9.010 -10.353 6.420 1.00 0.00 C ATOM 1264 OG SER A 95 9.771 -9.259 5.928 1.00 0.00 O ATOM 0 H SER A 95 6.705 -10.532 4.866 1.00 0.00 H new ATOM 0 HA SER A 95 9.480 -11.517 4.688 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.120 -9.981 6.928 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.593 -10.902 7.160 1.00 0.00 H new ATOM 0 HG SER A 95 10.280 -8.858 6.663 1.00 0.00 H new ATOM 1269 N TYR A 96 8.342 -13.686 5.179 1.00 0.00 N ATOM 1270 CA TYR A 96 7.902 -15.010 5.603 1.00 0.00 C ATOM 1271 C TYR A 96 6.382 -15.087 5.662 1.00 0.00 C ATOM 1272 O TYR A 96 5.807 -15.463 6.684 1.00 0.00 O ATOM 1273 CB TYR A 96 8.513 -15.372 6.960 1.00 0.00 C ATOM 1274 CG TYR A 96 10.024 -15.299 6.979 1.00 0.00 C ATOM 1275 CD1 TYR A 96 10.789 -16.053 6.099 1.00 0.00 C ATOM 1276 CD2 TYR A 96 10.683 -14.459 7.868 1.00 0.00 C ATOM 1277 CE1 TYR A 96 12.167 -15.974 6.106 1.00 0.00 C ATOM 1278 CE2 TYR A 96 12.060 -14.371 7.878 1.00 0.00 C ATOM 1279 CZ TYR A 96 12.798 -15.132 6.996 1.00 0.00 C ATOM 1280 OH TYR A 96 14.169 -15.041 6.996 1.00 0.00 O ATOM 0 H TYR A 96 8.880 -13.685 4.312 1.00 0.00 H new ATOM 0 HA TYR A 96 8.248 -15.733 4.865 1.00 0.00 H new ATOM 0 HB2 TYR A 96 8.115 -14.700 7.720 1.00 0.00 H new ATOM 0 HB3 TYR A 96 8.202 -16.381 7.232 1.00 0.00 H new ATOM 0 HD1 TYR A 96 10.298 -16.712 5.398 1.00 0.00 H new ATOM 0 HD2 TYR A 96 10.108 -13.865 8.563 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.748 -16.569 5.417 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.557 -13.710 8.573 1.00 0.00 H new ATOM 0 HH TYR A 96 14.454 -14.403 7.683 1.00 0.00 H new ATOM 1289 N GLY A 97 5.743 -14.740 4.549 1.00 0.00 N ATOM 1290 CA GLY A 97 4.295 -14.771 4.465 1.00 0.00 C ATOM 1291 C GLY A 97 3.624 -13.875 5.487 1.00 0.00 C ATOM 1292 O GLY A 97 2.487 -14.128 5.891 1.00 0.00 O ATOM 0 H GLY A 97 6.209 -14.435 3.695 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.988 -14.466 3.465 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.950 -15.795 4.606 1.00 0.00 H new ATOM 1296 N TYR A 98 4.314 -12.825 5.899 1.00 0.00 N ATOM 1297 CA TYR A 98 3.775 -11.912 6.887 1.00 0.00 C ATOM 1298 C TYR A 98 3.854 -10.481 6.388 1.00 0.00 C ATOM 1299 O TYR A 98 4.814 -10.097 5.712 1.00 0.00 O ATOM 1300 CB TYR A 98 4.545 -12.061 8.196 1.00 0.00 C ATOM 1301 CG TYR A 98 3.655 -12.178 9.413 1.00 0.00 C ATOM 1302 CD1 TYR A 98 2.716 -13.196 9.506 1.00 0.00 C ATOM 1303 CD2 TYR A 98 3.757 -11.279 10.465 1.00 0.00 C ATOM 1304 CE1 TYR A 98 1.903 -13.316 10.616 1.00 0.00 C ATOM 1305 CE2 TYR A 98 2.950 -11.394 11.580 1.00 0.00 C ATOM 1306 CZ TYR A 98 2.026 -12.415 11.650 1.00 0.00 C ATOM 1307 OH TYR A 98 1.223 -12.540 12.761 1.00 0.00 O ATOM 0 H TYR A 98 5.247 -12.586 5.564 1.00 0.00 H new ATOM 0 HA TYR A 98 2.727 -12.155 7.059 1.00 0.00 H new ATOM 0 HB2 TYR A 98 5.181 -12.944 8.135 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.204 -11.202 8.320 1.00 0.00 H new ATOM 0 HD1 TYR A 98 2.620 -13.906 8.697 1.00 0.00 H new ATOM 0 HD2 TYR A 98 4.478 -10.477 10.411 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.175 -14.112 10.673 1.00 0.00 H new ATOM 0 HE2 TYR A 98 3.042 -10.688 12.392 1.00 0.00 H new ATOM 0 HH TYR A 98 1.435 -11.827 13.399 1.00 0.00 H new ATOM 1316 N MET A 99 2.827 -9.706 6.718 1.00 0.00 N ATOM 1317 CA MET A 99 2.748 -8.305 6.314 1.00 0.00 C ATOM 1318 C MET A 99 3.892 -7.487 6.903 1.00 0.00 C ATOM 1319 O MET A 99 4.064 -7.415 8.119 1.00 0.00 O ATOM 1320 CB MET A 99 1.407 -7.686 6.738 1.00 0.00 C ATOM 1321 CG MET A 99 1.153 -7.720 8.240 1.00 0.00 C ATOM 1322 SD MET A 99 -0.270 -6.728 8.728 1.00 0.00 S ATOM 1323 CE MET A 99 -0.267 -6.985 10.499 1.00 0.00 C ATOM 0 H MET A 99 2.031 -10.027 7.269 1.00 0.00 H new ATOM 0 HA MET A 99 2.827 -8.282 5.227 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.373 -6.651 6.398 1.00 0.00 H new ATOM 0 HB3 MET A 99 0.599 -8.214 6.232 1.00 0.00 H new ATOM 0 HG2 MET A 99 0.996 -8.752 8.554 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.039 -7.359 8.762 1.00 0.00 H new ATOM 0 HE1 MET A 99 -1.093 -6.433 10.948 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.382 -8.048 10.713 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.676 -6.631 10.916 1.00 0.00 H new ATOM 1331 N GLU A 100 4.673 -6.877 6.025 1.00 0.00 N ATOM 1332 CA GLU A 100 5.787 -6.041 6.437 1.00 0.00 C ATOM 1333 C GLU A 100 5.849 -4.790 5.579 1.00 0.00 C ATOM 1334 O GLU A 100 6.594 -4.720 4.602 1.00 0.00 O ATOM 1335 CB GLU A 100 7.103 -6.809 6.367 1.00 0.00 C ATOM 1336 CG GLU A 100 7.367 -7.653 7.598 1.00 0.00 C ATOM 1337 CD GLU A 100 7.660 -6.815 8.821 1.00 0.00 C ATOM 1338 OE1 GLU A 100 8.838 -6.461 9.030 1.00 0.00 O ATOM 1339 OE2 GLU A 100 6.721 -6.503 9.581 1.00 0.00 O ATOM 0 H GLU A 100 4.553 -6.947 5.015 1.00 0.00 H new ATOM 0 HA GLU A 100 5.629 -5.745 7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.094 -7.453 5.488 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.922 -6.102 6.236 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.501 -8.286 7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.210 -8.317 7.406 1.00 0.00 H new ATOM 1344 N PRO A 101 5.018 -3.800 5.914 1.00 0.00 N ATOM 1345 CA PRO A 101 4.965 -2.531 5.194 1.00 