USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 362 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 14 LYS NZ :NH3+ -155:sc= 0.0292 (180deg=0) USER MOD Set 1.2: A 15 ASN : amide:sc= -0.206 K(o=-0.18,f=-2.5!) USER MOD Set 2.1: A 13 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 23 THR OG1 : rot -158:sc= 0.457 USER MOD Single : A 1 ASP N :NH3+ 173:sc= 0.185 (180deg=0.171) USER MOD Single : A 6 TYR OH : rot 112:sc= 0.198 USER MOD Single : A 7 THR OG1 : rot -36:sc= -1.31 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -80:sc= -0.0334 USER MOD Single : A 18 GLN : amide:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 25 SER OG : rot 119:sc= 0.444 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -3.37! C(o=-3.4!,f=-10!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -109:sc= -6.99! USER MOD Single : A 38 GLN : amide:sc= -5.19! C(o=-5.2!,f=-6.3!) USER MOD Single : A 41 SER OG : rot 180:sc= -0.309 USER MOD Single : A 45 SER OG : rot 180:sc= -1.76! USER MOD Single : A 46 GLN : amide:sc= -0.0198 X(o=-0.02,f=-0.41) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc=-0.00727 X(o=-0.0073,f=0.16) USER MOD Single : A 59 ASN : amide:sc= -0.393 K(o=-0.39,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 9.641 -5.955 -6.723 1.00 0.00 N ATOM 2 CA ASP A 1 8.567 -6.933 -6.770 1.00 0.00 C ATOM 3 C ASP A 1 7.710 -6.804 -5.510 1.00 0.00 C ATOM 4 O ASP A 1 8.116 -7.235 -4.432 1.00 0.00 O ATOM 5 CB ASP A 1 9.123 -8.358 -6.821 1.00 0.00 C ATOM 6 CG ASP A 1 10.012 -8.663 -8.027 1.00 0.00 C ATOM 7 OD1 ASP A 1 10.119 -7.769 -8.895 1.00 0.00 O ATOM 8 OD2 ASP A 1 10.566 -9.783 -8.055 1.00 0.00 O ATOM 0 H1 ASP A 1 10.293 -6.117 -7.517 1.00 0.00 H new ATOM 0 H2 ASP A 1 9.242 -4.997 -6.793 1.00 0.00 H new ATOM 0 H3 ASP A 1 10.158 -6.050 -5.825 1.00 0.00 H new ATOM 0 HA ASP A 1 7.977 -6.744 -7.667 1.00 0.00 H new ATOM 0 HB2 ASP A 1 9.695 -8.541 -5.912 1.00 0.00 H new ATOM 0 HB3 ASP A 1 8.287 -9.058 -6.818 1.00 0.00 H new ATOM 13 N ILE A 2 6.540 -6.208 -5.687 1.00 0.00 N ATOM 14 CA ILE A 2 5.622 -6.017 -4.577 1.00 0.00 C ATOM 15 C ILE A 2 4.650 -7.196 -4.516 1.00 0.00 C ATOM 16 O ILE A 2 4.261 -7.629 -3.432 1.00 0.00 O ATOM 17 CB ILE A 2 4.931 -4.655 -4.682 1.00 0.00 C ATOM 18 CG1 ILE A 2 3.557 -4.787 -5.342 1.00 0.00 C ATOM 19 CG2 ILE A 2 5.821 -3.643 -5.406 1.00 0.00 C ATOM 20 CD1 ILE A 2 2.880 -3.422 -5.474 1.00 0.00 C ATOM 0 H ILE A 2 6.207 -5.851 -6.582 1.00 0.00 H new ATOM 0 HA ILE A 2 6.165 -6.002 -3.632 1.00 0.00 H new ATOM 0 HB ILE A 2 4.768 -4.276 -3.673 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.665 -5.240 -6.327 1.00 0.00 H new ATOM 0 HG13 ILE A 2 2.928 -5.453 -4.751 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.306 -2.684 -5.467 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.754 -3.520 -4.856 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.038 -4.003 -6.412 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.905 -3.544 -5.946 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.752 -2.982 -4.485 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.500 -2.766 -6.085 1.00 0.00 H new ATOM 32 N GLU A 3 4.285 -7.683 -5.693 1.00 0.00 N ATOM 33 CA GLU A 3 3.366 -8.805 -5.787 1.00 0.00 C ATOM 34 C GLU A 3 3.877 -9.981 -4.952 1.00 0.00 C ATOM 35 O GLU A 3 3.086 -10.765 -4.429 1.00 0.00 O ATOM 36 CB GLU A 3 3.153 -9.218 -7.244 1.00 0.00 C ATOM 37 CG GLU A 3 4.481 -9.577 -7.912 1.00 0.00 C ATOM 38 CD GLU A 3 4.486 -11.036 -8.375 1.00 0.00 C ATOM 39 OE1 GLU A 3 3.890 -11.863 -7.652 1.00 0.00 O ATOM 40 OE2 GLU A 3 5.085 -11.290 -9.443 1.00 0.00 O ATOM 0 H GLU A 3 4.609 -7.321 -6.590 1.00 0.00 H new ATOM 0 HA GLU A 3 2.401 -8.494 -5.387 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.477 -10.072 -7.288 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.675 -8.405 -7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.652 -8.921 -8.765 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.300 -9.411 -7.213 1.00 0.00 H new ATOM 47 N ASP A 4 5.195 -10.066 -4.852 1.00 0.00 N ATOM 48 CA ASP A 4 5.820 -11.134 -4.090 1.00 0.00 C ATOM 49 C ASP A 4 5.648 -10.856 -2.596 1.00 0.00 C ATOM 50 O ASP A 4 6.028 -11.675 -1.760 1.00 0.00 O ATOM 51 CB ASP A 4 7.319 -11.217 -4.386 1.00 0.00 C ATOM 52 CG ASP A 4 7.674 -11.543 -5.838 1.00 0.00 C ATOM 53 OD1 ASP A 4 6.904 -11.109 -6.722 1.00 0.00 O ATOM 54 OD2 ASP A 4 8.708 -12.219 -6.032 1.00 0.00 O ATOM 0 H ASP A 4 5.848 -9.413 -5.286 1.00 0.00 H new ATOM 0 HA ASP A 4 5.344 -12.073 -4.372 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.780 -10.266 -4.120 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.760 -11.977 -3.741 1.00 0.00 H new ATOM 59 N PHE A 5 5.075 -9.697 -2.304 1.00 0.00 N ATOM 60 CA PHE A 5 4.848 -9.301 -0.925 1.00 0.00 C ATOM 61 C PHE A 5 3.389 -8.895 -0.704 1.00 0.00 C ATOM 62 O PHE A 5 3.057 -8.290 0.314 1.00 0.00 O ATOM 63 CB PHE A 5 5.748 -8.094 -0.652 1.00 0.00 C ATOM 64 CG PHE A 5 7.151 -8.461 -0.165 1.00 0.00 C ATOM 65 CD1 PHE A 5 7.380 -8.659 1.161 1.00 0.00 C ATOM 66 CD2 PHE A 5 8.169 -8.589 -1.057 1.00 0.00 C ATOM 67 CE1 PHE A 5 8.682 -8.999 1.614 1.00 0.00 C ATOM 68 CE2 PHE A 5 9.471 -8.930 -0.604 1.00 0.00 C ATOM 69 CZ PHE A 5 9.700 -9.128 0.721 1.00 0.00 C ATOM 0 H PHE A 5 4.761 -9.020 -2.999 1.00 0.00 H new ATOM 0 HA PHE A 5 5.070 -10.134 -0.258 1.00 0.00 H new ATOM 0 HB2 PHE A 5 5.834 -7.504 -1.565 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.270 -7.459 0.094 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.571 -8.558 1.870 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.988 -8.431 -2.110 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.864 -9.155 2.667 1.00 0.00 H new ATOM 0 HE2 PHE A 5 10.280 -9.032 -1.313 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.690 -9.388 1.065 1.00 0.00 H new ATOM 79 N TYR A 6 2.558 -9.244 -1.674 1.00 0.00 N ATOM 80 CA