USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 471 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 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 5 TYR OH : rot -113:sc= 0.0396 USER MOD Set 2.2: A 39 GLN : amide:sc= -4.01! C(o=-4!,f=-4.4!) USER MOD Single : A 1 ALA N :NH3+ -120:sc= 0.111 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.375 X(o=-0.38,f=-0.38) USER MOD Single : A 11 ASN : amide:sc= -2.36! C(o=-2.4!,f=-8.2!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -1.81 K(o=-1.8,f=-0.013) USER MOD Single : A 20 LYS NZ :NH3+ -121:sc= -0.924 (180deg=-1.16) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.47 K(o=-1.5,f=-3.2!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -2.37 K(o=-2.4,f=-1.2) USER MOD Single : A 35 SER OG : rot 1:sc= 1.08 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -5.34! K(o=-5.3!,f=-1.6) USER MOD Single : A 52 GLN : amide:sc= -0.0318 X(o=-0.032,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.179 K(o=-0.18,f=-2.3!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HE2:sc= -5.92! C(o=-5.9!,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.703 -0.230 0.375 1.00 0.00 N ATOM 2 CA ALA A 1 2.086 -0.117 -1.027 1.00 0.00 C ATOM 3 C ALA A 1 2.142 -1.488 -1.693 1.00 0.00 C ATOM 4 O ALA A 1 1.892 -2.510 -1.053 1.00 0.00 O ATOM 5 CB ALA A 1 3.428 0.588 -1.153 1.00 0.00 C ATOM 0 H1 ALA A 1 0.825 0.302 0.539 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.551 -1.231 0.614 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.460 0.158 0.974 1.00 0.00 H new ATOM 0 HA ALA A 1 1.328 0.476 -1.538 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.701 0.665 -2.205 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.356 1.587 -0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.190 0.018 -0.621 1.00 0.00 H new ATOM 11 N ARG A 2 2.471 -1.502 -2.980 1.00 0.00 N ATOM 12 CA ARG A 2 2.559 -2.748 -3.733 1.00 0.00 C ATOM 13 C ARG A 2 3.640 -2.660 -4.806 1.00 0.00 C ATOM 14 O ARG A 2 4.064 -1.569 -5.186 1.00 0.00 O ATOM 15 CB ARG A 2 1.211 -3.074 -4.378 1.00 0.00 C ATOM 16 CG ARG A 2 0.518 -1.865 -4.986 1.00 0.00 C ATOM 17 CD ARG A 2 -0.716 -2.270 -5.778 1.00 0.00 C ATOM 18 NE ARG A 2 -1.218 -1.176 -6.605 1.00 0.00 N ATOM 19 CZ ARG A 2 -2.373 -1.220 -7.260 1.00 0.00 C ATOM 20 NH1 ARG A 2 -3.141 -2.298 -7.184 1.00 0.00 N ATOM 21 NH2 ARG A 2 -2.762 -0.184 -7.992 1.00 0.00 N ATOM 0 H ARG A 2 2.681 -0.665 -3.524 1.00 0.00 H new ATOM 0 HA ARG A 2 2.825 -3.545 -3.039 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.361 -3.824 -5.154 1.00 0.00 H new ATOM 0 HB3 ARG A 2 0.557 -3.518 -3.628 1.00 0.00 H new ATOM 0 HG2 ARG A 2 0.233 -1.172 -4.195 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.213 -1.336 -5.638 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -0.476 -3.123 -6.412 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -1.498 -2.593 -5.091 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.651 -0.332 -6.684 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -2.846 -3.096 -6.622 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -4.027 -2.329 -7.688 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -2.174 0.647 -8.052 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -3.649 -0.219 -8.494 1.00 0.00 H new ATOM 35 N ASP A 3 4.082 -3.816 -5.288 1.00 0.00 N ATOM 36 CA ASP A 3 5.114 -3.870 -6.317 1.00 0.00 C ATOM 37 C ASP A 3 4.493 -4.020 -7.702 1.00 0.00 C ATOM 38 O ASP A 3 3.594 -4.836 -7.906 1.00 0.00 O ATOM 39 CB ASP A 3 6.074 -5.031 -6.047 1.00 0.00 C ATOM 40 CG ASP A 3 6.871 -4.838 -4.772 1.00 0.00 C ATOM 41 OD1 ASP A 3 6.346 -4.202 -3.834 1.00 0.00 O ATOM 42 OD2 ASP A 3 8.020 -5.323 -4.712 1.00 0.00 O ATOM 0 H ASP A 3 3.742 -4.728 -4.983 1.00 0.00 H new ATOM 0 HA ASP A 3 5.671 -2.933 -6.287 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.507 -5.960 -5.981 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.759 -5.135 -6.888 1.00 0.00 H new ATOM 47 N ALA A 4 4.978 -3.226 -8.652 1.00 0.00 N ATOM 48 CA ALA A 4 4.471 -3.271 -10.017 1.00 0.00 C ATOM 49 C ALA A 4 5.278 -2.356 -10.933 1.00 0.00 C ATOM 50 O ALA A 4 6.234 -1.713 -10.498 1.00 0.00 O ATOM 51 CB ALA A 4 3.000 -2.885 -10.047 1.00 0.00 C ATOM 0 H ALA A 4 5.721 -2.544 -8.500 1.00 0.00 H new ATOM 0 HA ALA A 4 4.575 -4.292 -10.383 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.635 -2.923 -11.073 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.429 -3.581 -9.432 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.881 -1.874 -9.657 1.00 0.00 H new ATOM 57 N TYR A 5 4.889 -2.305 -12.202 1.00 0.00 N ATOM 58 CA TYR A 5 5.579 -1.471 -13.179 1.00 0.00 C ATOM 59 C TYR A 5 5.052 -0.040 -13.144 1.00 0.00 C ATOM 60 O TYR A 5 3.843 0.187 -13.091 1.00 0.00 O ATOM 61 CB TYR A 5 5.413 -2.053 -14.584 1.00 0.00 C ATOM 62 CG TYR A 5 5.635 -3.547 -14.651 1.00 0.00 C ATOM 63 CD1 TYR A 5 4.578 -4.434 -14.483 1.00 0.00 C ATOM 64 CD2 TYR A 5 6.900 -4.072 -14.881 1.00 0.00 C ATOM 65 CE1 TYR A 5 4.776 -5.800 -14.543 1.00 0.00 C ATOM 66 CE2 TYR A 5 7.107 -5.437 -14.944 1.00 0.00 C ATOM 67 CZ TYR A 5 6.042 -6.296 -14.774 1.00 0.00 C ATOM 68 OH TYR A 5 6.244 -7.656 -14.834 1.00 0.00 O ATOM 0 H TYR A 5 4.100 -2.831 -12.578 1.00 0.00 H new ATOM 0 HA TYR A 5 6.638 -1.455 -12.922 1.00 0.00 H new ATOM 0 HB2 TYR A 5 4.410 -1.827 -14.946 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.114 -1.560 -15.258 1.00 0.00 H new ATOM 0 HD1 TYR A 5 3.585 -4.049 -14.303 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.737 -3.402 -15.013 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.944 -6.476 -14.410 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.097 -5.828 -15.125 1.00 0.00 H new ATOM 0 HH TYR A 5 6.787 -7.940 -14.069 1.00 0.00 H new ATOM 78 N ILE A 6 5.969 0.922 -13.173 1.00 0.00 N ATOM 79 CA ILE A 6 5.597 2.331 -13.146 1.00 0.00 C ATOM 80 C ILE A 6 5.055 2.783 -14.498 1.00 0.00 C ATOM 81 O ILE A 6 5.602 2.437 -15.545 1.00 0.00 O ATOM 82 CB ILE A 6 6.794 3.221 -12.762 1.00 0.00 C ATOM 83 CG1 ILE A 6 6.430 4.699 -12.921 1.00 0.00 C ATOM 84 CG2 ILE A 6 8.007 2.875 -13.613 1.00 0.00 C ATOM 85 CD1 ILE A 6 7.279 5.624 -12.078 1.00 0.00 C ATOM 0 H ILE A 6 6.974 0.751 -13.215 1.00 0.00 H new ATOM 0 HA ILE A 6 4.818 2.437 -12.391 1.00 0.00 H new ATOM 0 HB ILE A 6 7.043 3.037 -11.717 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.533 4.979 -13.969 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.382 4.837 -12.655 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.844 3.513 -13.329 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.276 1.831 -13.455 1.00 0.00 H new ATOM 0 HG23 ILE A 6 7.770 3.033 -14.665 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.966 6.655 -12.241 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.158 5.370 -11.025 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.326 5.514 -12.360 1.00 0.00 H new ATOM 97 N ALA A 7 3.977 3.559 -14.467 1.00 0.00 N ATOM 98 CA ALA A 7 3.363 4.062 -15.690 1.00 0.00 C ATOM 99 C ALA A 7 3.939 5.421 -16.075 1.00 0.00 C ATOM 100 O ALA A 7 4.490 6.134 -15.236 1.00 0.00 O ATOM 101 CB ALA A 7 1.853 4.155 -15.523 1.00 0.00 C ATOM 0 H ALA A 7 3.511 3.853 -13.609 1.00 0.00 H new ATOM 0 HA ALA A 7 3.586 3.361 -16.494 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.408 4.532 -16.444 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.450 3.167 -15.303 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.619 