0.00 C ATOM 1346 C PRO A 101 6.229 -1.702 5.400 1.00 0.00 C ATOM 1347 O PRO A 101 6.429 -1.087 6.451 1.00 0.00 O ATOM 1348 CB PRO A 101 3.743 -1.831 5.790 1.00 0.00 C ATOM 1349 CG PRO A 101 3.573 -2.435 7.138 1.00 0.00 C ATOM 1350 CD PRO A 101 4.056 -3.852 7.027 1.00 0.00 C ATOM 0 HA PRO A 101 4.895 -2.671 4.115 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.898 -0.754 5.857 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.858 -1.988 5.173 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.146 -1.886 7.885 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.529 -2.403 7.450 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.528 -4.189 7.950 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.237 -4.540 6.818 1.00 0.00 H new ATOM 1355 N CYS A 102 7.094 -1.720 4.401 1.00 0.00 N ATOM 1356 CA CYS A 102 8.337 -0.977 4.445 1.00 0.00 C ATOM 1357 C CYS A 102 8.472 -0.110 3.198 1.00 0.00 C ATOM 1358 O CYS A 102 8.608 -0.612 2.082 1.00 0.00 O ATOM 1359 CB CYS A 102 9.524 -1.935 4.582 1.00 0.00 C ATOM 1360 SG CYS A 102 9.421 -3.418 3.521 1.00 0.00 S ATOM 0 H CYS A 102 6.953 -2.249 3.540 1.00 0.00 H new ATOM 0 HA CYS A 102 8.331 -0.322 5.317 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.441 -1.395 4.344 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.602 -2.252 5.622 1.00 0.00 H new ATOM 1364 N ARG A 103 8.397 1.195 3.394 1.00 0.00 N ATOM 1365 CA ARG A 103 8.509 2.138 2.291 1.00 0.00 C ATOM 1366 C ARG A 103 9.973 2.366 1.943 1.00 0.00 C ATOM 1367 O ARG A 103 10.849 2.285 2.807 1.00 0.00 O ATOM 1368 CB ARG A 103 7.839 3.477 2.639 1.00 0.00 C ATOM 1369 CG ARG A 103 8.672 4.386 3.540 1.00 0.00 C ATOM 1370 CD ARG A 103 8.911 3.766 4.907 1.00 0.00 C ATOM 1371 NE ARG A 103 9.640 4.655 5.806 1.00 0.00 N ATOM 1372 CZ ARG A 103 10.892 4.448 6.211 1.00 0.00 C ATOM 1373 NH1 ARG A 103 11.547 3.360 5.821 1.00 0.00 N ATOM 1374 NH2 ARG A 103 11.478 5.319 7.020 1.00 0.00 N ATOM 0 H ARG A 103 8.259 1.628 4.307 1.00 0.00 H new ATOM 0 HA ARG A 103 7.996 1.712 1.428 1.00 0.00 H new ATOM 0 HB2 ARG A 103 7.616 4.009 1.714 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.886 3.276 3.128 1.00 0.00 H new ATOM 0 HG2 ARG A 103 9.630 4.591 3.062 1.00 0.00 H new ATOM 0 HG3 ARG A 103 8.164 5.343 3.659 1.00 0.00 H new ATOM 0 HD2 ARG A 103 7.953 3.506 5.357 1.00 0.00 H new ATOM 0 HD3 ARG A 103 9.469 2.837 4.788 1.00 0.00 H new ATOM 0 HE ARG A 103 9.160 5.488 6.146 1.00 0.00 H new ATOM 0 HH11 ARG A 103 11.091 2.682 5.211 1.00 0.00 H new ATOM 0 HH12 ARG A 103 12.506 3.203 6.132 1.00 0.00 H new ATOM 0 HH21 ARG A 103 10.970 6.147 