TYR A 6 1.143 -8.924 -1.599 1.00 0.00 C ATOM 81 C TYR A 6 0.408 -9.898 -0.676 1.00 0.00 C ATOM 82 O TYR A 6 0.542 -11.113 -0.817 1.00 0.00 O ATOM 83 CB TYR A 6 0.599 -9.079 -3.021 1.00 0.00 C ATOM 84 CG TYR A 6 -0.826 -8.552 -3.202 1.00 0.00 C ATOM 85 CD1 TYR A 6 -1.271 -7.489 -2.442 1.00 0.00 C ATOM 86 CD2 TYR A 6 -1.666 -9.139 -4.126 1.00 0.00 C ATOM 87 CE1 TYR A 6 -2.613 -6.994 -2.614 1.00 0.00 C ATOM 88 CE2 TYR A 6 -3.007 -8.644 -4.297 1.00 0.00 C ATOM 89 CZ TYR A 6 -3.414 -7.595 -3.533 1.00 0.00 C ATOM 90 OH TYR A 6 -4.681 -7.127 -3.694 1.00 0.00 O ATOM 0 H TYR A 6 2.838 -9.746 -2.517 1.00 0.00 H new ATOM 0 HA TYR A 6 0.998 -7.919 -1.203 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.260 -8.555 -3.711 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.623 -10.134 -3.296 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -0.614 -7.029 -1.719 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.317 -9.970 -4.721 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -2.975 -6.164 -2.026 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.675 -9.095 -5.016 1.00 0.00 H new ATOM 0 HH TYR A 6 -4.764 -6.704 -4.574 1.00 0.00 H new ATOM 100 N THR A 7 -0.351 -9.329 0.249 1.00 0.00 N ATOM 101 CA THR A 7 -1.106 -10.132 1.195 1.00 0.00 C ATOM 102 C THR A 7 -2.608 -9.915 1.000 1.00 0.00 C ATOM 103 O THR A 7 -3.190 -9.008 1.594 1.00 0.00 O ATOM 104 CB THR A 7 -0.620 -9.785 2.604 1.00 0.00 C ATOM 105 OG1 THR A 7 -1.152 -8.485 2.845 1.00 0.00 O ATOM 106 CG2 THR A 7 0.896 -9.586 2.668 1.00 0.00 C ATOM 0 H THR A 7 -0.459 -8.321 0.363 1.00 0.00 H new ATOM 0 HA THR A 7 -0.939 -11.197 1.031 1.00 0.00 H new ATOM 0 HB THR A 7 -0.911 -10.577 3.294 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.142 -7.968 2.012 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.188 -9.342 3.689 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.397 -10.503 2.357 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.184 -8.771 2.004 1.00 0.00 H new ATOM 114 N SER A 8 -3.192 -10.762 0.165 1.00 0.00 N ATOM 115 CA SER A 8 -4.615 -10.673 -0.116 1.00 0.00 C ATOM 116 C SER A 8 -5.418 -11.184 1.083 1.00 0.00 C ATOM 117 O SER A 8 -6.648 -11.156 1.068 1.00 0.00 O ATOM 118 CB SER A 8 -4.978 -11.465 -1.374 1.00 0.00 C ATOM 119 OG SER A 8 -5.987 -10.814 -2.141 1.00 0.00 O ATOM 0 H SER A 8 -2.706 -11.513 -0.326 1.00 0.00 H new ATOM 0 HA SER A 8 -4.864 -9.627 -0.293 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.087 -11.600 -1.987 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.323 -12.459 -1.090 1.00 0.00 H new ATOM 0 HG SER A 8 -6.190 -11.350 -2.936 1.00 0.00 H new ATOM 125 N GLU A 9 -4.690 -11.638 2.092 1.00 0.00 N ATOM 126 CA GLU A 9 -5.319 -12.154 3.296 1.00 0.00 C ATOM 127 C GLU A 9 -5.829 -11.002 4.163 1.00 0.00 C ATOM 128 O GLU A 9 -6.934 -11.067 4.700 1.00 0.00 O ATOM 129 CB GLU A 9 -4.353 -13.045 4.080 1.00 0.00 C ATOM 130 CG GLU A 9 -4.996 -14.394 4.408 1.00 0.00 C ATOM 131 CD GLU A 9 -4.281 -15.073 5.578 1.00 0.00 C ATOM 132 OE1 GLU A 9 -3.031 -15.050 5.569 1.00 0.00 O ATOM 133 OE2 GLU A 9 -5.000 -15.599 6.454 1.00 0.00 O ATOM 0 H GLU A 9 -3.670 -11.659 2.101 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.171 -12.768 3.004 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.445 -13.203 3.499 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.058 -12.545 5.002 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.048 -14.249 4.655 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.961 -15.040 3.531 1.00 0.00 H new ATOM 140 N THR A 10 -5.000 -9.974 4.274 1.00 0.00 N ATOM 141 CA THR A 10 -5.354 -8.809 5.067 1.00 0.00 C ATOM 142 C THR A 10 -5.781 -7.655 4.158 1.00 0.00 C ATOM 143 O THR A 10 -6.551 -6.788 4.570 1.00 0.00 O ATOM 144 CB THR A 10 -4.162 -8.468 5.963 1.00 0.00 C ATOM 145 OG1 THR A 10 -4.606 -7.343 6.718 1.00 0.00 O ATOM 146 CG2 THR A 10 -2.966 -7.937 5.170 1.00 0.00 C ATOM 0 H THR A 10 -4.084 -9.924 3.828 1.00 0.00 H new ATOM 0 HA THR A 10 -6.213 -9.012 5.707 1.00 0.00 H new ATOM 0 HB THR A 10 -3.862 -9.355 6.521 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.894 -7.056 7.327 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.148 -7.711 5.854 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.641 -8.691 4.453 1.00 0.00 H new ATOM 0 HG23 THR A 10 -3.256 -7.031 4.638 1.00 0.00 H new ATOM 154 N CYS A 11 -5.263 -7.681 2.939 1.00 0.00 N ATOM 155 CA CYS A 11 -5.581 -6.647 1.969 1.00 0.00 C ATOM 156 C CYS A 11 -7.079 -6.720 1.663 1.00 0.00 C ATOM 157 O CYS A 11 -7.626 -7.806 1.478 1.00 0.00 O ATOM 158 CB CYS A 11 -4.733 -6.780 0.703 1.00 0.00 C ATOM 159 SG CYS A 11 -4.789 -5.331 -0.414 1.00 0.00 S ATOM 0 H CYS A 11 -4.625 -8.402 2.601 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.343 -5.668 2.385 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.697 -6.958 0.993 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.065 -7.660 0.151 1.00 0.00 H new ATOM 164 N PRO A 12 -7.715 -5.519 1.617 1.00 0.00 N ATOM 165 CA PRO A 12 -9.138 -5.437 1.336 1.00 0.00 C ATOM 166 C PRO A 12 -9.420 -5.682 -0.148 1.00 0.00 C ATOM 167 O PRO A 12 -10.537 -6.037 -0.521 1.00 0.00 O ATOM 168 CB PRO A 12 -9.550 -4.048 1.797 1.00 0.00 C ATOM 169 CG PRO A 12 -8.266 -3.241 1.887 1.00 0.00 C ATOM 170 CD PRO A 12 -7.099 -4.213 1.830 1.00 0.00 C ATOM 0 HA PRO A 12 -9.714 -6.203 1.856 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.248 -3.594 1.094 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.053 -4.090 2.763 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.207 -2.525 1.067 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.240 -2.667 2.813 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.413 -3.962 1.021 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.522 -4.193 2.754 1.00 0.00 H new ATOM 178 N TYR A 13 -8.387 -5.483 -0.954 1.00 0.00 N ATOM 179 CA TYR A 13 -8.509 -5.678 -2.389 1.00 0.00 C ATOM 180 C TYR A 13 -7.862 -6.995 -2.820 1.00 0.00 C ATOM 181 O TYR A 13 -7.308 -7.719 -1.994 1.00 0.00 O ATOM 182 CB TYR A 13 -7.753 -4.516 -3.038 1.00 0.00 C ATOM 183 CG TYR A 13 -8.443 -3.160 -2.881 1.00 0.00 C ATOM 184 CD1 TYR A 13 -9.415 -2.772 -3.780 1.00 0.00 C ATOM 185 CD2 TYR A 13 -8.094 -2.324 -1.839 1.00 0.00 C ATOM 186 CE1 TYR A 13 -10.065 -1.495 -3.632 1.00 0.00 C ATOM 187 CE2 TYR A 13 -8.743 -1.047 -1.691 1.00 0.00 C ATOM 188 CZ TYR A 13 -9.696 -0.696 -2.595 1.00 0.00 C ATOM 189 OH TYR A 13 -10.310 0.510 -2.455 1.00 0.00 O ATOM 0 H TYR A 13 -7.462 -5.189 -0.641 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.558 -5.712 -2.684 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.755 -4.457 -2.603 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.626 -4.727 -4.100 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -9.689 -3.426 -4.595 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -7.334 -2.628 -1.135 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -10.828 -1.179 -4.328 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -8.479 -0.384 -0.881 1.00 0.00 H new ATOM 0 HH TYR A 13 -9.947 0.973 -1.671 1.00 0.00 H new ATOM 199 N LYS A 14 -7.955 -7.267 -4.113 1.00 0.00 N ATOM 200 CA LYS A 14 -7.385 -8.486 -4.664 1.00 0.00 C ATOM 201 C LYS A 14 -7.084 -8.276 -6.150 1.00 0.00 C ATOM 202 O LYS A 14 -6.888 -7.146 -6.593 1.00 0.00 O ATOM 203 CB LYS A 14 -8.301 -9.679 -4.385 1.00 0.00 C ATOM 204 CG LYS A 14 -9.759 -9.336 -4.698 1.00 0.00 C ATOM 205 CD LYS A 14 -10.084 -9.612 -6.168 1.00 0.00 C ATOM 206 CE LYS A 14 -10.508 -8.330 -6.886 1.00 0.00 C ATOM 207 NZ LYS A 14 -11.007 -8.637 -8.244 1.00 0.00 N ATOM 0 H LYS A 14 -8.416 -6.665 -4.795 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.439 -8.719 -4.176 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.987 -10.532 -4.987 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.210 -9.976 -3.340 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.419 -9.923 -4.059 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.946 -8.286 -4.471 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.212 -10.039 -6.663 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.882 -10.351 -6.235 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.285 -7.825 -6.312 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.662 -7.645 -6.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.891 -7.802 -8.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.467 -9.433 -8.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.014 -8.892 -8.194 1.00 0.00 H new ATOM 221 N ASN A 15 -7.057 -9.383 -6.877 1.00 0.00 N ATOM 222 CA ASN A 15 -6.783 -9.335 -8.303 1.00 0.00 C ATOM 223 C ASN A 15 -5.283 -9.133 -8.523 1.00 0.00 C ATOM 224 O ASN A 15 -4.614 -9.992 -9.095 1.00 0.00 O ATOM 225 CB ASN A 15 -7.520 -8.170 -8.967 1.00 0.00 C ATOM 226 CG ASN A 15 -8.380 -8.658 -10.134 1.00 0.00 C ATOM 227 OD1 ASN A 15 -8.813 -9.798 -10.185 1.00 0.00 O ATOM 228 ND2 ASN A 15 -8.603 -7.736 -11.065 1.00 0.00 N ATOM 0 H ASN A 15 -7.220 -10.319 -6.505 1.00 0.00 H new ATOM 0 HA ASN A 15 -7.121 -10.273 -8.743 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.149 -7.667 -8.232 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -6.799 -7.435 -9.325 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -9.167 -7.964 -11.884 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -8.211 -6.800 -10.960 1.00 0.00 H new ATOM 235 N ASP A 16 -4.798 -7.991 -8.058 1.00 0.00 N ATOM 236 CA ASP A 16 -3.389 -7.665 -8.196 1.00 0.00 C ATOM 237 C ASP A 16 -2.953 -6.793 -7.017 1.00 0.00 C ATOM 238 O ASP A 16 -3.790 -6.224 -6.318 1.00 0.00 O ATOM 239 CB ASP A 16 -3.129 -6.881 -9.485 1.00 0.00 C ATOM 240 CG ASP A 16 -2.214 -7.579 -10.492 1.00 0.00 C ATOM 241 OD1 ASP A 16 -0.987 -7.364 -10.388 1.00 0.00 O ATOM 242 OD2 ASP A 16 -2.761 -8.311 -11.345 1.00 0.00 O ATOM 0 H ASP A 16 -5.356 -7.280 -7.585 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.828 -8.599 -8.222 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.085 -6.676 -9.967 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.690 -5.918 -9.225 1.00 0.00 H new ATOM 247 N SER A 17 -1.643 -6.715 -6.832 1.00 0.00 N ATOM 248 CA SER A 17 -1.086 -5.923 -5.749 1.00 0.00 C ATOM 249 C SER A 17 -1.037 -4.448 -6.152 1.00 0.00 C ATOM 250 O SER A 17 -1.124 -3.564 -5.301 1.00 0.00 O ATOM 251 CB SER A 17 0.311 -6.416 -5.368 1.00 0.00 C ATOM 252 OG SER A 17 1.213 -6.369 -6.470 1.00 0.00 O ATOM 0 H SER A 17 -0.951 -7.187 -7.414 1.00 0.00 H new ATOM 0 HA SER A 17 -1.731 -6.034 -4.877 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.701 -5.805 -4.554 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.246 -7.439 -4.996 1.00 0.00 H new ATOM 0 HG SER A 17 1.068 -7.149 -7.045 1.00 0.00 H new ATOM 258 N GLN A 18 -0.897 -4.226 -7.451 1.00 0.00 N ATOM 259 CA GLN A 18 -0.835 -2.874 -7.977 1.00 0.00 C ATOM 260 C GLN A 18 -2.172 -2.161 -7.769 1.00 0.00 C ATOM 261 O GLN A 18 -2.247 -0.936 -7.851 1.00 0.00 O ATOM 262 CB GLN A 18 -0.441 -2.878 -9.456 1.00 0.00 C ATOM 263 CG GLN A 18 0.009 -1.487 -9.908 1.00 0.00 C ATOM 264 CD GLN A 18 0.162 -1.427 -11.429 1.00 0.00 C ATOM 265 OE1 GLN A 18 0.935 -2.155 -12.030 1.00 0.00 O ATOM 266 NE2 GLN A 18 -0.617 -0.523 -12.016 1.00 0.00 N ATOM 0 H GLN A 18 -0.825 -4.961 -8.155 1.00 0.00 H new ATOM 0 HA GLN A 18 -0.065 -2.328 -7.431 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.363 -3.595 -9.620 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -1.287 -3.205 -10.060 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -0.717 -0.742 -9.582 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.958 -1.236 -9.433 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.242 0.054 -11.453 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.590 -0.407 -13.029 1.00 0.00 H new ATOM 275 