4.833 -14.702 1.00 0.00 H new ATOM 107 N LYS A 8 3.808 5.774 -17.349 1.00 0.00 N ATOM 108 CA LYS A 8 4.315 7.047 -17.847 1.00 0.00 C ATOM 109 C LYS A 8 3.284 7.731 -18.739 1.00 0.00 C ATOM 110 O LYS A 8 2.303 7.127 -19.172 1.00 0.00 O ATOM 111 CB LYS A 8 5.616 6.834 -18.623 1.00 0.00 C ATOM 112 CG LYS A 8 5.474 7.051 -20.120 1.00 0.00 C ATOM 113 CD LYS A 8 6.603 6.386 -20.889 1.00 0.00 C ATOM 114 CE LYS A 8 6.666 6.881 -22.326 1.00 0.00 C ATOM 115 NZ LYS A 8 8.032 7.344 -22.694 1.00 0.00 N ATOM 0 H LYS A 8 3.354 5.196 -18.056 1.00 0.00 H new ATOM 0 HA LYS A 8 4.513 7.691 -16.990 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.375 7.514 -18.236 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.974 5.820 -18.444 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.518 6.651 -20.457 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.466 8.120 -20.335 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.552 6.588 -20.392 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.463 5.305 -20.881 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.360 6.080 -23.000 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.957 7.698 -22.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.033 7.673 -23.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.314 8.125 -22.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.705 6.558 -22.591 1.00 0.00 H new ATOM 129 N PRO A 9 3.511 9.023 -19.024 1.00 0.00 N ATOM 130 CA PRO A 9 2.614 9.816 -19.869 1.00 0.00 C ATOM 131 C PRO A 9 2.662 9.384 -21.331 1.00 0.00 C ATOM 132 O PRO A 9 3.636 9.650 -22.036 1.00 0.00 O ATOM 133 CB PRO A 9 3.150 11.241 -19.715 1.00 0.00 C ATOM 134 CG PRO A 9 4.585 11.070 -19.356 1.00 0.00 C ATOM 135 CD PRO A 9 4.660 9.807 -18.543 1.00 0.00 C ATOM 0 HA PRO A 9 1.571 9.704 -19.574 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.038 11.808 -20.639 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.610 11.785 -18.940 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.205 10.996 -20.250 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.949 11.924 -18.785 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.601 9.281 -18.704 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.588 10.012 -17.475 1.00 0.00 H new ATOM 143 N HIS A 10 1.605 8.716 -21.781 1.00 0.00 N ATOM 144 CA HIS A 10 0.467 8.415 -20.919 1.00 0.00 C ATOM 145 C HIS A 10 0.065 6.948 -21.042 1.00 0.00 C ATOM 146 O HIS A 10 -0.194 6.456 -22.139 1.00 0.00 O ATOM 147 CB HIS A 10 -0.720 9.312 -21.274 1.00 0.00 C ATOM 148 CG HIS A 10 -0.756 10.592 -20.497 1.00 0.00 C ATOM 149 ND1 HIS A 10 -1.512 10.758 -19.356 1.00 0.00 N ATOM 150 CD2 HIS A 10 -0.123 11.771 -20.702 1.00 0.00 C ATOM 151 CE1 HIS A 10 -1.344 11.984 -18.894 1.00 0.00 C ATOM 152 NE2 HIS A 10 -0.505 12.619 -19.692 1.00 0.00 N ATOM 0 H HIS A 10 1.512 8.373 -22.737 1.00 0.00 H new ATOM 0 HA HIS A 10 0.763 8.607 -19.888 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -0.684 9.543 -22.339 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -1.645 8.763 -21.098 1.00 0.00 H new ATOM 0 HD2 HIS A 10 0.556 12.002 -21.510 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -1.813 12.397 -18.013 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -0.192 13.583 -19.577 1.00 0.00 H new ATOM 160 N ASN A 11 0.017 6.256 -19.908 1.00 0.00 N ATOM 161 CA ASN A 11 -0.351 4.845 -19.889 1.00 0.00 C ATOM 162 C ASN A 11 0.691 4.001 -20.616 1.00 0.00 C ATOM 163 O ASN A 11 0.351 3.115 -21.401 1.00 0.00 O ATOM 164 CB ASN A 11 -1.725 4.647 -20.533 1.00 0.00 C ATOM 165 CG ASN A 11 -2.474 3.466 -19.945 1.00 0.00 C ATOM 166 OD1 ASN A 11 -3.227 3.612 -18.982 1.00 0.00 O ATOM 167 ND2 ASN A 11 -2.270 2.289 -20.524 1.00 0.00 N ATOM 0 H ASN A 11 0.228 6.649 -18.991 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.394 4.520 -18.850 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -2.318 5.552 -20.402 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.603 4.499 -21.606 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -2.747 1.458 -20.173 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -1.637 2.215 -21.320 1.00 0.00 H new ATOM 174 N CYS A 12 1.962 4.281 -20.349 1.00 0.00 N ATOM 175 CA CYS A 12 3.055 3.549 -20.977 1.00 0.00 C ATOM 176 C CYS A 12 4.041 3.039 -19.929 1.00 0.00 C ATOM 177 O CYS A 12 4.144 3.596 -18.836 1.00 0.00 O ATOM 178 CB CYS A 12 3.781 4.441 -21.986 1.00 0.00 C ATOM 179 SG CYS A 12 2.724 5.710 -22.752 1.00 0.00 S ATOM 0 H CYS A 12 2.261 5.010 -19.701 1.00 0.00 H new ATOM 0 HA CYS A 12 2.632 2.691 -21.500 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.616 4.932 -21.486 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.204 3.814 -22.771 1.00 0.00 H new ATOM 184 N VAL A 13 4.764 1.978 -20.272 1.00 0.00 N ATOM 185 CA VAL A 13 5.742 1.393 -19.363 1.00 0.00 C ATOM 186 C VAL A 13 7.094 2.087 -19.490 1.00 0.00 C ATOM 187 O VAL A 13 7.423 2.639 -20.541 1.00 0.00 O ATOM 188 CB VAL A 13 5.923 -0.113 -19.626 1.00 0.00 C ATOM 189 CG1 VAL A 13 4.575 -0.784 -19.840 1.00 0.00 C ATOM 190 CG2 VAL A 13 6.836 -0.339 -20.822 1.00 0.00 C ATOM 0 H VAL A 13 4.691 1.506 -21.173 1.00 0.00 H new ATOM 0 HA VAL A 13 5.358 1.533 -18.352 1.00 0.00 H new ATOM 0 HB VAL A 13 6.391 -0.563 -18.750 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.723 -1.848 -20.024 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.958 -0.652 -18.951 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.076 -0.333 -20.698 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.953 -1.409 -20.993 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.399 0.125 -21.706 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.811 0.105 -20.624 1.00 0.00 H new ATOM 200 N TYR A 14 7.873 2.054 -18.415 1.00 0.00 N ATOM 201 CA TYR A 14 9.189 2.681 -18.406 1.00 0.00 C ATOM 202 C TYR A 14 10.279 1.666 -18.741 1.00 0.00 C ATOM 203 O TYR A 14 10.694 0.882 -17.889 1.00 0.00 O ATOM 204 CB TYR A 14 9.467 3.312 -17.041 1.00 0.00 C ATOM 205 CG TYR A 14 9.032 4.757 -16.941 1.00 0.00 C ATOM 206 CD1 TYR A 14 9.727 5.760 -17.605 1.00 0.00 C ATOM 207 CD2 TYR A 14 7.925 5.119 -16.183 1.00 0.00 C ATOM 208 CE1 TYR A 14 9.334 7.081 -17.517 1.00 0.00 C ATOM 209 CE2 TYR A 14 7.523 6.437 -16.091 1.00 0.00 C ATOM 210 CZ TYR A 14 8.231 7.414 -16.759 1.00 0.00 C ATOM 211 OH TYR A 14 7.834 8.729 -16.668 1.00 0.00 O ATOM 0 H TYR A 14 7.616 1.600 -17.539 1.00 0.00 H new ATOM 0 HA TYR A 14 9.197 3.460 -19.168 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.955 2.733 -16.272 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.535 3.248 -16.831 1.00 0.00 H new ATOM 0 HD1 TYR A 14 10.590 5.502 -18.201 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.370 4.357 -15.657 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.887 7.848 -18.038 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.659 6.701 -15.499 1.00 0.00 H new ATOM 0 HH TYR A 14 7.040 8.792 -16.097 1.00 0.00 H new ATOM 221 N GLU A 15 10.737 1.690 -19.989 1.00 0.00 N ATOM 222 CA GLU A 15 11.777 0.772 -20.437 1.00 0.00 C ATOM 223 C GLU A 15 13.087 1.032 -19.697 1.00 0.00 C ATOM 224 O GLU A 15 13.486 2.180 -19.503 1.00 0.00 O ATOM 225 CB GLU A 15 11.995 0.910 -21.945 1.00 0.00 C ATOM 226 CG GLU A 15 12.605 -0.324 -22.588 1.00 0.00 C ATOM 227 CD GLU A 15 14.116 -0.356 -22.472 1.00 0.00 C ATOM 228 OE1 GLU A 15 14.685 0.582 -21.873 1.00 0.00 O ATOM 229 OE2 GLU A 15 14.731 -1.317 -22.980 1.00 0.00 O ATOM 0 H GLU A 15 10.405 2.334 -20.706 1.00 0.00 H new ATOM 0 HA GLU A 15 11.449 -0.244 -20.216 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.039 1.124 -22.424 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.644 1.765 -22.133 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.189 -1.216 -22.119 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.324 -0.357 -23.641 1.00 0.00 H new ATOM 236 N CYS A 16 13.751 -0.044 -19.287 1.00 0.00 N ATOM 237 CA CYS A 16 15.014 0.065 -18.568 1.00 0.00 C ATOM 238 C CYS A 16 16.183 0.199 -19.540 1.00 0.00 C ATOM 239 O CYS A 16 16.355 -0.626 -20.438 1.00 0.00 O ATOM 240 CB CYS A 16 15.221 -1.156 -17.670 1.00 0.00 C ATOM 241 SG CYS A 16 15.821 -2.634 -18.550 1.00 0.00 S ATOM 0 H CYS A 16 13.435 -1.001 -19.441 1.00 0.00 H new ATOM 0 HA CYS A 16 14.974 0.961 -17.948 1.00 0.00 H new ATOM 0 HB2 CYS A 16 15.933 -0.900 -16.885 1.00 0.00 H new ATOM 0 HB3 CYS A 16 14.278 -1.397 -17.179 1.00 0.00 H new ATOM 246 N TYR A 17 16.983 1.243 -19.353 1.00 0.00 N ATOM 247 CA TYR A 17 18.134 1.487 -20.214 1.00 0.00 C ATOM 248 C TYR A 17 19.424 1.026 -19.542 1.00 0.00 C ATOM 249 O TYR A 17 20.410 0.719 -20.211 1.00 0.00 O ATOM 250 CB TYR A 17 18.231 2.973 -20.563 1.00 0.00 C ATOM 251 CG TYR A 17 18.680 3.234 -21.983 1.00 0.00 C ATOM 252 CD1 TYR A 17 18.381 4.433 -22.617 1.00 0.00 C ATOM 253 CD2 TYR A 17 19.402 2.280 -22.690 1.00 0.00 C ATOM 254 CE1 TYR A 17 18.789 4.676 -23.915 1.00 0.00 C ATOM 255 CE2 TYR A 17 19.814 2.515 -23.988 1.00 0.00 C ATOM 256 CZ TYR A 17 19.505 3.714 -24.596 1.00 0.00 C ATOM 257 OH TYR A 17 19.913 3.950 -25.888 1.00 0.00 O ATOM 0 H TYR A 17 16.856 1.934 -18.613 1.00 0.00 H new ATOM 0 HA TYR A 17 17.998 0.914 -21.131 1.00 0.00 H new ATOM 0 HB2 TYR A 17 17.258 3.438 -20.407 1.00 0.00 H new ATOM 0 HB3 TYR A 17 18.928 3.454 -19.876 1.00 0.00 H new ATOM 0 HD1 TYR A 17 17.820 5.188 -22.087 1.00 0.00 H new ATOM 0 HD2 TYR A 17 19.645 1.340 -22.217 1.00 0.00 H new ATOM 0 HE1 TYR A 17 18.548 5.614 -24.393 1.00 0.00 H new ATOM 0 HE2 TYR A 17 20.375 1.764 -24.524 1.00 0.00 H new ATOM 0 HH TYR A 17 20.407 3.172 -26.222 1.00 0.00 H new ATOM 267 N ASN A 18 19.408 0.979 -18.214 1.00 0.00 N ATOM 268 CA ASN A 18 20.575 0.556 -17.449 1.00 0.00 C ATOM 269 C ASN A 18 20.179 -0.427 -16.351 1.00 0.00 C ATOM 270 O ASN A 18 19.953 -0.051 -15.200 1.00 0.00 O ATOM 271 CB ASN A 18 21.277 1.769 -16.835 1.00 0.00 C ATOM 272 CG ASN A 18 22.767 1.549 -16.663 1.00 0.00 C ATOM 273 OD1 ASN A 18 23.548 2.501 -16.640 1.00 0.00 O ATOM 274 ND2 ASN A 18 23.170 0.289 -16.543 1.00 0.00 N ATOM 0 H ASN A 18 18.599 1.229 -17.645 1.00 0.00 H new ATOM 0 HA ASN A 18 21.262 0.054 -18.131 1.00 0.00 H new ATOM 0 HB2 ASN A 18 21.112 2.640 -17.469 1.00 0.00 H new ATOM 0 HB3 ASN A 18 20.831 1.991 -15.866 1.00 0.00 H new ATOM 0 HD21 ASN A 18 24.161 0.080 -16.426 1.00 0.00 H new ATOM 0 HD22 ASN A 18 22.488 -0.469 -16.568 1.00 0.00 H new ATOM 281 N PRO A 19 20.094 -1.715 -16.712 1.00 0.00 N ATOM 282 CA PRO A 19 19.727 -2.778 -15.772 1.00 0.00 C ATOM 283 C PRO A 19 20.816 -3.039 -14.737 1.00 0.00 C ATOM 284 O PRO A 19 20.541 -3.525 -13.640 1.00 0.00 O ATOM 285 CB PRO A 19 19.543 -4.002 -16.674 1.00 0.00 C ATOM 286 CG PRO A 19 20.391 -3.724 -17.866 1.00 0.00 C ATOM 287 CD PRO A 19 20.351 -2.234 -18.066 1.00 0.00 C ATOM 0 HA PRO A 19 18.840 -2.521 -15.193 1.00 0.00 H new ATOM 0 HB2 PRO A 19 19.856 -4.916 -16.170 1.00 0.00 H new ATOM 0 HB3 PRO A 19 18.498 -4.134 -16.954 1.00 0.00 H new ATOM 0 HG2 PRO A 19 21.413 -4.069 -17.707 1.00 0.00 H new ATOM 0 HG3 PRO A 19 20.012 -4.246 -18.745 1.00 0.00 H new ATOM 0 HD2 PRO A 19 21.291 -1.857 -18.469 1.00 0.00 H new ATOM 0 HD3 PRO A 19 19.566 -1.943 -18.764 1.00 0.00 H new ATOM 295 N LYS A 20 22.054 -2.712 -15.092 1.00 0.00 N ATOM 296 CA LYS A 20 23.185 -2.909 -14.194 1.00 0.00 C ATOM 297 C LYS A 20 23.482 -1.637 -13.406 1.00 0.00 C ATOM 298 O LYS A 20 24.603 -1.428 -12.945 1.00 0.00 O ATOM 299 CB LYS A 20 24.425 -3.330 -14.987 1.00 0.00 C ATOM 300 CG LYS A 20 24.569 -4.835 -15.134 1.00 0.00 C ATOM 301 CD LYS A 20 25.405 -5.428 -14.012 1.00 0.00 C ATOM 302 CE LYS A 20 24.713 -5.285 -12.666 1.00 0.00 C ATOM 303 NZ LYS A 20 23.399 -5.986 -12.641 1.00 0.00 N ATOM 0 H LYS A 20 22.299 -2.309 -15.996 1.00 0.00 H new ATOM 0 HA LYS A 20 22.924 -3.700 -13.490 1.00 0.00 H new ATOM 0 HB2 LYS A 20 24.383 -2.879 -15.978 1.00 0.00 H new ATOM 0 HB3 LYS A 20 25.313 -2.935 -14.494 1.00 0.00 H new ATOM 0 HG2 LYS A 20 23.582 -5.297 -15.137 1.00 0.00 H new ATOM 0 HG3 LYS A 20 25.031 -5.065 -16.094 1.00 0.00 H new ATOM 0 HD2 LYS A 20 25.593 -6.482 -14.215 1.00 0.00 H new ATOM 0 HD3 LYS A 20 26.375 -4.932 -13.978 1.00 0.00 H new ATOM 0 HE2 LYS A 20 25.355 -5.688 -11.883 1.00 0.00 H new ATOM 0 HE3 LYS A 20 24.565 -4.228 -12.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 22.645 -5.303 -12.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 23.219 -6.420 -13.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 23.414 -6.726 -11.910 1.00 0.00 H new ATOM 317 N GLY A 21 22.467 -0.791 -13.253 1.00 0.00 N ATOM 318 CA GLY A 21 22.640 0.449 -12.518 1.00 0.00 C ATOM 319 C GLY A 21 21.419 0.810 -11.696 1.00 0.00 C ATOM 320 O GLY A 21 20.464 0.037 -11.618 1.00 0.00 O ATOM 0 H GLY A 21 21.529 -0.942 -13.624 1.00 0.00 H new ATOM 0 HA2 GLY A 21 23.504 0.360 -11.860 1.00 0.00 H new ATOM 0 HA3 GLY A 21 22.854 1.256 -13.218 1.00 0.00 H new ATOM 324 N SER A 22 21.450 1.987 -11.079 1.00 0.00 N ATOM 325 CA SER A 22 20.339 2.447 -10.253 1.00 0.00 C ATOM 326 C SER A 22 19.398 3.340 -11.056 1.00 0.00 C ATOM 327 O SER A 22 18.748 4.228 -10.506 1.00 0.00 O ATOM 328 CB SER A 22 20.863 3.206 -9.033 1.00 0.00 C ATOM 329 OG SER A 22 21.495 2.327 -8.118 1.00 0.00 O ATOM 0 H SER A 22 22.232 2.639 -11.135 1.00 0.00 H new ATOM 0 HA SER A 22 19.783 1.572 -9.916 1.00 0.00 H new ATOM 0 HB2 SER A 22 21.569 3.972 -9.353 1.00 0.00 H new ATOM 0 HB3 SER A 22 20.038 3.719 -8.538 1.00 0.00 H new ATOM 0 HG SER A 22 21.823 2.837 -7.348 1.00 0.00 H new ATOM 335 N TYR A 23 19.332 3.097 -12.361 1.00 0.00 N ATOM 336 CA TYR A 23 18.474 3.880 -13.241 1.00 0.00 C ATOM 337 C TYR A 23 17.003 3.679 -12.888 1.00 0.00 C ATOM 338 O TYR A 23 16.354 4.574 -12.347 1.00 0.00 O ATOM 339 CB TYR A 23 18.717 3.493 -14.701 1.00 0.00 C ATOM 340 CG TYR A 23 18.017 4.396 -15.691 1.00 0.00 C ATOM 341 CD1 TYR A 23 18.335 5.747 -15.774 1.00 0.00 C ATOM 342 CD2 TYR A 23 17.039 3.900 -16.544 1.00 0.00 C ATOM 343 CE1 TYR A 23 17.698 6.576 -16.676 1.00 0.00 C ATOM 344 CE2 TYR A 23 16.398 4.722 -17.451 1.00 0.00 C ATOM 345 CZ TYR A 23 16.731 6.059 -17.513 1.00 0.00 C ATOM 346 OH TYR A 23 16.093 6.881 -18.414 1.00 0.00 O ATOM 0 H TYR A 23 19.863 2.364 -12.832 1.00 0.00 H new ATOM 0 HA TYR A 23 18.721 4.933 -13.105 1.00 0.00 H new ATOM 0 HB2 TYR A 23 19.789 3.512 -14.900 1.00 0.00 H new ATOM 0 HB3 TYR A 23 18.382 2.468 -14.857 1.00 0.00 H new ATOM 0 HD1 TYR A 23 19.093 6.155 -15.122 1.00 0.00 H new ATOM 0 HD2 TYR A 23 16.775 2.854 -16.497 1.00 0.00 H new ATOM 0 HE1 TYR A 23 17.955 7.624 -16.726 1.00 0.00 H new ATOM 0 HE2 TYR A 23 15.641 4.320 -18.108 1.00 0.00 H new ATOM 0 HH TYR A 23 15.441 6.360 -18.928 1.00 0.00 H new ATOM 356 N CYS A 24 16.484 2.496 -13.198 1.00 0.00 N ATOM 357 CA CYS A 24 15.090 2.174 -12.915 1.00 0.00 C ATOM 358 C CYS A 24 14.774 2.384 -11.437 1.00 0.00 C ATOM 359 O CYS A 24 13.703 2.878 -11.085 1.00 0.00 O ATOM 360 