7.332 1.00 0.00 H new ATOM 0 HH22 ARG A 103 12.437 5.161 7.331 1.00 0.00 H new ATOM 1385 N ALA A 104 10.240 2.638 0.680 1.00 0.00 N ATOM 1386 CA ALA A 104 11.598 2.889 0.239 1.00 0.00 C ATOM 1387 C ALA A 104 11.817 4.372 -0.023 1.00 0.00 C ATOM 1388 O ALA A 104 12.246 4.770 -1.107 1.00 0.00 O ATOM 1389 CB ALA A 104 11.908 2.066 -0.996 1.00 0.00 C ATOM 0 H ALA A 104 9.537 2.691 -0.057 1.00 0.00 H new ATOM 0 HA ALA A 104 12.282 2.588 1.033 1.00 0.00 H new ATOM 0 HB1 ALA A 104 12.931 2.263 -1.317 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.799 1.007 -0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.218 2.336 -1.796 1.00 0.00 H new ATOM 1395 N SER A 105 11.511 5.175 0.992 1.00 0.00 N ATOM 1396 CA SER A 105 11.656 6.624 0.930 1.00 0.00 C ATOM 1397 C SER A 105 11.224 7.236 2.261 1.00 0.00 C ATOM 1398 O SER A 105 11.928 7.115 3.265 1.00 0.00 O ATOM 1399 CB SER A 105 10.843 7.210 -0.239 1.00 0.00 C ATOM 1400 OG SER A 105 11.010 8.616 -0.343 1.00 0.00 O ATOM 0 H SER A 105 11.154 4.836 1.885 1.00 0.00 H new ATOM 0 HA SER A 105 12.703 6.869 0.752 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.153 6.737 -1.171 1.00 0.00 H new ATOM 0 HB3 SER A 105 9.787 6.978 -0.100 1.00 0.00 H new ATOM 0 HG SER A 105 10.481 8.953 -1.096 1.00 0.00 H new ATOM 1405 N ASN A 106 10.052 7.857 2.250 1.00 0.00 N ATOM 1406 CA ASN A 106 9.455 8.497 3.424 1.00 0.00 C ATOM 1407 C ASN A 106 10.217 9.745 3.842 1.00 0.00 C ATOM 1408 O ASN A 106 11.343 9.679 4.336 1.00 0.00 O ATOM 1409 CB ASN A 106 9.360 7.535 4.603 1.00 0.00 C ATOM 1410 CG ASN A 106 8.680 8.151 5.813 1.00 0.00 C ATOM 1411 OD1 ASN A 106 9.029 7.847 6.949 1.00 0.00 O ATOM 1412 ND2 ASN A 106 7.682 8.995 5.581 1.00 0.00 N ATOM 0 H ASN A 106 9.476 7.934 1.412 1.00 0.00 H new ATOM 0 HA ASN A 106 8.447 8.792 3.131 1.00 0.00 H new ATOM 0 HB2 ASN A 106 8.810 6.645 4.297 1.00 0.00 H new ATOM 0 HB3 ASN A 106 10.362 7.209 4.882 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.177 9.415 6.362 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.420 9.224 4.622 1.00 0.00 H new ATOM 1418 N ALA A 107 9.579 10.880 3.636 1.00 0.00 N ATOM 1419 CA ALA A 107 10.151 12.162 4.000 1.00 0.00 C ATOM 1420 C ALA A 107 9.046 13.119 4.419 1.00 0.00 C ATOM 1421 O ALA A 107 7.919 13.017 3.931 1.00 0.00 O ATOM 1422 CB ALA A 107 10.949 12.738 2.843 1.00 0.00 C ATOM 0 H ALA A 107 8.653 10.940 3.213 1.00 0.00 H new ATOM 0 HA ALA A 107 10.830 12.020 4.841 1.00 0.00 H new ATOM 0 HB1 ALA A 107 11.370 13.700 3.135 1.00 0.00 H new ATOM 0 HB2 ALA A 107 11.755 12.053 2.581 1.00 0.00 H new ATOM 0 HB3 ALA A 107 