N LEU A 19 -3.196 -2.958 -7.502 1.00 0.00 N ATOM 276 CA LEU A 19 -4.527 -2.419 -7.281 1.00 0.00 C ATOM 277 C LEU A 19 -4.570 -1.718 -5.922 1.00 0.00 C ATOM 278 O LEU A 19 -4.758 -0.505 -5.851 1.00 0.00 O ATOM 279 CB LEU A 19 -5.583 -3.515 -7.441 1.00 0.00 C ATOM 280 CG LEU A 19 -6.992 -3.164 -6.960 1.00 0.00 C ATOM 281 CD1 LEU A 19 -7.532 -1.935 -7.694 1.00 0.00 C ATOM 282 CD2 LEU A 19 -7.930 -4.366 -7.088 1.00 0.00 C ATOM 0 H LEU A 19 -3.131 -3.974 -7.434 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.763 -1.668 -8.035 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.638 -3.788 -8.495 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.245 -4.399 -6.900 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.938 -2.909 -5.902 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.535 -1.707 -7.333 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.877 -1.083 -7.508 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.569 -2.138 -8.764 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.925 -4.090 -6.739 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.984 -4.676 -8.132 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.550 -5.190 -6.484 1.00 0.00 H new ATOM 294 N ALA A 20 -4.391 -2.513 -4.877 1.00 0.00 N ATOM 295 CA ALA A 20 -4.407 -1.984 -3.524 1.00 0.00 C ATOM 296 C ALA A 20 -3.310 -0.927 -3.381 1.00 0.00 C ATOM 297 O ALA A 20 -3.423 -0.016 -2.562 1.00 0.00 O ATOM 298 CB ALA A 20 -4.244 -3.131 -2.525 1.00 0.00 C ATOM 0 H ALA A 20 -4.234 -3.519 -4.940 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.361 -1.500 -3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.256 -2.734 -1.510 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.063 -3.839 -2.647 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.296 -3.638 -2.705 1.00 0.00 H new ATOM 304 N TRP A 21 -2.273 -1.084 -4.191 1.00 0.00 N ATOM 305 CA TRP A 21 -1.156 -0.155 -4.165 1.00 0.00 C ATOM 306 C TRP A 21 -1.629 1.170 -4.768 1.00 0.00 C ATOM 307 O TRP A 21 -1.285 2.241 -4.270 1.00 0.00 O ATOM 308 CB TRP A 21 0.060 -0.739 -4.887 1.00 0.00 C ATOM 309 CG TRP A 21 1.136 0.294 -5.229 1.00 0.00 C ATOM 310 CD1 TRP A 21 1.187 1.112 -6.289 1.00 0.00 C ATOM 311 CD2 TRP A 21 2.322 0.587 -4.460 1.00 0.00 C ATOM 312 NE1 TRP A 21 2.314 1.908 -6.260 1.00 0.00 N ATOM 313 CE2 TRP A 21 3.026 1.578 -5.112 1.00 0.00 C ATOM 314 CE3 TRP A 21 2.784 0.032 -3.254 1.00 0.00 C ATOM 315 CZ2 TRP A 21 4.233 2.102 -4.635 1.00 0.00 C ATOM 316 CZ3 TRP A 21 3.992 0.566 -2.790 1.00 0.00 C ATOM 317 CH2 TRP A 21 4.713 1.564 -3.434 1.00 0.00 C ATOM 0 H TRP A 21 -2.183 -1.841 -4.869 1.00 0.00 H new ATOM 0 HA TRP A 21 -0.828 0.025 -3.141 1.00 0.00 H new ATOM 0 HB2 TRP A 21 0.502 -1.516 -4.263 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -0.273 -1.220 -5.807 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.440 1.144 -7.068 1.00 0.00 H new ATOM 0 HE1 TRP A 21 2.576 2.609 -6.953 1.00 0.00 H new ATOM 0 HE3 TRP A 21 2.249 -0.745 -2.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 4.765 2.879 -5.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.392 0.175 -1.866 1.00 0.00 H new ATOM 0 HH2 TRP A 21 5.639 1.923 -3.011 1.00 0.00 H new ATOM 328 N ASP A 22 -2.412 1.054 -5.831 1.00 0.00 N ATOM 329 CA ASP A 22 -2.936 2.229 -6.506 1.00 0.00 C ATOM 330 C ASP A 22 -3.953 2.922 -5.598 1.00 0.00 C ATOM 331 O ASP A 22 -4.292 4.085 -5.814 1.00 0.00 O ATOM 332 CB ASP A 22 -3.646 1.846 -7.806 1.00 0.00 C ATOM 333 CG ASP A 22 -3.081 2.500 -9.068 1.00 0.00 C ATOM 334 OD1 ASP A 22 -3.088 3.749 -9.112 1.00 0.00 O ATOM 335 OD2 ASP A 22 -2.655 1.737 -9.962 1.00 0.00 O ATOM 0 H ASP A 22 -2.696 0.164 -6.241 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.099 2.889 -6.733 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.598 0.763 -7.923 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.700 2.111 -7.718 1.00 0.00 H new ATOM 340 N THR A 23 -4.412 2.180 -4.601 1.00 0.00 N ATOM 341 CA THR A 23 -5.383 2.709 -3.660 1.00 0.00 C ATOM 342 C THR A 23 -4.709 3.677 -2.685 1.00 0.00 C ATOM 343 O THR A 23 -5.124 4.828 -2.561 1.00 0.00 O ATOM 344 CB THR A 23 -6.064 1.526 -2.968 1.00 0.00 C ATOM 345 OG1 THR A 23 -7.355 1.469 -3.570 1.00 0.00 O ATOM 346 CG2 THR A 23 -6.354 1.799 -1.491 1.00 0.00 C ATOM 0 H THR A 23 -4.129 1.216 -4.425 1.00 0.00 H new ATOM 0 HA THR A 23 -6.150 3.292 -4.170 1.00 0.00 H new ATOM 0 HB THR A 23 -5.433 0.642 -3.056 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.972 0.992 -2.976 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.837 0.928 -1.048 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.419 2.001 -0.968 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.013 2.663 -1.403 1.00 0.00 H new ATOM 354 N CYS A 24 -3.681 3.174 -2.018 1.00 0.00 N ATOM 355 CA CYS A 24 -2.945 3.979 -1.059 1.00 0.00 C ATOM 356 C CYS A 24 -1.787 4.660 -1.791 1.00 0.00 C ATOM 357 O CYS A 24 -1.771 5.882 -1.934 1.00 0.00 O ATOM 358 CB CYS A 24 -2.458 3.143 0.127 1.00 0.00 C ATOM 359 SG CYS A 24 -0.743 3.494 0.661 1.00 0.00 S ATOM 0 H CYS A 24 -3.340 2.218 -2.123 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.604 4.738 -0.637 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.128 3.310 0.971 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.533 2.088 -0.135 1.00 0.00 H new ATOM 364 N SER A 25 -0.845 3.840 -2.234 1.00 0.00 N ATOM 365 CA SER A 25 0.314 4.348 -2.948 1.00 0.00 C ATOM 366 C SER A 25 -0.069 4.698 -4.387 1.00 0.00 C ATOM 367 O SER A 25 0.565 4.232 -5.332 1.00 0.00 O ATOM 368 CB SER A 25 1.458 3.332 -2.935 1.00 0.00 C ATOM 369 OG SER A 25 1.000 2.017 -2.630 1.00 0.00 O ATOM 0 H SER A 25 -0.861 2.827 -2.112 1.00 0.00 H new ATOM 0 HA SER A 25 0.659 5.249 -2.442 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.951 3.328 -3.907 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.204 3.636 -2.201 1.00 0.00 H new ATOM 