CB CYS A 24 14.788 0.727 -13.312 1.00 0.00 C ATOM 361 SG CYS A 24 13.091 0.189 -12.925 1.00 0.00 S ATOM 0 H CYS A 24 17.008 1.744 -13.645 1.00 0.00 H new ATOM 0 HA CYS A 24 14.461 2.843 -13.502 1.00 0.00 H new ATOM 0 HB2 CYS A 24 14.959 0.612 -14.382 1.00 0.00 H new ATOM 0 HB3 CYS A 24 15.492 0.068 -12.804 1.00 0.00 H new ATOM 366 N ASN A 25 15.713 2.004 -10.576 1.00 0.00 N ATOM 367 CA ASN A 25 15.534 2.151 -9.136 1.00 0.00 C ATOM 368 C ASN A 25 15.255 3.605 -8.768 1.00 0.00 C ATOM 369 O ASN A 25 14.247 3.912 -8.131 1.00 0.00 O ATOM 370 CB ASN A 25 16.776 1.654 -8.394 1.00 0.00 C ATOM 371 CG ASN A 25 16.450 1.123 -7.011 1.00 0.00 C ATOM 372 OD1 ASN A 25 16.332 -0.086 -6.811 1.00 0.00 O ATOM 373 ND2 ASN A 25 16.302 2.027 -6.050 1.00 0.00 N ATOM 0 H ASN A 25 16.605 1.592 -10.850 1.00 0.00 H new ATOM 0 HA ASN A 25 14.676 1.549 -8.838 1.00 0.00 H new ATOM 0 HB2 ASN A 25 17.255 0.868 -8.978 1.00 0.00 H new ATOM 0 HB3 ASN A 25 17.494 2.469 -8.307 1.00 0.00 H new ATOM 0 HD21 ASN A 25 16.081 1.730 -5.100 1.00 0.00 H new ATOM 0 HD22 ASN A 25 16.409 3.019 -6.262 1.00 0.00 H new ATOM 380 N ASP A 26 16.154 4.495 -9.173 1.00 0.00 N ATOM 381 CA ASP A 26 16.004 5.917 -8.887 1.00 0.00 C ATOM 382 C ASP A 26 14.656 6.432 -9.381 1.00 0.00 C ATOM 383 O ASP A 26 13.894 7.036 -8.624 1.00 0.00 O ATOM 384 CB ASP A 26 17.137 6.712 -9.538 1.00 0.00 C ATOM 385 CG ASP A 26 18.366 6.798 -8.654 1.00 0.00 C ATOM 386 OD1 ASP A 26 19.419 6.254 -9.047 1.00 0.00 O ATOM 387 OD2 ASP A 26 18.275 7.411 -7.570 1.00 0.00 O ATOM 0 H ASP A 26 16.994 4.257 -9.700 1.00 0.00 H new ATOM 0 HA ASP A 26 16.050 6.052 -7.806 1.00 0.00 H new ATOM 0 HB2 ASP A 26 17.406 6.246 -10.486 1.00 0.00 H new ATOM 0 HB3 ASP A 26 16.786 7.718 -9.767 1.00 0.00 H new ATOM 392 N LEU A 27 14.367 6.190 -10.655 1.00 0.00 N ATOM 393 CA LEU A 27 13.110 6.630 -11.251 1.00 0.00 C ATOM 394 C LEU A 27 11.918 6.009 -10.529 1.00 0.00 C ATOM 395 O LEU A 27 10.879 6.648 -10.361 1.00 0.00 O ATOM 396 CB LEU A 27 13.071 6.261 -12.735 1.00 0.00 C ATOM 397 CG LEU A 27 11.689 5.954 -13.314 1.00 0.00 C ATOM 398 CD1 LEU A 27 10.769 7.155 -13.164 1.00 0.00 C ATOM 399 CD2 LEU A 27 11.801 5.544 -14.775 1.00 0.00 C ATOM 0 H LEU A 27 14.986 5.692 -11.295 1.00 0.00 H new ATOM 0 HA LEU A 27 13.048 7.714 -11.150 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.507 7.082 -13.305 1.00 0.00 H new ATOM 0 HB3 LEU A 27 13.709 5.391 -12.889 1.00 0.00 H new ATOM 0 HG LEU A 27 11.260 5.122 -12.757 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.790 6.918 -13.581 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.663 7.402 -12.108 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.193 8.007 -13.695 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.808 5.329 -15.170 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.252 6.355 -15.347 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.424 4.653 -14.856 1.00 0.00 H new ATOM 411 N CYS A 28 12.076 4.761 -10.102 1.00 0.00 N ATOM 412 CA CYS A 28 11.015 4.054 -9.396 1.00 0.00 C ATOM 413 C CYS A 28 10.714 4.722 -8.057 1.00 0.00 C ATOM 414 O CYS A 28 9.596 5.179 -7.815 1.00 0.00 O ATOM 415 CB CYS A 28 11.408 2.592 -9.172 1.00 0.00 C ATOM 416 SG CYS A 28 10.802 1.455 -10.459 1.00 0.00 S ATOM 0 H CYS A 28 12.930 4.218 -10.233 1.00 0.00 H new ATOM 0 HA CYS A 28 10.116 4.091 -10.011 1.00 0.00 H new ATOM 0 HB2 CYS A 28 12.495 2.522 -9.123 1.00 0.00 H new ATOM 0 HB3 CYS A 28 11.024 2.267 -8.205 1.00 0.00 H new ATOM 421 N THR A 29 11.719 4.774 -7.189 1.00 0.00 N ATOM 422 CA THR A 29 11.563 5.385 -5.874 1.00 0.00 C ATOM 423 C THR A 29 11.237 6.869 -5.993 1.00 0.00 C ATOM 424 O THR A 29 10.603 7.446 -5.110 1.00 0.00 O ATOM 425 CB THR A 29 12.835 5.216 -5.022 1.00 0.00 C ATOM 426 OG1 THR A 29 13.716 6.326 -5.232 1.00 0.00 O ATOM 427 CG2 THR A 29 13.552 3.920 -5.370 1.00 0.00 C ATOM 0 H THR A 29 12.650 4.400 -7.373 1.00 0.00 H new ATOM 0 HA THR A 29 10.736 4.873 -5.383 1.00 0.00 H new ATOM 0 HB THR A 29 12.541 5.179 -3.973 1.00 0.00 H new ATOM 0 HG1 THR A 29 14.522 6.212 -4.686 1.00 0.00 H new ATOM 0 HG21 THR A 29 14.447 3.823 -4.755 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.889 3.076 -5.182 1.00 0.00 H new ATOM 0 HG23 THR A 29 13.834 3.932 -6.423 1.00 0.00 H new ATOM 435 N GLU A 30 11.675 7.481 -7.088 1.00 0.00 N ATOM 436 CA GLU A 30 11.429 8.900 -7.321 1.00 0.00 C ATOM 437 C GLU A 30 9.938 9.214 -7.237 1.00 0.00 C ATOM 438 O GLU A 30 9.546 10.364 -7.044 1.00 0.00 O ATOM 439 CB GLU A 30 11.974 9.317 -8.688 1.00 0.00 C ATOM 440 CG GLU A 30 11.800 10.797 -8.986 1.00 0.00 C ATOM 441 CD GLU A 30 12.156 11.676 -7.803 1.00 0.00 C ATOM 442 OE1 GLU A 30 13.360 11.794 -7.494 1.00 0.00 O ATOM 443 OE2 GLU A 30 11.231 12.246 -7.187 1.00 0.00 O ATOM 0 H GLU A 30 12.202 7.017 -7.828 1.00 0.00 H new ATOM 0 HA GLU A 30 11.946 9.465 -6.545 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.034 9.067 -8.739 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.472 8.737 -9.462 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.425 11.068 -9.837 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.767 10.986 -9.277 1.00 0.00 H new ATOM 450 N ASN A 31 9.113 8.183 -7.386 1.00 0.00 N ATOM 451 CA ASN A 31 7.665 8.348 -7.328 1.00 0.00 C ATOM 452 C ASN A 31 7.120 7.901 -5.976 1.00 0.00 C ATOM 453 O ASN A 31 5.939 7.578 -5.846 1.00 0.00 O ATOM 454 CB ASN A 31 6.995 7.552 -8.450 1.00 0.00 C ATOM 455 CG ASN A 31 7.381 8.056 -9.827 1.00 0.00 C ATOM 456 OD1 ASN A 31 6.527 8.484 -10.605 1.00 0.00 O ATOM 457 ND2 ASN A 31 8.671 8.007 -10.135 1.00 0.00 N ATOM 0 H ASN A 31 9.422 7.225 -7.548 1.00 0.00 H new ATOM 0 HA ASN A 31 7.439 9.406 -7.458 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.270 6.501 -8.360 1.00 0.00 H new ATOM 0 HB3 ASN A 31 5.913 7.609 -8.336 1.00 0.00 H new ATOM 0 HD21 ASN A 31 8.990 8.332 -11.048 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.343 7.644 -9.459 1.00 0.00 H new ATOM 464 N GLY A 32 7.988 7.885 -4.969 1.00 0.00 N ATOM 465 CA GLY A 32 7.575 7.476 -3.639 1.00 0.00 C ATOM 466 C GLY A 32 7.870 6.015 -3.364 1.00 0.00 C ATOM 467 O GLY A 32 7.799 5.566 -2.220 1.00 0.00 O ATOM 0 H GLY A 32 8.970 8.148 -5.051 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.085 8.092 -2.898 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.506 7.656 -3.522 1.00 0.00 H new ATOM 471 N ALA A 33 8.201 5.272 -4.414 1.00 0.00 N ATOM 472 CA ALA A 33 8.508 3.853 -4.280 1.00 0.00 C ATOM 473 C ALA A 33 9.728 3.637 -3.391 1.00 0.00 C ATOM 474 O ALA A 33 10.574 4.521 -3.258 1.00 0.00 O ATOM 475 CB ALA A 33 8.733 3.230 -5.650 1.00 0.00 C ATOM 0 H ALA A 33 8.264 5.629 -5.368 1.00 0.00 H new ATOM 0 HA ALA A 33 7.656 3.365 -3.807 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.961 2.170 -5.535 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.833 3.344 -6.254 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.567 3.729 -6.144 1.00 0.00 H new ATOM 481 N GLU A 34 9.812 2.457 -2.785 1.00 0.00 N ATOM 482 CA GLU A 34 10.929 2.128 -1.908 1.00 0.00 C ATOM 483 C GLU A 34 12.148 1.695 -2.718 1.00 0.00 C ATOM 484 O GLU A 34 13.288 1.919 -2.312 1.00 0.00 O ATOM 485 CB GLU A 34 10.531 1.018 -0.933 1.00 0.00 C ATOM 486 CG GLU A 34 11.317 1.038 0.367 1.00 0.00 C ATOM 487 CD GLU A 34 11.469 -0.342 0.978 1.00 0.00 C ATOM 488 OE1 GLU A 34 10.598 -0.732 1.784 1.00 0.00 O ATOM 489 OE2 GLU A 34 12.458 -1.030 0.651 1.00 0.00 O ATOM 0 H GLU A 34 9.121 1.714 -2.885 