10.295 12.875 1.982 1.00 0.00 H new ATOM 1428 N ASP A 108 9.372 14.014 5.350 1.00 0.00 N ATOM 1429 CA ASP A 108 8.435 15.016 5.857 1.00 0.00 C ATOM 1430 C ASP A 108 7.216 14.357 6.506 1.00 0.00 C ATOM 1431 O ASP A 108 6.119 14.914 6.532 1.00 0.00 O ATOM 1432 CB ASP A 108 8.018 15.958 4.723 1.00 0.00 C ATOM 1433 CG ASP A 108 7.321 17.213 5.216 1.00 0.00 C ATOM 1434 OD1 ASP A 108 8.000 18.087 5.797 1.00 0.00 O ATOM 1435 OD2 ASP A 108 6.098 17.347 4.997 1.00 0.00 O ATOM 0 H ASP A 108 10.297 14.065 5.776 1.00 0.00 H new ATOM 0 HA ASP A 108 8.934 15.600 6.630 1.00 0.00 H new ATOM 0 HB2 ASP A 108 8.902 16.241 4.151 1.00 0.00 H new ATOM 0 HB3 ASP A 108 7.355 15.425 4.042 1.00 0.00 H new ATOM 1439 N HIS A 109 7.417 13.162 7.042 1.00 0.00 N ATOM 1440 CA HIS A 109 6.343 12.435 7.696 1.00 0.00 C ATOM 1441 C HIS A 109 6.924 11.498 8.732 1.00 0.00 C ATOM 1442 O HIS A 109 8.060 11.041 8.607 1.00 0.00 O ATOM 1443 CB HIS A 109 5.526 11.639 6.678 1.00 0.00 C ATOM 1444 CG HIS A 109 4.141 11.277 7.127 1.00 0.00 C ATOM 1445 ND1 HIS A 109 3.038 12.040 6.826 1.00 0.00 N ATOM 1446 CD2 HIS A 109 3.679 10.223 7.841 1.00 0.00 C ATOM 1447 CE1 HIS A 109 1.960 11.476 7.336 1.00 0.00 C ATOM 1448 NE2 HIS A 109 2.320 10.370 7.959 1.00 0.00 N ATOM 0 H HIS A 109 8.314 12.677 7.036 1.00 0.00 H new ATOM 0 HA HIS A 109 5.681 13.153 8.180 1.00 0.00 H new ATOM 0 HB2 HIS A 109 5.454 12.219 5.758 1.00 0.00 H new ATOM 0 HB3 HIS A 109 6.065 10.723 6.437 1.00 0.00 H new ATOM 0 HD2 HIS A 109 4.272 9.415 8.244 1.00 0.00 H new ATOM 0 HE1 HIS A 109 0.952 11.856 7.257 1.00 0.00 H new ATOM 0 HE2 HIS A 109 1.693 9.731 8.447 1.00 0.00 H new ATOM 1456 N VAL A 110 6.126 11.188 9.724 1.00 0.00 N ATOM 1457 CA VAL A 110 6.557 10.314 10.804 1.00 0.00 C ATOM 1458 C VAL A 110 6.163 8.859 10.525 1.00 0.00 C ATOM 1459 O VAL A 110 5.146 8.354 10.996 1.00 0.00 O ATOM 1460 CB VAL A 110 6.020 10.795 12.176 1.00 0.00 C ATOM 1461 CG1 VAL A 110 4.503 10.884 12.179 1.00 0.00 C ATOM 1462 CG2 VAL A 110 6.514 9.898 13.304 1.00 0.00 C ATOM 0 H VAL A 110 5.168 11.527 9.812 1.00 0.00 H new ATOM 0 HA VAL A 110 7.645 10.360 10.851 1.00 0.00 H new ATOM 0 HB VAL A 110 6.411 11.798 12.346 1.00 0.00 H new ATOM 0 HG11 VAL A 110 4.160 11.224 13.156 1.00 0.00 H new ATOM 0 HG12 VAL A 110 4.178 11.590 11.415 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.080 9.902 11.968 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.122 10.259 14.255 1.00 0.00 H new ATOM 0 HG22 VAL A 110 6.171 8.877 13.134 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.604 9.915 13.331 1.00 0.00 H new ATOM 1472 N LEU A 111 