0 HG SER A 25 1.202 1.418 -3.379 1.00 0.00 H new ATOM 375 N GLY A 26 -1.104 5.516 -4.508 1.00 0.00 N ATOM 376 CA GLY A 26 -1.580 5.933 -5.816 1.00 0.00 C ATOM 377 C GLY A 26 -1.775 7.450 -5.870 1.00 0.00 C ATOM 378 O GLY A 26 -2.331 7.974 -6.834 1.00 0.00 O ATOM 0 H GLY A 26 -1.627 5.901 -3.721 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.867 5.627 -6.581 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.522 5.433 -6.040 1.00 0.00 H new ATOM 382 N GLY A 27 -1.307 8.112 -4.822 1.00 0.00 N ATOM 383 CA GLY A 27 -1.423 9.558 -4.738 1.00 0.00 C ATOM 384 C GLY A 27 -2.633 9.963 -3.894 1.00 0.00 C ATOM 385 O GLY A 27 -2.572 10.933 -3.140 1.00 0.00 O ATOM 0 H GLY A 27 -0.847 7.674 -4.024 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.515 9.974 -4.302 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.517 9.978 -5.740 1.00 0.00 H new ATOM 389 N THR A 28 -3.704 9.199 -4.049 1.00 0.00 N ATOM 390 CA THR A 28 -4.927 9.466 -3.310 1.00 0.00 C ATOM 391 C THR A 28 -5.460 8.178 -2.679 1.00 0.00 C ATOM 392 O THR A 28 -4.735 7.191 -2.566 1.00 0.00 O ATOM 393 CB THR A 28 -5.920 10.132 -4.265 1.00 0.00 C ATOM 394 OG1 THR A 28 -6.027 9.214 -5.350 1.00 0.00 O ATOM 395 CG2 THR A 28 -5.356 11.401 -4.905 1.00 0.00 C ATOM 0 H THR A 28 -3.751 8.395 -4.675 1.00 0.00 H new ATOM 0 HA THR A 28 -4.747 10.147 -2.479 1.00 0.00 H new ATOM 0 HB THR A 28 -6.836 10.374 -3.725 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.654 9.566 -6.016 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.101 11.833 -5.573 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.106 12.121 -4.126 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.459 11.154 -5.473 1.00 0.00 H new ATOM 403 N GLY A 29 -6.724 8.230 -2.285 1.00 0.00 N ATOM 404 CA GLY A 29 -7.364 7.080 -1.668 1.00 0.00 C ATOM 405 C GLY A 29 -7.099 7.049 -0.161 1.00 0.00 C ATOM 406 O GLY A 29 -7.183 8.077 0.509 1.00 0.00 O ATOM 0 H GLY A 29 -7.322 9.050 -2.381 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.438 7.115 -1.852 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.992 6.163 -2.125 1.00 0.00 H new ATOM 410 N ASN A 30 -6.785 5.858 0.327 1.00 0.00 N ATOM 411 CA ASN A 30 -6.508 5.679 1.742 1.00 0.00 C ATOM 412 C ASN A 30 -4.995 5.587 1.954 1.00 0.00 C ATOM 413 O ASN A 30 -4.528 4.820 2.795 1.00 0.00 O ATOM 414 CB ASN A 30 -7.138 4.387 2.268 1.00 0.00 C ATOM 415 CG ASN A 30 -6.633 3.173 1.486 1.00 0.00 C ATOM 416 OD1 ASN A 30 -5.494 3.110 1.054 1.00 0.00 O ATOM 417 ND2 ASN A 30 -7.542 2.215 1.329 1.00 0.00 N ATOM 0 H ASN A 30 -6.716 5.008 -0.232 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.929 6.530 2.278 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.902 4.267 3.325 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.223 4.449 2.189 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -7.303 1.363 0.821 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.478 2.332 1.717 1.00 0.00 H new ATOM 424 N CYS A 31 -4.272 6.379 1.176 1.00 0.00 N ATOM 425 CA CYS A 31 -2.822 6.396 1.267 1.00 0.00 C ATOM 426 C CYS A 31 -2.436 6.703 2.715 1.00 0.00 C ATOM 427 O CYS A 31 -3.136 7.443 3.405 1.00 0.00 O ATOM 428 CB CYS A 31 -2.206 7.397 0.288 1.00 0.00 C ATOM 429 SG CYS A 31 -1.930 9.071 0.973 1.00 0.00 S ATOM 0 H CYS A 31 -4.663 7.014 0.480 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.425 5.421 0.985 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.253 7.001 -0.062 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.856 7.479 -0.583 1.00 0.00 H new ATOM 434 N GLY A 32 -1.322 6.119 3.134 1.00 0.00 N ATOM 435 CA GLY A 32 -0.834 6.321 4.487 1.00 0.00 C ATOM 436 C GLY A 32 0.219 5.273 4.852 1.00 0.00 C ATOM 437 O GLY A 32 0.596 4.450 4.019 1.00 0.00 O ATOM 0 H GLY A 32 -0.744 5.506 2.559 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.406 7.319 4.578 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.666 6.266 5.189 1.00 0.00 H new ATOM 441 N THR A 33 0.665 5.338 6.098 1.00 0.00 N ATOM 442 CA THR A 33 1.668 4.405 6.584 1.00 0.00 C ATOM 443 C THR A 33 1.005 3.113 7.065 1.00 0.00 C ATOM 444 O THR A 33 1.690 2.151 7.409 1.00 0.00 O ATOM 445 CB THR A 33 2.484 5.111 7.668 1.00 0.00 C ATOM 446 OG1 THR A 33 3.047 6.238 7.002 1.00 0.00 O ATOM 447 CG2 THR A 33 3.700 4.294 8.111 1.00 0.00 C ATOM 0 H THR A 33 0.350 6.022 6.786 1.00 0.00 H new ATOM 0 HA THR A 33 2.350 4.106 5.788 1.00 0.00 H new ATOM 0 HB THR A 33 1.847 5.310 8.530 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.591 6.753 7.634 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.244 4.840 8.881 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.368 3.336 8.511 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.355 4.123 7.256 1.00 0.00 H new ATOM 455 N VAL A 34 -0.319 3.133 7.075 1.00 0.00 N ATOM 456 CA VAL A 34 -1.082 1.975 7.509 1.00 0.00 C ATOM 457 C VAL A 34 -1.230 0.999 6.339 1.00 0.00 C ATOM 458 O VAL A 34 -1.260 -0.214 6.538 1.00 0.00 O ATOM 459 CB VAL A 34 -2.426 2.420 8.089 1.00 0.00 C ATOM 460 CG1 VAL A 34 -3.397 1.242 8.191 1.00 0.00 C ATOM 461 CG2 VAL A 34 -2.238 3.096 9.449 1.00 0.00 C ATOM 0 H VAL A 34 -0.884 3.933 6.789 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.557 1.450 8.307 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.860 3.152 7.408 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.344 1.586 8.606 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.566 0.823 7.199 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.973 0.476 8.841 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.208 3.403 9.840 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.773 2.395 10.142 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.599 3.972 9.335 1.00 0.00 H new ATOM 471 N CYS A 35 -1.319 1.567 5.145 1.00 0.00 N ATOM 472 CA CYS A 35 -1.463 0.763 3.943 1.00 0.00 C ATOM 473 C CYS A 35 -0.217 -0.114 3.799 1.00 0.00 C ATOM 