1.00 0.00 H new ATOM 0 HA GLU A 34 11.189 3.023 -1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.469 1.109 -0.707 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.672 0.052 -1.418 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.305 1.461 0.184 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.817 1.694 1.080 1.00 0.00 H new ATOM 496 N SER A 35 11.898 1.073 -3.866 1.00 0.00 N ATOM 497 CA SER A 35 12.973 0.604 -4.731 1.00 0.00 C ATOM 498 C SER A 35 12.455 0.322 -6.138 1.00 0.00 C ATOM 499 O SER A 35 11.263 0.458 -6.411 1.00 0.00 O ATOM 500 CB SER A 35 13.612 -0.659 -4.149 1.00 0.00 C ATOM 501 OG SER A 35 14.365 -0.359 -2.986 1.00 0.00 O ATOM 0 H SER A 35 10.960 0.882 -4.218 1.00 0.00 H new ATOM 0 HA SER A 35 13.726 1.390 -4.790 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.836 -1.385 -3.906 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.258 -1.121 -4.896 1.00 0.00 H new ATOM 0 HG SER A 35 14.305 0.601 -2.796 1.00 0.00 H new ATOM 507 N GLY A 36 13.360 -0.072 -7.028 1.00 0.00 N ATOM 508 CA GLY A 36 12.977 -0.367 -8.397 1.00 0.00 C ATOM 509 C GLY A 36 14.130 -0.908 -9.218 1.00 0.00 C ATOM 510 O GLY A 36 15.295 -0.683 -8.890 1.00 0.00 O ATOM 0 H GLY A 36 14.352 -0.192 -6.826 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.164 -1.093 -8.395 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.594 0.539 -8.867 1.00 0.00 H new ATOM 514 N TYR A 37 13.805 -1.626 -10.288 1.00 0.00 N ATOM 515 CA TYR A 37 14.823 -2.205 -11.157 1.00 0.00 C ATOM 516 C TYR A 37 14.215 -2.658 -12.481 1.00 0.00 C ATOM 517 O TYR A 37 12.998 -2.627 -12.662 1.00 0.00 O ATOM 518 CB TYR A 37 15.502 -3.388 -10.464 1.00 0.00 C ATOM 519 CG TYR A 37 14.530 -4.364 -9.840 1.00 0.00 C ATOM 520 CD1 TYR A 37 13.530 -4.959 -10.599 1.00 0.00 C ATOM 521 CD2 TYR A 37 14.611 -4.690 -8.492 1.00 0.00 C ATOM 522 CE1 TYR A 37 12.640 -5.851 -10.034 1.00 0.00 C ATOM 523 CE2 TYR A 37 13.726 -5.582 -7.919 1.00 0.00 C ATOM 524 CZ TYR A 37 12.742 -6.160 -8.694 1.00 0.00 C ATOM 525 OH TYR A 37 11.857 -7.048 -8.126 1.00 0.00 O ATOM 0 H TYR A 37 12.845 -1.821 -10.574 1.00 0.00 H new ATOM 0 HA TYR A 37 15.568 -1.437 -11.364 1.00 0.00 H new ATOM 0 HB2 TYR A 37 16.120 -3.917 -11.189 1.00 0.00 H new ATOM 0 HB3 TYR A 37 16.171 -3.010 -9.691 1.00 0.00 H new ATOM 0 HD1 TYR A 37 13.447 -4.720 -11.649 1.00 0.00 H new ATOM 0 HD2 TYR A 37 15.379 -4.238 -7.882 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.868 -6.304 -10.638 1.00 0.00 H new ATOM 0 HE2 TYR A 37 13.804 -5.826 -6.870 1.00 0.00 H new ATOM 0 HH TYR A 37 12.067 -7.156 -7.175 1.00 0.00 H new ATOM 535 N CYS A 38 15.073 -3.080 -13.404 1.00 0.00 N ATOM 536 CA CYS A 38 14.624 -3.540 -14.713 1.00 0.00 C ATOM 537 C CYS A 38 13.994 -4.926 -14.615 1.00 0.00 C ATOM 538 O CYS A 38 14.643 -5.884 -14.196 1.00 0.00 O ATOM 539 CB CYS A 38 15.795 -3.567 -15.697 1.00 0.00 C ATOM 540 SG CYS A 38 15.359 -4.183 -17.355 1.00 0.00 S ATOM 0 H CYS A 38 16.084 -3.113 -13.270 1.00 0.00 H new ATOM 0 HA CYS A 38 13.870 -2.842 -15.077 1.00 0.00 H new ATOM 0 HB2 CYS A 38 16.200 -2.560 -15.790 1.00 0.00 H new ATOM 0 HB3 CYS A 38 16.587 -4.192 -15.285 1.00 0.00 H new ATOM 545 N GLN A 39 12.727 -5.023 -15.005 1.00 0.00 N ATOM 546 CA GLN A 39 12.010 -6.292 -14.961 1.00 0.00 C ATOM 547 C GLN A 39 11.865 -6.884 -16.359 1.00 0.00 C ATOM 548 O GLN A 39 11.356 -6.231 -17.270 1.00 0.00 O ATOM 549 CB GLN A 39 10.630 -6.101 -14.329 1.00 0.00 C ATOM 550 CG GLN A 39 9.844 -7.393 -14.182 1.00 0.00 C ATOM 551 CD GLN A 39 9.020 -7.433 -12.910 1.00 0.00 C ATOM 552 OE1 GLN A 39 7.796 -7.558 -12.952 1.00 0.00 O ATOM 553 NE2 GLN A 39 9.689 -7.328 -11.767 1.00 0.00 N ATOM 0 H GLN A 39 12.176 -4.239 -15.355 1.00 0.00 H new ATOM 0 HA GLN A 39 12.588 -6.986 -14.351 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.750 -5.645 -13.346 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.055 -5.403 -14.937 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.184 -7.512 -15.042 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.534 -8.237 -14.190 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.704 -7.226 -11.778 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.188 -7.350 -10.879 1.00 0.00 H new ATOM 562 N ILE A 40 12.316 -8.124 -16.520 1.00 0.00 N ATOM 563 CA ILE A 40 12.235 -8.804 -17.807 1.00 0.00 C ATOM 564 C ILE A 40 10.989 -9.678 -17.890 1.00 0.00 C ATOM 565 O ILE A 40 10.484 -9.957 -18.978 1.00 0.00 O ATOM 566 CB ILE A 40 13.478 -9.676 -18.062 1.00 0.00 C ATOM 567 CG1 ILE A 40 14.748 -8.923 -17.659 1.00 0.00 C ATOM 568 CG2 ILE A 40 13.543 -10.092 -19.524 1.00 0.00 C ATOM 569 CD1 ILE A 40 14.944 -8.826 -16.163 1.00 0.00 C ATOM 0 H ILE A 40 12.741 -8.678 -15.776 1.00 0.00 H new ATOM 0 HA ILE A 40 12.183 -8.028 -18.571 1.00 0.00 H new ATOM 0 HB ILE A 40 13.403 -10.576 -17.452 1.00 0.00 H new ATOM 0 HG12 ILE A 40 15.611 -9.422 -18.099 1.00 0.00 H new ATOM 0 HG13 ILE A 40 14.713 -7.918 -18.079 1.00 0.00 H new ATOM 0 HG21 ILE A 40 14.427 -10.708 -19.688 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.650 -10.663 -19.780 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.598 -9.203 -20.153 1.00 0.00 H new ATOM 0 HD11 ILE A 40 15.863 -8.280 -15.951 1.00 0.00 H new ATOM 0 HD12 ILE A 40 14.099 -8.300 -15.719 1.00 0.00 H new ATOM 0 HD13 ILE A 40 15.011 -9.828 -15.739 1.00 0.00 H new ATOM 581 N LEU A 41 10.495 -10.106 -16.733 1.00 0.00 N ATOM 582 CA LEU A 41 9.305 -10.948 -16.674 1.00 0.00 C ATOM 583 C LEU A 41 8.037 -10.108 -16.792 1.00 0.00 C ATOM 584 O LEU A 41 7.053 -10.350 -16.095 1.00 0.00 O ATOM 585 CB LEU A 41 9.284 -11.743 -15.367 1.00 0.00 C ATOM 586 CG LEU A 41 8.668 -13.141 -15.442 1.00 0.00 C ATOM 587 CD1 LEU A 41 9.253 -14.041 -14.366 1.00 0.00 C ATOM 588 CD2 LEU A 41 7.154 -13.063 -15.310 1.00 0.00 C ATOM 0 H LEU A 41 10.900 -9.884 -15.824 1.00 0.00 H new ATOM 0 HA LEU A 41 9.338 -11.642 -17.514 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.308 -11.838 -15.006 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.736 -11.166 -14.622 1.00 0.00 H new ATOM 0 HG LEU A 41 8.907 -13.571 -16.415 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.803 -15.031 -14.435 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.331 -14.122 -14.506 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.046 -13.616 -13.384 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.732 -14.066 -15.365 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.895 -12.613 -14.352 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.749 -12.454 -16.118 1.00 0.00 H new ATOM 600 N GLY A 42 8.069 -9.119 -17.680 1.00 0.00 N ATOM 601 CA GLY A 42 6.916 -8.259 -17.875 1.00 0.00 C ATOM 602 C GLY A 42 6.068 -8.686 -19.056 1.00 0.00 C ATOM 603 O GLY A 42 6.590 -8.981 -20.131 1.00 0.00 O ATOM 0 H GLY A 42 8.873 -8.898 -18.268 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.305 -8.265 -16.972 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.253 -7.233 -18.025 1.00 0.00 H new ATOM 607 N LYS A 43 4.754 -8.720 -18.858 1.00 0.00 N ATOM 608 CA LYS A 43 3.830 -9.114 -19.914 1.00 0.00 C ATOM 609 C LYS A 43 4.049 -8.274 -21.169 1.00 0.00 C ATOM 610 O LYS A 43 3.735 -8.706 -22.279 1.00 0.00 O ATOM 611 CB LYS A 43 2.384 -8.969 -19.436 1.00 0.00 C ATOM 612 CG LYS A 43 2.203 -7.914 -18.359 1.00 0.00 C ATOM 613 CD LYS A 43 2.216 -8.528 -16.969 1.00 0.00 C ATOM 614 CE LYS A 43 0.863 -9.124 -16.611 1.00 0.00 C ATOM 615 NZ LYS A 43 -0.076 -8.094 -16.087 1.00 0.00 N ATOM 0 H LYS A 43 4.305 -8.479 -17.974 1.00 0.00 H new ATOM 0 HA LYS A 43 4.021 -10.159 -20.159 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.752 -8.719 -20.288 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.038 -9.930 -19.054 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.998 -7.172 -18.438 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.261 -7.389 -18.517 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.981 -9.303 -16.919 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.485 -7.767 -16.236 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.429 -9.596 -17.493 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.997 -9.907 -15.