6.974 8.196 9.716 1.00 0.00 N ATOM 1473 CA LEU A 111 6.735 6.804 9.366 1.00 0.00 C ATOM 1474 C LEU A 111 8.069 6.081 9.230 1.00 0.00 C ATOM 1475 O LEU A 111 8.270 5.259 8.335 1.00 0.00 O ATOM 1476 CB LEU A 111 5.925 6.714 8.065 1.00 0.00 C ATOM 1477 CG LEU A 111 5.385 5.321 7.720 1.00 0.00 C ATOM 1478 CD1 LEU A 111 4.415 4.836 8.789 1.00 0.00 C ATOM 1479 CD2 LEU A 111 4.713 5.333 6.357 1.00 0.00 C ATOM 0 H LEU A 111 7.807 8.601 9.288 1.00 0.00 H new ATOM 0 HA LEU A 111 6.155 6.324 10.154 1.00 0.00 H new ATOM 0 HB2 LEU A 111 5.084 7.404 8.132 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.553 7.056 7.242 1.00 0.00 H new ATOM 0 HG LEU A 111 6.226 4.629 7.685 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.045 3.846 8.522 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.928 4.785 9.750 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.577 5.529 8.861 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.336 4.336 6.129 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.885 6.041 6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 111 5.436 5.630 5.597 1.00 0.00 H new ATOM 1490 N LYS A 112 8.993 6.414 10.119 1.00 0.00 N ATOM 1491 CA LYS A 112 10.313 5.808 10.106 1.00 0.00 C ATOM 1492 C LYS A 112 10.268 4.420 10.729 1.00 0.00 C ATOM 1493 O LYS A 112 10.050 4.276 11.932 1.00 0.00 O ATOM 1494 CB LYS A 112 11.324 6.687 10.854 1.00 0.00 C ATOM 1495 CG LYS A 112 12.736 6.117 10.861 1.00 0.00 C ATOM 1496 CD LYS A 112 13.717 7.014 11.604 1.00 0.00 C ATOM 1497 CE LYS A 112 13.367 7.140 13.079 1.00 0.00 C ATOM 1498 NZ LYS A 112 14.387 7.921 13.826 1.00 0.00 N ATOM 0 H LYS A 112 8.851 7.102 10.859 1.00 0.00 H new ATOM 0 HA LYS A 112 10.633 5.718 9.068 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.342 7.676 10.396 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.988 6.818 11.883 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.725 5.131 11.325 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.076 5.982 9.834 1.00 0.00 H new ATOM 0 HD2 LYS A 112 14.725 6.611 11.503 1.00 0.00 H new ATOM 0 HD3 LYS A 112 13.722 8.003 11.147 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.394 7.621 13.181 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.278 6.146 13.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 13.928 8.439 14.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 15.102 7.274 14.