474 O CYS A 35 -0.242 -1.123 3.096 1.00 0.00 O ATOM 475 CB CYS A 35 -1.696 1.632 2.706 1.00 0.00 C ATOM 476 SG CYS A 35 -0.371 1.545 1.447 1.00 0.00 S ATOM 0 H CYS A 35 -1.294 2.574 4.984 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.344 0.128 4.031 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.638 1.336 2.243 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.809 2.669 3.023 1.00 0.00 H new ATOM 481 N CYS A 36 0.842 0.304 4.476 1.00 0.00 N ATOM 482 CA CYS A 36 2.095 -0.430 4.432 1.00 0.00 C ATOM 483 C CYS A 36 1.816 -1.882 4.825 1.00 0.00 C ATOM 484 O CYS A 36 1.763 -2.762 3.967 1.00 0.00 O ATOM 485 CB CYS A 36 3.157 0.209 5.329 1.00 0.00 C ATOM 486 SG CYS A 36 3.487 1.977 4.989 1.00 0.00 S ATOM 0 H CYS A 36 0.858 1.141 5.058 1.00 0.00 H new ATOM 0 HA CYS A 36 2.501 -0.400 3.421 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.845 0.106 6.368 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.088 -0.347 5.219 1.00 0.00 H new ATOM 0 HG CYS A 36 4.659 2.102 4.440 1.00 0.00 H new ATOM 491 N GLY A 37 1.644 -2.088 6.122 1.00 0.00 N ATOM 492 CA GLY A 37 1.370 -3.418 6.639 1.00 0.00 C ATOM 493 C GLY A 37 -0.125 -3.735 6.576 1.00 0.00 C ATOM 494 O GLY A 37 -0.698 -4.237 7.541 1.00 0.00 O ATOM 0 H GLY A 37 1.689 -1.356 6.831 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.926 -4.157 6.063 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.717 -3.490 7.670 1.00 0.00 H new ATOM 498 N GLN A 38 -0.714 -3.428 5.429 1.00 0.00 N ATOM 499 CA GLN A 38 -2.132 -3.673 5.228 1.00 0.00 C ATOM 500 C GLN A 38 -2.343 -4.625 4.049 1.00 0.00 C ATOM 501 O GLN A 38 -3.252 -5.454 4.071 1.00 0.00 O ATOM 502 CB GLN A 38 -2.891 -2.362 5.016 1.00 0.00 C ATOM 503 CG GLN A 38 -4.211 -2.361 5.789 1.00 0.00 C ATOM 504 CD GLN A 38 -3.965 -2.250 7.295 1.00 0.00 C ATOM 505 OE1 GLN A 38 -3.306 -3.076 7.905 1.00 0.00 O ATOM 506 NE2 GLN A 38 -4.530 -1.186 7.858 1.00 0.00 N ATOM 0 H GLN A 38 -0.235 -3.012 4.630 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.531 -4.143 6.127 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.274 -1.524 5.341 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.088 -2.219 3.953 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.831 -1.529 5.456 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.763 -3.276 5.574 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.069 -0.534 7.289 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.424 -1.022 8.859 1.00 0.00 H new ATOM 515 N CYS A 39 -1.489 -4.475 3.047 1.00 0.00 N ATOM 516 CA CYS A 39 -1.571 -5.311 1.862 1.00 0.00 C ATOM 517 C CYS A 39 -0.178 -5.879 1.578 1.00 0.00 C ATOM 518 O CYS A 39 -0.037 -7.062 1.274 1.00 0.00 O ATOM 519 CB CYS A 39 -2.129 -4.541 0.664 1.00 0.00 C ATOM 520 SG CYS A 39 -3.839 -3.927 0.875 1.00 0.00 S ATOM 0 H CYS A 39 -0.737 -3.786 3.032 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.267 -6.131 2.039 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.476 -3.693 0.459 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.096 -5.188 -0.213 1.00 0.00 H new ATOM 525 N PHE A 40 0.814 -5.008 1.686 1.00 0.00 N ATOM 526 CA PHE A 40 2.190 -5.407 1.444 1.00 0.00 C ATOM 527 C PHE A 40 2.995 -5.417 2.745 1.00 0.00 C ATOM 528 O PHE A 40 2.484 -5.040 3.798 1.00 0.00 O ATOM 529 CB PHE A 40 2.795 -4.374 0.491 1.00 0.00 C ATOM 530 CG PHE A 40 1.782 -3.739 -0.463 1.00 0.00 C ATOM 531 CD1 PHE A 40 1.045 -2.670 -0.059 1.00 0.00 C ATOM 532 CD2 PHE A 40 1.618 -4.243 -1.715 1.00 0.00 C ATOM 533 CE1 PHE A 40 0.104 -2.080 -0.944 1.00 0.00 C ATOM 534 CE2 PHE A 40 0.678 -3.654 -2.601 1.00 0.00 C ATOM 535 CZ PHE A 40 -0.059 -2.584 -2.197 1.00 0.00 C ATOM 0 H PHE A 40 0.692 -4.027 1.938 1.00 0.00 H new ATOM 0 HA PHE A 40 2.217 -6.412 1.024 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.269 -3.587 1.078 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.580 -4.851 -0.095 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.175 -2.269 0.935 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.203 -5.092 -2.036 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.482 -1.232 -0.622 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.548 -4.055 -3.595 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.773 -2.135 -2.871 1.00 0.00 H new ATOM 545 N SER A 41 4.241 -5.852 2.629 1.00 0.00 N ATOM 546 CA SER A 41 5.122 -5.916 3.783 1.00 0.00 C ATOM 547 C SER A 41 6.528 -5.454 3.395 1.00 0.00 C ATOM 548 O SER A 41 6.884 -5.461 2.218 1.00 0.00 O ATOM 549 CB SER A 41 5.169 -7.331 4.362 1.00 0.00 C ATOM 550 OG SER A 41 4.965 -8.325 3.361 1.00 0.00 O ATOM 0 H SER A 41 4.662 -6.164 1.754 1.00 0.00 H new ATOM 0 HA SER A 41 4.728 -5.251 4.551 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.133 -7.494 4.843 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.406 -7.432 5.134 1.00 0.00 H new ATOM 0 HG SER A 41 5.004 -9.214 3.771 1.00 0.00 H new ATOM 556 N PHE A 42 7.288 -5.062 4.407 1.00 0.00 N ATOM 557 CA PHE A 42 8.647 -4.598 4.186 1.00 0.00 C ATOM 558 C PHE A 42 9.460 -5.633 3.407 1.00 0.00 C ATOM 559 O PHE A 42 9.163 -6.826 3.455 1.00 0.00 O ATOM 560 CB PHE A 42 9.281 -4.400 5.564 1.00 0.00 C ATOM 561 CG PHE A 42 9.889 -3.012 5.776 1.00 0.00 C ATOM 562 CD1 PHE A 42 9.081 -1.944 6.010 1.00 0.00 C ATOM 563 CD2 PHE A 42 11.238 -2.846 5.729 1.00 0.00 C ATOM 564 CE1 PHE A 42 9.645 -0.656 6.207 1.00 0.00 C ATOM 565 CE2 PHE A 42 11.802 -1.558 5.925 1.00 0.00 C ATOM 566 CZ PHE A 42 10.994 -0.490 6.160 1.00 0.00 C ATOM 0 H PHE A 42 6.988 -5.056 5.382 1.00 0.00 H new ATOM 0 HA PHE A 42 8.636 -3.675 3.607 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.525 -4.575 6.329 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.058 -5.151 5.706 1.00 0.00 H new ATOM 0 HD1 PHE A 42 8.010 -2.075 6.046 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.880 -3.694 5.543 1.00 0.00 H new ATOM 0 HE1 PHE A 42 