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.986 -8.540 -15.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.326 -7.661 -15.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.224 -7.360 -16.809 1.00 0.00 H new ATOM 629 N TYR A 44 4.589 -7.075 -20.986 1.00 0.00 N ATOM 630 CA TYR A 44 4.849 -6.175 -22.103 1.00 0.00 C ATOM 631 C TYR A 44 6.346 -6.062 -22.376 1.00 0.00 C ATOM 632 O TYR A 44 6.812 -5.077 -22.946 1.00 0.00 O ATOM 633 CB TYR A 44 4.266 -4.790 -21.815 1.00 0.00 C ATOM 634 CG TYR A 44 3.049 -4.820 -20.918 1.00 0.00 C ATOM 635 CD1 TYR A 44 3.174 -4.696 -19.540 1.00 0.00 C ATOM 636 CD2 TYR A 44 1.774 -4.972 -21.449 1.00 0.00 C ATOM 637 CE1 TYR A 44 2.065 -4.724 -18.716 1.00 0.00 C ATOM 638 CE2 TYR A 44 0.659 -4.998 -20.633 1.00 0.00 C ATOM 639 CZ TYR A 44 0.810 -4.874 -19.268 1.00 0.00 C ATOM 640 OH TYR A 44 -0.298 -4.902 -18.452 1.00 0.00 O ATOM 0 H TYR A 44 4.855 -6.703 -20.074 1.00 0.00 H new ATOM 0 HA TYR A 44 4.367 -6.588 -22.989 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.034 -4.171 -21.351 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.000 -4.314 -22.759 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.155 -4.576 -19.105 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.652 -5.072 -22.517 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.180 -4.629 -17.646 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.325 -5.115 -21.062 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.104 -5.013 -18.998 1.00 0.00 H new ATOM 650 N GLY A 45 7.094 -7.081 -21.964 1.00 0.00 N ATOM 651 CA GLY A 45 8.530 -7.079 -22.173 1.00 0.00 C ATOM 652 C GLY A 45 9.288 -6.522 -20.984 1.00 0.00 C ATOM 653 O GLY A 45 9.005 -6.874 -19.839 1.00 0.00 O ATOM 0 H GLY A 45 6.731 -7.908 -21.489 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.867 -8.097 -22.370 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.764 -6.488 -23.059 1.00 0.00 H new ATOM 657 N ASN A 46 10.254 -5.651 -21.255 1.00 0.00 N ATOM 658 CA ASN A 46 11.057 -5.046 -20.198 1.00 0.00 C ATOM 659 C ASN A 46 10.439 -3.732 -19.731 1.00 0.00 C ATOM 660 O ASN A 46 10.299 -2.789 -20.509 1.00 0.00 O ATOM 661 CB ASN A 46 12.486 -4.806 -20.688 1.00 0.00 C ATOM 662 CG ASN A 46 13.267 -6.096 -20.849 1.00 0.00 C ATOM 663 OD1 ASN A 46 13.578 -6.511 -21.966 1.00 0.00 O ATOM 664 ND2 ASN A 46 13.587 -6.737 -19.731 1.00 0.00 N ATOM 0 H ASN A 46 10.500 -5.348 -22.197 1.00 0.00 H new ATOM 0 HA ASN A 46 11.081 -5.736 -19.354 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.456 -4.281 -21.643 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.005 -4.156 -19.983 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.112 -7.611 -19.776 1.00 0.00 H new ATOM 0 HD22 ASN A 46 13.308 -6.356 -18.827 1.00 0.00 H new ATOM 671 N ALA A 47 10.073 -3.677 -18.455 1.00 0.00 N ATOM 672 CA ALA A 47 9.473 -2.477 -17.883 1.00 0.00 C ATOM 673 C ALA A 47 10.050 -2.179 -16.503 1.00 0.00 C ATOM 674 O ALA A 47 10.425 -3.091 -15.765 1.00 0.00 O ATOM 675 CB ALA A 47 7.962 -2.630 -17.803 1.00 0.00 C ATOM 0 H ALA A 47 10.181 -4.449 -17.797 1.00 0.00 H new ATOM 0 HA ALA A 47 9.708 -1.636 -18.536 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.527 -1.727 -17.374 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.559 -2.787 -18.803 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.716 -3.485 -17.174 1.00 0.00 H new ATOM 681 N CYS A 48 10.121 -0.897 -16.161 1.00 0.00 N ATOM 682 CA CYS A 48 10.653 -0.478 -14.870 1.00 0.00 C ATOM 683 C CYS A 48 9.753 -0.949 -13.731 1.00 0.00 C ATOM 684 O CYS A 48 8.649 -0.436 -13.547 1.00 0.00 O ATOM 685 CB CYS A 48 10.798 1.044 -14.824 1.00 0.00 C ATOM 686 SG CYS A 48 11.833 1.652 -13.454 1.00 0.00 S ATOM 0 H CYS A 48 9.817 -0.130 -16.760 1.00 0.00 H new ATOM 0 HA CYS A 48 11.635 -0.934 -14.745 1.00 0.00 H new ATOM 0 HB2 CYS A 48 11.225 1.386 -15.767 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.807 1.490 -14.742 1.00 0.00 H new ATOM 691 N TRP A 49 10.232 -1.926 -12.971 1.00 0.00 N ATOM 692 CA TRP A 49 9.471 -2.466 -11.850 1.00 0.00 C ATOM 693 C TRP A 49 9.863 -1.781 -10.546 1.00 0.00 C ATOM 694 O TRP A 49 11.032 -1.786 -10.157 1.00 0.00 O ATOM 695 CB TRP A 49 9.694 -3.975 -11.735 1.00 0.00 C ATOM 696 CG TRP A 49 8.980 -4.594 -10.571 1.00 0.00 C ATOM 697 CD1 TRP A 49 9.418 -4.654 -9.279 1.00 0.00 C ATOM 698 CD2 TRP A 49 7.704 -5.241 -10.596 1.00 0.00 C ATOM 699 NE1 TRP A 49 8.490 -5.300 -8.498 1.00 0.00 N ATOM 700 CE2 TRP A 49 7.429 -5.670 -9.282 1.00 0.00 C ATOM 701 CE3 TRP A 49 6.765 -5.500 -11.598 1.00 0.00 C ATOM 702 CZ2 TRP A 49 6.256 -6.342 -8.949 1.00 0.00 C ATOM 703 CZ3 TRP A 49 5.602 -6.167 -11.266 1.00 0.00 C ATOM 704 CH2 TRP A 49 5.355 -6.581 -9.950 1.00 0.00 C ATOM 0 H TRP A 49 11.144 -2.361 -13.110 1.00 0.00 H new ATOM 0 HA TRP A 49 8.414 -2.275 -12.035 1.00 0.00 H new ATOM 0 HB2 TRP A 49 9.360 -4.456 -12.654 1.00 0.00 H new ATOM 0 HB3 TRP A 49 10.762 -4.171 -11.643 1.00 0.00 H new ATOM 0 HD1 TRP A 49 10.356 -4.253 -8.923 1.00 0.00 H new ATOM 0 HE1 TRP A 49 8.577 -5.476 -7.497 1.00 0.00 H new ATOM 0 HE3 TRP A 49 6.946 -5.184 -12.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 6.064 -6.663 -7.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 4.871 -6.373 -12.033 1.00 0.00 H new ATOM 0 HH2 TRP A 49 4.435 -7.099 -9.722 1.00 0.00 H new ATOM 715 N CYS A 50 8.880 -1.192 -9.873 1.00 0.00 N ATOM 716 CA CYS A 50 9.122 -0.501 -8.612 1.00 0.00 C ATOM 717 C CYS A 50 8.560 -1.299 -7.439 1.00 0.00 C ATOM 718 O CYS A 50 7.437 -1.800 -7.498 1.00 0.00 O ATOM 719 CB CYS A 50 8.496 0.894 -8.642 1.00 0.00 C ATOM 720 SG CYS A 50 8.726 1.779 -10.217 1.00 0.00 S ATOM 0 H CYS A 50 7.907 -1.179 -10.180 1.00 0.00 H new ATOM 0 HA CYS A 50 10.200 -0.404 -8.480 1.00 0.00 H new ATOM 0 HB2 CYS A 50 7.429 0.806 -8.440 1.00 0.00 H new ATOM 0 HB3 CYS A 50 8.925 1.490 -7.837 1.00 0.00 H new ATOM 725 N ILE A 51 9.348 -1.410 -6.375 1.00 0.00 N ATOM 726 CA ILE A 51 8.928 -2.145 -5.188 1.00 0.00 C ATOM 727 C ILE A 51 8.435 -1.197 -4.100 1.00 0.00 C ATOM 728 O ILE A 51 9.024 -0.141 -3.870 1.00 0.00 O ATOM 729 CB ILE A 51 10.074 -3.004 -4.623 1.00 0.00 C ATOM 730 CG1 ILE A 51 10.451 -4.107 -5.614 1.00 0.00 C ATOM 731 CG2 ILE A 51 9.676 -3.603 -3.282 1.00 0.00 C ATOM 732 CD1 ILE A 51 11.387 -3.643 -6.708 1.00 0.00 C ATOM 0 H ILE A 51 10.280 -1.001 -6.310 1.00 0.00 H new ATOM 0 HA ILE A 51 8.112 -2.799 -5.495 1.00 0.00 H new ATOM 0 HB ILE A 51 10.944 -2.366 -4.470 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.919 -4.928 -5.071 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.542 -4.502 -6.068 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.497 -4.208 -2.896 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.453 -2.802 -2.578 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.793 -4.229 -3.411 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.611 -4.477 -7.373 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.914 -2.842 -7.277 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.312 -3.275 -6.264 1.00 0.00 H new ATOM 744 N GLN A 52 7.351 -1.582 -3.434 1.00 0.00 N ATOM 745 CA GLN A 52 6.780 -0.766 -2.369 1.00 0.00 C ATOM 746 C GLN A 52 6.244 0.552 -2.920 1.00 0.00 C ATOM 747 O GLN A 52 6.431 1.610 -2.319 1.00 0.00 O ATOM 748 CB GLN A 52 7.828 -0.492 -1.289 1.00 0.00 C ATOM 749 CG GLN A 52 7.857 -1.541 -0.189 1.00 0.00 C ATOM 750 CD GLN A 52 6.833 -1.278 0.896 1.00 0.00 C ATOM 751 OE1 GLN A 52 7.122 -0.611 1.890 1.00 0.00 O ATOM 752 NE2 GLN A 52 5.626 -1.801 0.712 1.00 0.00 N ATOM 0 H GLN A 52 6.851 -2.453 -3.613 1.00 0.00 H new ATOM 0 HA GLN A 52 5.950 -1.319 -1.928 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.812 -0.439 -1.755 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.633 0.484 -0.844 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.675 -2.523 -0.624 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.852 -1.569 0.255 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.429 -2.347 -0.127 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.896 -1.656 1.409 1.00 0.00 H new ATOM 761 N LEU A 53 5.579 0.480 -4.068 1.00 0.00 N ATOM 762 CA LEU A 53 5.016 1.667 -4.701 1.00 0.00 C ATOM 763 C LEU A 53 3.635 1.983 -4.136 1.00 0.00 C ATOM 764 O LEU A 53 2.775 1.111 -4.007 1.00 0.00 O ATOM 765 CB LEU A 53 4.926 1.468 -6.215 1.00 0.00 C ATOM 766 CG LEU A 53 4.892 2.742 -7.059 1.00 0.00 C ATOM 767 CD1 LEU A 53 6.206 3.498 -6.938 1.00 0.00 C ATOM 768 CD2 LEU A 53 4.598 2.410 -8.515 1.00 0.00 C ATOM 0 H LEU A 53 5.417 -0.388 -4.579 1.00 0.00 H new ATOM 0 HA LEU A 53 5.676 2.508 -4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.778 0.868 -6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.029 0.888 -6.432 1.00 0.00 H new ATOM 0 HG LEU A 53 4.093 3.381 -6.684 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.163 4.402 -7.546 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.375 3.769 -5.896 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.023 2.866 -7.286 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.578 3.329 -9.101 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.375 1.750 -8.902 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.631 1.913 -8.587 1.00 0.00 H new ATOM 780 N PRO A 54 3.414 3.261 -3.791 1.00 0.00 N ATOM 781 CA PRO A 54 2.138 3.722 -3.236 1.00 0.00 C ATOM 782 C PRO A 54 1.017 3.705 -4.269 1.00 0.00 C ATOM 783 O PRO A 54 1.246 3.958 -5.452 1.00 0.00 O ATOM 784 CB PRO A 54 2.440 5.157 -2.798 1.00 0.00 C ATOM 785 CG PRO A 54 3.573 5.588 -3.664 1.00 0.00 C ATOM 786 CD PRO A 54 4.394 4.353 -3.916 1.00 0.00 C ATOM 0 HA PRO A 54 1.789 3.080 -2.428 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.572 5.803 -2.932 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.710 5.200 -1.743 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.209 6.013 -4.600 1.00 0.00 H new ATOM 0 HG3 PRO A 54 4.168 6.359 -3.174 1.00 0.00 H new ATOM 0 HD2 PRO A 54 4.853 4.370 -4.905 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.202 4.253 -3.191 1.00 0.00 H new ATOM 794 N ASP A 55 -0.195 3.406 -3.815 1.00 0.00 N ATOM 795 CA ASP A 55 -1.353 3.358 -4.701 1.00 0.00 C ATOM 796 C ASP A 55 -1.626 4.729 -5.313 1.00 0.00 C ATOM 797 O ASP A 55 -2.472 4.868 -6.194 1.00 0.00 O ATOM 798 CB ASP A 55 -2.585 2.872 -3.937 1.00 0.00 C ATOM 799 CG ASP A 55 -2.476 1.416 -3.529 1.00 0.00 C ATOM 800 OD1 ASP A 55 -3.468 0.872 -2.999 1.00 0.00 O ATOM 801 OD2 ASP A 55 -1.400 0.820 -3.740 1.00 0.00 O ATOM 0 H ASP A 55 -0.402 3.193 -2.839 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.135 2.657 -5.507 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.723 3.486 -3.047 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.471 3.007 -4.558 1.00 0.00 H new ATOM 806 N ASN A 56 -0.904 5.738 -4.837 1.00 0.00 N ATOM 807 CA ASN A 56 -1.070 7.098 -5.336 1.00 0.00 C ATOM 808 C ASN A 56 -0.401 7.264 -6.697 1.00 0.00 C ATOM 809 O ASN A 56 -0.788 8.121 -7.491 1.00 0.00 O ATOM 810 CB ASN A 56 -0.486 8.104 -4.342 1.00 0.00 C ATOM 811 CG ASN A 56 -1.246 8.129 -3.030 1.00 0.00 C ATOM 812 OD1 ASN A 56 -1.586 7.083 -2.476 1.00 0.00 O ATOM 813 ND2 ASN A 56 -1.518 9.327 -2.527 1.00 0.00 N ATOM 0 H ASN A 56 -0.199 5.640 -4.107 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.137 7.288 -5.450 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.558 7.856 -4.149 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.500 9.099 -4.786 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.028 9.407 -1.647 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.217 10.168 -3.020 1.00 0.00 H new ATOM 820 N VAL A 57 0.607 6.437 -6.959 1.00 0.00 N ATOM 821 CA VAL A 57 1.330 6.490 -8.224 1.00 0.00 C ATOM 822 C VAL A 57 0.719 5.538 -9.246 1.00 0.00 C ATOM 823 O VAL A 57 0.382 4.394 -8.942 1.00 0.00 O ATOM 824 CB VAL A 57 2.817 6.139 -8.036 1.00 0.00 C ATOM 825 CG1 VAL A 57 3.608 6.472 -9.292 1.00 0.00 C ATOM 826 CG2 VAL A 57 3.388 6.867 -6.828 1.00 0.00 C ATOM 0 H VAL A 57 0.941 5.723 -6.312 1.00 0.00 H new ATOM 0 HA VAL A 57 1.250 7.513 -8.592 1.00 0.00 H new ATOM 0 HB VAL A 57 2.899 5.067 -7.858 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.657 6.217 -9.140 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.214 5.901 -10.132 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.521 7.537 -9.505 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.440 6.607 -6.710 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.294 7.943 -6.974 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.839 6.573 -5.933 1.00 0.00 H new ATOM 836 N PRO A 58 0.573 6.019 -10.490 1.00 0.00 N ATOM 837 CA PRO A 58 0.003 5.226 -11.584 1.00 0.00 C ATOM 838 C PRO A 58 0.928 4.097 -12.024 1.00 0.00 C ATOM 839 O PRO A 58 2.151 4.239 -12.002 1.00 0.00 O ATOM 840 CB PRO A 58 -0.167 6.248 -12.711 1.00 0.00 C ATOM 841 CG PRO A 58 0.845 7.302 -12.422 1.00 0.00 C ATOM 842 CD PRO A 58 0.954 7.374 -10.924 1.00 0.00 C ATOM 0 HA PRO A 58 -0.925 4.735 -11.291 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.003 5.793 -13.687 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.176 6.660 -12.723 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.806 7.053 -12.871 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.538 8.262 -12.837 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.965 7.629 -10.606 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.289 8.131 -10.508 1.00 0.00 H new ATOM 850 N ILE A 59 0.337 2.976 -12.423 1.00 0.00 N ATOM 851 CA ILE A 59 1.109 1.823 -12.870 1.00 0.00 C ATOM 852 C ILE A 59 0.692 1.393 -14.273 1.00 0.00 C ATOM 853 O ILE A 59 -0.267 1.920 -14.835 1.00 0.00 O ATOM 854 CB ILE A 59 0.947 0.630 -11.910 1.00 0.00 C ATOM 855 CG1 ILE A 59 -0.532 0.265 -11.761 1.00 0.00 C ATOM 856 CG2 ILE A 59 1.557 0.955 -10.554 1.00 0.00 C ATOM 857 CD1 ILE A 59 -0.759 -1.157 -11.296 1.00 0.00 C ATOM 0 H ILE A 59 -0.674 2.842 -12.446 1.00 0.00 H new ATOM 0 HA ILE A 59 2.155 2.129 -12.882 1.00 0.00 H new ATOM 0 HB ILE A 59 1.474 -0.228 -12.328 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.997 0.949 -11.052 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.032 0.410 -12.719 