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 14.847 8.597 13.183 1.00 0.00 H new ATOM 1508 N SER A 113 10.469 3.403 9.905 1.00 0.00 N ATOM 1509 CA SER A 113 10.464 2.026 10.372 1.00 0.00 C ATOM 1510 C SER A 113 11.838 1.658 10.930 1.00 0.00 C ATOM 1511 O SER A 113 12.468 0.688 10.508 1.00 0.00 O ATOM 1512 CB SER A 113 10.077 1.093 9.226 1.00 0.00 C ATOM 1513 OG SER A 113 8.865 1.518 8.628 1.00 0.00 O ATOM 0 H SER A 113 10.638 3.507 8.905 1.00 0.00 H new ATOM 0 HA SER A 113 9.730 1.918 11.170 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.871 1.075 8.480 1.00 0.00 H new ATOM 0 HB3 SER A 113 9.968 0.075 9.599 1.00 0.00 H new ATOM 0 HG SER A 113 8.632 0.911 7.895 1.00 0.00 H new ATOM 1518 N SER A 114 12.296 2.460 11.877 1.00 0.00 N ATOM 1519 CA SER A 114 13.588 2.269 12.508 1.00 0.00 C ATOM 1520 C SER A 114 13.553 2.859 13.909 1.00 0.00 C ATOM 1521 O SER A 114 13.071 3.977 14.105 1.00 0.00 O ATOM 1522 CB SER A 114 14.680 2.948 11.677 1.00 0.00 C ATOM 1523 OG SER A 114 14.685 2.456 10.346 1.00 0.00 O ATOM 0 H SER A 114 11.778 3.265 12.230 1.00 0.00 H new ATOM 0 HA SER A 114 13.810 1.204 12.570 1.00 0.00 H new ATOM 0 HB2 SER A 114 14.519 4.026 11.670 1.00 0.00 H new ATOM 0 HB3 SER A 114 15.653 2.774 12.137 1.00 0.00 H new ATOM 0 HG SER A 114 15.389 2.905 9.834 1.00 0.00 H new ATOM 1528 N SER A 115 14.046 2.090 14.874 1.00 0.00 N ATOM 1529 CA SER A 115 14.074 2.510 16.268 1.00 0.00 C ATOM 1530 C SER A 115 14.927 3.761 16.449 1.00 0.00 C ATOM 1531 O SER A 115 14.619 4.622 17.272 1.00 0.00 O ATOM 1532 CB SER A 115 14.630 1.380 17.131 1.00 0.00 C ATOM 1533 OG SER A 115 13.947 0.161 16.877 1.00 0.00 O ATOM 0 H SER A 115 14.436 1.162 14.712 1.00 0.00 H new ATOM 0 HA SER A 115 13.055 2.745 16.576 1.00 0.00 H new ATOM 0 HB2 SER A 115 15.694 1.254 16.929 1.00 0.00 H new ATOM 0 HB3 SER A 115 14.534 1.642 18.185 1.00 0.00 H new ATOM 0 HG SER A 115 14.322 -0.548 17.440 1.00 0.00 H new ATOM 1538 N GLU A 116 15.997 3.852 15.679 1.00 0.00 N ATOM 1539 CA GLU A 116 16.892 4.987 15.751 1.00 0.00 C ATOM 1540 C GLU A 116 17.111 5.566 14.359 1.00 0.00 C ATOM 1541 O GLU A 116 16.691 6.713 14.112 1.00 0.00 O ATOM 1542 CB GLU A 116 18.227 4.578 16.377 1.00 0.00 C ATOM 1543 CG GLU A 116 19.229 5.716 16.457 1.00 0.00 C ATOM 1544 CD GLU A 116 20.540 5.303 17.087 1.00 0.00 C ATOM 1545 OE1 GLU A 116 21.351 4.639 16.408 1.00 0.00 O ATOM 1546 OE2 GLU A 116 20.778 5.662 18.260 1.00 0.00 O ATOM 0 H GLU A 116 16.266 3.147 14.993 1.00 0.00 H new ATOM 0 HA GLU A 116 16.439 5.752 16.382 1.00 0.00 H new ATOM 0 HB2 GLU A 116 18.046 4.192 17.380 1.00 0.00 H new ATOM 0 HB3 GLU A 116 18.659 3.764 15.795 1.00 0.00 H new ATOM 0 HG2 GLU A 116 19.418 6.098 15.454 1.00 0.00 H new ATOM 0 HG3 GLU A 116 18.797 6.534 17.033 1.00 0.00 H new TER 1551 GLU A 116