9.003 0.192 6.394 1.00 0.00 H new ATOM 0 HE2 PHE A 42 12.873 -1.426 5.887 1.00 0.00 H new ATOM 0 HZ PHE A 42 11.423 0.490 6.309 1.00 0.00 H new ATOM 576 N PRO A 43 10.499 -5.127 2.689 1.00 0.00 N ATOM 577 CA PRO A 43 10.782 -3.702 2.688 1.00 0.00 C ATOM 578 C PRO A 43 9.771 -2.942 1.826 1.00 0.00 C ATOM 579 O PRO A 43 9.915 -1.740 1.609 1.00 0.00 O ATOM 580 CB PRO A 43 12.208 -3.585 2.172 1.00 0.00 C ATOM 581 CG PRO A 43 12.505 -4.899 1.469 1.00 0.00 C ATOM 582 CD PRO A 43 11.426 -5.894 1.864 1.00 0.00 C ATOM 0 HA PRO A 43 10.692 -3.255 3.678 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.307 -2.744 1.486 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.907 -3.413 2.991 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.518 -4.759 0.388 1.00 0.00 H new ATOM 0 HG3 PRO A 43 13.489 -5.270 1.754 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.927 -6.306 0.987 1.00 0.00 H new ATOM 0 HD3 PRO A 43 11.846 -6.735 2.417 1.00 0.00 H new ATOM 590 N VAL A 44 8.771 -3.675 1.360 1.00 0.00 N ATOM 591 CA VAL A 44 7.736 -3.086 0.527 1.00 0.00 C ATOM 592 C VAL A 44 6.870 -2.156 1.379 1.00 0.00 C ATOM 593 O VAL A 44 6.448 -1.097 0.916 1.00 0.00 O ATOM 594 CB VAL A 44 6.930 -4.187 -0.164 1.00 0.00 C ATOM 595 CG1 VAL A 44 6.246 -3.657 -1.426 1.00 0.00 C ATOM 596 CG2 VAL A 44 7.814 -5.394 -0.485 1.00 0.00 C ATOM 0 H VAL A 44 8.655 -4.672 1.543 1.00 0.00 H new ATOM 0 HA VAL A 44 8.180 -2.482 -0.264 1.00 0.00 H new ATOM 0 HB VAL A 44 6.152 -4.515 0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.680 -4.460 -1.898 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.570 -2.845 -1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.000 -3.288 -2.121 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.217 -6.162 -0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.624 -5.086 -1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.232 -5.794 0.438 1.00 0.00 H new ATOM 606 N SER A 45 6.632 -2.585 2.610 1.00 0.00 N ATOM 607 CA SER A 45 5.823 -1.804 3.531 1.00 0.00 C ATOM 608 C SER A 45 6.362 -0.374 3.617 1.00 0.00 C ATOM 609 O SER A 45 5.655 0.535 4.048 1.00 0.00 O ATOM 610 CB SER A 45 5.796 -2.445 4.920 1.00 0.00 C ATOM 611 OG SER A 45 5.717 -1.471 5.956 1.00 0.00 O ATOM 0 H SER A 45 6.985 -3.463 2.991 1.00 0.00 H new ATOM 0 HA SER A 45 4.801 -1.779 3.152 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.943 -3.120 4.991 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.693 -3.049 5.058 1.00 0.00 H new ATOM 0 HG SER A 45 5.701 -1.920 6.827 1.00 0.00 H new ATOM 617 N GLN A 46 7.611 -0.220 3.201 1.00 0.00 N ATOM 618 CA GLN A 46 8.253 1.083 3.226 1.00 0.00 C ATOM 619 C GLN A 46 7.955 1.846 1.934 1.00 0.00 C ATOM 620 O GLN A 46 8.007 3.075 1.908 1.00 0.00 O ATOM 621 CB GLN A 46 9.760 0.947 3.448 1.00 0.00 C ATOM 622 CG GLN A 46 10.317 2.164 4.191 1.00 0.00 C ATOM 623 CD GLN A 46 11.603 2.667 3.533 1.00 0.00 C ATOM 624 OE1 GLN A 46 12.404 1.907 3.014 1.00 0.00 O ATOM 625 NE2 GLN A 46 11.755 3.987 3.583 1.00 0.00 N ATOM 0 H GLN A 46 8.195 -0.976 2.845 1.00 0.00 H new ATOM 0 HA GLN A 46 7.846 1.651 4.062 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.967 0.042 4.019 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.265 0.840 2.488 1.00 0.00 H new ATOM 0 HG2 GLN A 46 9.573 2.961 4.200 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.515 1.901 5.230 1.00 0.00 H new ATOM 0 HE21 GLN A 46 11.046 4.565 4.033 1.00 0.00 H new ATOM 0 HE22 GLN A 46 12.581 4.421 3.171 1.00 0.00 H new ATOM 634 N SER A 47 7.650 1.086 0.892 1.00 0.00 N ATOM 635 CA SER A 47 7.344 1.675 -0.400 1.00 0.00 C ATOM 636 C SER A 47 5.939 2.279 -0.381 1.00 0.00 C ATOM 637 O SER A 47 5.705 3.336 -0.966 1.00 0.00 O ATOM 638 CB SER A 47 7.461 0.639 -1.520 1.00 0.00 C ATOM 639 OG SER A 47 8.674 -0.104 -1.435 1.00 0.00 O ATOM 0 H SER A 47 7.608 0.067 0.917 1.00 0.00 H new ATOM 0 HA SER A 47 8.069 2.465 -0.595 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.613 -0.044 -1.472 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.411 1.142 -2.486 1.00 0.00 H new ATOM 0 HG SER A 47 8.710 -0.756 -2.166 1.00 0.00 H new ATOM 645 N CYS A 48 5.039 1.583 0.298 1.00 0.00 N ATOM 646 CA CYS A 48 3.663 2.037 0.402 1.00 0.00 C ATOM 647 C CYS A 48 3.670 3.475 0.927 1.00 0.00 C ATOM 648 O CYS A 48 3.241 4.395 0.232 1.00 0.00 O ATOM 649 CB CYS A 48 2.826 1.111 1.287 1.00 0.00 C ATOM 650 SG CYS A 48 1.420 1.921 2.132 1.00 0.00 S ATOM 0 H CYS A 48 5.236 0.707 0.782 1.00 0.00 H new ATOM 0 HA CYS A 48 3.194 2.012 -0.582 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.442 0.295 0.674 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.476 0.666 2.040 1.00 0.00 H new ATOM 655 N ALA A 49 4.162 3.622 2.148 1.00 0.00 N ATOM 656 CA ALA A 49 4.230 4.932 2.774 1.00 0.00 C ATOM 657 C ALA A 49 5.114 5.851 1.928 1.00 0.00 C ATOM 658 O ALA A 49 5.095 7.069 2.102 1.00 0.00 O ATOM 659 CB ALA A 49 4.744 4.787 4.207 1.00 0.00 C ATOM 0 H ALA A 49 4.517 2.856 2.721 1.00 0.00 H new ATOM 0 HA ALA A 49 3.240 5.384 2.827 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.795 5.769 4.676 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.066 4.149 4.774 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.738 4.339 4.194 1.00 0.00 H new ATOM 665 N GLY A 50 5.866 5.233 1.029 1.00 0.00 N ATOM 666 CA GLY A 50 6.755 5.980 0.156 1.00 0.00 C ATOM 667 C GLY A 50 5.995 6.543 -1.047 1.00 0.00 C ATOM 668 O GLY A 50 6.052 7.742 -1.316 1.00 0.00 O ATOM 0 H GLY A 50 5.878 4.223 0.886 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.217 6.795 0.713 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.561 5.332 -0.189 1.00 0.00 H new ATOM 672 N MET A 51 5.302 5.651 -1.739 1.00 0.00 N ATOM 673 CA MET A 51 4.532 6.044 -2.907 1.00 0.00 C ATOM 674 C MET A 51 3.142 6.542 -2.505 1.00 0.00 C ATOM 675 O MET A 51 2.263 6.690 -3.353 1.00 0.00 O ATOM 676 CB MET A 51 4.393 