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.435 0.102 -9.886 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.618 1.172 -10.675 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.055 1.824 -10.128 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.829 -1.346 -11.212 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.323 -1.849 -12.016 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.288 -1.301 -10.324 1.00 0.00 H new ATOM 869 N ARG A 60 1.419 0.430 -14.831 1.00 0.00 N ATOM 870 CA ARG A 60 1.125 -0.072 -16.167 1.00 0.00 C ATOM 871 C ARG A 60 -0.188 -0.850 -16.179 1.00 0.00 C ATOM 872 O ARG A 60 -0.327 -1.862 -15.492 1.00 0.00 O ATOM 873 CB ARG A 60 2.263 -0.966 -16.662 1.00 0.00 C ATOM 874 CG ARG A 60 1.841 -1.951 -17.739 1.00 0.00 C ATOM 875 CD ARG A 60 1.049 -1.265 -18.841 1.00 0.00 C ATOM 876 NE ARG A 60 1.791 -1.214 -20.098 1.00 0.00 N ATOM 877 CZ ARG A 60 1.486 -0.396 -21.099 1.00 0.00 C ATOM 878 NH1 ARG A 60 0.459 0.435 -20.991 1.00 0.00 N ATOM 879 NH2 ARG A 60 2.210 -0.407 -22.211 1.00 0.00 N ATOM 0 H ARG A 60 2.216 -0.018 -14.378 1.00 0.00 H new ATOM 0 HA ARG A 60 1.027 0.784 -16.835 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.064 -0.337 -17.051 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.673 -1.519 -15.817 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.724 -2.426 -18.166 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.237 -2.742 -17.294 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.109 -1.795 -18.996 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.795 -0.252 -18.528 1.00 0.00 H new ATOM 0 HE ARG A 60 2.587 -1.841 -20.213 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.099 0.447 -20.138 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.227 1.062 -21.761 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.002 -1.044 -22.298 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.975 0.222 -22.979 1.00 0.00 H new ATOM 893 N ILE A 61 -1.148 -0.369 -16.962 1.00 0.00 N ATOM 894 CA ILE A 61 -2.449 -1.019 -17.062 1.00 0.00 C ATOM 895 C ILE A 61 -2.716 -1.496 -18.486 1.00 0.00 C ATOM 896 O ILE A 61 -2.098 -1.038 -19.447 1.00 0.00 O ATOM 897 CB ILE A 61 -3.585 -0.074 -16.628 1.00 0.00 C ATOM 898 CG1 ILE A 61 -3.209 1.380 -16.921 1.00 0.00 C ATOM 899 CG2 ILE A 61 -3.892 -0.260 -15.149 1.00 0.00 C ATOM 900 CD1 ILE A 61 -4.377 2.336 -16.825 1.00 0.00 C ATOM 0 H ILE A 61 -1.049 0.468 -17.536 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.426 -1.878 -16.391 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.480 -0.320 -17.199 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.434 1.694 -16.222 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.780 1.442 -17.921 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.697 0.415 -14.857 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.198 -1.290 -14.968 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.001 -0.038 -14.562 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.038 3.348 -17.045 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.144 2.046 -17.543 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.792 2.303 -15.818 1.00 0.00 H new ATOM 912 N PRO A 62 -3.660 -2.439 -18.626 1.00 0.00 N ATOM 913 CA PRO A 62 -4.033 -2.998 -19.929 1.00 0.00 C ATOM 914 C PRO A 62 -4.771 -1.989 -20.802 1.00 0.00 C ATOM 915 O PRO A 62 -5.952 -2.160 -21.102 1.00 0.00 O ATOM 916 CB PRO A 62 -4.954 -4.165 -19.564 1.00 0.00 C ATOM 917 CG PRO A 62 -5.515 -3.802 -18.233 1.00 0.00 C ATOM 918 CD PRO A 62 -4.436 -3.031 -17.524 1.00 0.00 C ATOM 0 HA PRO A 62 -3.160 -3.293 -20.511 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.743 -4.293 -20.305 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.404 -5.105 -19.519 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.417 -3.200 -18.341 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.792 -4.693 -17.670 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.853 -2.266 -16.870 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.820 -3.681 -16.902 1.00 0.00 H new ATOM 926 N GLY A 63 -4.067 -0.937 -21.208 1.00 0.00 N ATOM 927 CA GLY A 63 -4.672 0.083 -22.044 1.00 0.00 C ATOM 928 C GLY A 63 -3.721 0.605 -23.103 1.00 0.00 C ATOM 929 O GLY A 63 -2.571 0.173 -23.183 1.00 0.00 O ATOM 0 H GLY A 63 -3.088 -0.773 -20.973 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.559 -0.327 -22.527 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.004 0.911 -21.418 1.00 0.00 H new ATOM 933 N LYS A 64 -4.202 1.536 -23.921 1.00 0.00 N ATOM 934 CA LYS A 64 -3.388 2.117 -24.981 1.00 0.00 C ATOM 935 C LYS A 64 -2.518 3.249 -24.441 1.00 0.00 C ATOM 936 O LYS A 64 -2.950 4.024 -23.588 1.00 0.00 O ATOM 937 CB LYS A 64 -4.280 2.640 -26.109 1.00 0.00 C ATOM 938 CG LYS A 64 -5.231 1.594 -26.666 1.00 0.00 C ATOM 939 CD LYS A 64 -4.542 0.700 -27.684 1.00 0.00 C ATOM 940 CE LYS A 64 -4.459 1.369 -29.047 1.00 0.00 C ATOM 941 NZ LYS A 64 -5.721 1.209 -29.821 1.00 0.00 N ATOM 0 H LYS A 64 -5.152 1.904 -23.869 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.736 1.336 -25.373 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.859 3.486 -25.740 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.650 3.013 -26.916 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.621 0.985 -25.851 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.084 2.088 -27.132 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.538 0.456 -27.335 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.086 -0.240 -27.772 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.244 2.430 -28.918 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.630 0.942 -29.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.624 1.679 -30.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.913 0.197 -29.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.508 1.639 -29.295 1.00 0.00 H new ATOM 955 N CYS A 65 -1.292 3.338 -24.945 1.00 0.00 N ATOM 956 CA CYS A 65 -0.362 4.375 -24.514 1.00 0.00 C ATOM 957 C CYS A 65 -0.512 5.630 -25.370 1.00 0.00 C ATOM 958 O CYS A 65 -0.978 5.566 -26.508 1.00 0.00 O ATOM 959 CB CYS A 65 1.077 3.862 -24.590 1.00 0.00 C ATOM 960 SG CYS A 65 2.335 5.179 -24.631 1.00 0.00 S ATOM 0 H CYS A 65 -0.919 2.705 -25.652 1.00 0.00 H new ATOM 0 HA CYS A 65 -0.595 4.631 -23.481 1.00 0.00 H new ATOM 0 HB2 CYS A 65 1.268 3.219 -23.731 1.00 0.00 H new ATOM 0 HB3 CYS A 65 1.184 3.244 -25.481 1.00 0.00 H new ATOM 965 N HIS A 66 -0.113 6.769 -24.814 1.00 0.00 N ATOM 966 CA HIS A 66 -0.202 8.039 -25.526 1.00 0.00 C ATOM 967 C HIS A 66 -1.539 8.164 -26.250 1.00 0.00 C ATOM 968 O HIS A 66 -1.602 8.658 -27.376 1.00 0.00 O ATOM 969 CB HIS A 66 0.947 8.169 -26.527 1.00 0.00 C ATOM 970 CG HIS A 66 0.816 7.260 -27.710 1.00 0.00 C ATOM 971 ND1 HIS A 66 0.295 7.669 -28.919 1.00 0.00 N ATOM 972 CD2 HIS A 66 1.144 5.956 -27.866 1.00 0.00 C ATOM 973 CE1 HIS A 66 0.306 6.656 -29.767 1.00 0.00 C ATOM 974 NE2 HIS A 66 0.817 5.604 -29.152 1.00 0.00 N ATOM 0 H HIS A 66 0.275 6.839 -23.873 1.00 0.00 H new ATOM 0 HA HIS A 66 -0.129 8.843 -24.794 1.00 0.00 H new ATOM 0 HB2 HIS A 66 0.999 9.200 -26.876 1.00 0.00 H new ATOM 0 HB3 HIS A 66 1.887 7.956 -26.018 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -0.046 8.608 -29.127 1.00 0.00 H new ATOM 0 HD2 HIS A 66 1.582 5.312 -27.118 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -0.043 6.683 -30.789 1.00 0.00 H new