4.850 -3.853 1.00 0.00 C ATOM 677 CG MET A 51 3.888 5.294 -5.227 1.00 0.00 C ATOM 678 SD MET A 51 5.244 5.347 -6.387 1.00 0.00 S ATOM 679 CE MET A 51 5.160 7.060 -6.884 1.00 0.00 C ATOM 0 H MET A 51 5.258 4.657 -1.513 1.00 0.00 H new ATOM 0 HA MET A 51 5.058 6.857 -3.409 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.357 4.352 -3.959 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.703 4.122 -3.426 1.00 0.00 H new ATOM 0 HG2 MET A 51 3.121 4.605 -5.582 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.423 6.277 -5.153 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.944 7.266 -7.613 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.187 7.262 -7.331 1.00 0.00 H new ATOM 0 HE3 MET A 51 5.298 7.699 -6.012 1.00 0.00 H new ATOM 689 N ALA A 52 2.986 6.787 -1.212 1.00 0.00 N ATOM 690 CA ALA A 52 1.718 7.264 -0.688 1.00 0.00 C ATOM 691 C ALA A 52 1.713 8.794 -0.695 1.00 0.00 C ATOM 692 O ALA A 52 1.143 9.420 0.198 1.00 0.00 O ATOM 693 CB ALA A 52 1.493 6.686 0.710 1.00 0.00 C ATOM 0 H ALA A 52 3.717 6.664 -0.512 1.00 0.00 H new ATOM 0 HA ALA A 52 0.892 6.928 -1.315 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.541 7.044 1.103 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.476 5.597 0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.301 7.004 1.369 1.00 0.00 H new ATOM 699 N ASP A 53 2.354 9.353 -1.711 1.00 0.00 N ATOM 700 CA ASP A 53 2.430 10.797 -1.845 1.00 0.00 C ATOM 701 C ASP A 53 3.064 11.390 -0.584 1.00 0.00 C ATOM 702 O ASP A 53 3.113 10.736 0.456 1.00 0.00 O ATOM 703 CB ASP A 53 1.038 11.410 -2.006 1.00 0.00 C ATOM 704 CG ASP A 53 0.721 11.934 -3.408 1.00 0.00 C ATOM 705 OD1 ASP A 53 1.689 12.123 -4.176 1.00 0.00 O ATOM 706 OD2 ASP A 53 -0.483 12.135 -3.680 1.00 0.00 O ATOM 0 H ASP A 53 2.826 8.831 -2.450 1.00 0.00 H new ATOM 0 HA ASP A 53 3.028 11.022 -2.728 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.294 10.660 -1.738 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.934 12.230 -1.296 1.00 0.00 H new ATOM 711 N SER A 54 3.533 12.621 -0.719 1.00 0.00 N ATOM 712 CA SER A 54 4.162 13.309 0.396 1.00 0.00 C ATOM 713 C SER A 54 3.147 14.222 1.086 1.00 0.00 C ATOM 714 O SER A 54 2.616 13.880 2.141 1.00 0.00 O ATOM 715 CB SER A 54 5.375 14.118 -0.069 1.00 0.00 C ATOM 716 OG SER A 54 6.603 13.504 0.310 1.00 0.00 O ATOM 0 H SER A 54 3.490 13.160 -1.584 1.00 0.00 H new ATOM 0 HA SER A 54 4.511 12.561 1.108 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.344 14.227 -1.153 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.326 15.121 0.354 1.00 0.00 H new ATOM 0 HG SER A 54 7.353 14.050 -0.007 1.00 0.00 H new ATOM 722 N ASN A 55 2.909 15.367 0.462 1.00 0.00 N ATOM 723 CA ASN A 55 1.967 16.332 1.004 1.00 0.00 C ATOM 724 C ASN A 55 0.786 16.479 0.043 1.00 0.00 C ATOM 725 O ASN A 55 -0.199 17.144 0.361 1.00 0.00 O ATOM 726 CB ASN A 55 2.619 17.707 1.165 1.00 0.00 C ATOM 727 CG ASN A 55 2.215 18.353 2.492 1.00 0.00 C ATOM 728 OD1 ASN A 55 1.049 18.580 2.771 1.00 0.00 O ATOM 729 ND2 ASN A 55 3.240 18.636 3.291 1.00 0.00 N ATOM 0 H ASN A 55 3.352 15.648 -0.413 1.00 0.00 H new ATOM 0 HA ASN A 55 1.638 15.972 1.979 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.703 17.607 1.120 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.324 18.352 0.338 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.074 19.070 4.199 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.192 18.419 2.996 1.00 0.00 H new ATOM 736 N ASP A 56 0.922 15.848 -1.114 1.00 0.00 N ATOM 737 CA ASP A 56 -0.122 15.900 -2.123 1.00 0.00 C ATOM 738 C ASP A 56 -1.288 15.010 -1.691 1.00 0.00 C ATOM 739 O ASP A 56 -2.392 15.125 -2.222 1.00 0.00 O ATOM 740 CB ASP A 56 0.389 15.388 -3.471 1.00 0.00 C ATOM 741 CG ASP A 56 -0.061 16.203 -4.685 1.00 0.00 C ATOM 742 OD1 ASP A 56 -0.083 17.446 -4.558 1.00 0.00 O ATOM 743 OD2 ASP A 56 -0.374 15.564 -5.713 1.00 0.00 O ATOM 0 H ASP A 56 1.740 15.298 -1.375 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.438 16.938 -2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.479 15.372 -3.447 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.057 14.358 -3.601 1.00 0.00 H new ATOM 748 N CYS A 57 -1.004 14.143 -0.730 1.00 0.00 N ATOM 749 CA CYS A 57 -2.017 13.233 -0.220 1.00 0.00 C ATOM 750 C CYS A 57 -2.844 13.976 0.831 1.00 0.00 C ATOM 751 O CYS A 57 -2.354 14.909 1.466 1.00 0.00 O ATOM 752 CB CYS A 57 -1.395 11.953 0.343 1.00 0.00 C ATOM 753 SG CYS A 57 -1.952 10.410 -0.468 1.00 0.00 S ATOM 0 H CYS A 57 -0.088 14.051 -0.291 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.668 12.915 -1.034 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.311 12.023 0.254 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.625 11.891 1.407 1.00 0.00 H new ATOM 758 N PRO A 58 -4.117 13.523 0.986 1.00 0.00 N ATOM 759 CA PRO A 58 -5.016 14.134 1.950 1.00 0.00 C ATOM 760 C PRO A 58 -4.657 13.716 3.377 1.00 0.00 C ATOM 761 O PRO A 58 -5.497 13.189 4.104 1.00 0.00 O ATOM 762 CB PRO A 58 -6.406 13.683 1.531 1.00 0.00 C ATOM 763 CG PRO A 58 -6.199 12.469 0.639 1.00 0.00 C ATOM 764 CD PRO A 58 -4.730 12.421 0.252 1.00 0.00 C ATOM 0 HA PRO A 58 -4.949 15.222 1.957 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.013 13.430 2.400 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.929 14.476 0.996 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.486 11.557 1.163 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.826 12.537 -0.250 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.280 11.466 0.523 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.600 12.541 -0.824 1.00 0.00 H new ATOM 772 N ASN A 59 -3.407 13.969 3.736 1.00 0.00 N ATOM 773 CA ASN A 59 -2.926 13.626 5.064 1.00 0.00 C ATOM 774 C ASN A 59 -3.036 14.851 5.974 1.00 0.00 C ATOM 775 O ASN A 59 -3.185 15.974 5.494 1.00 0.00 O ATOM 776 CB ASN A 59 -1.458 13.198 5.024 1.00 0.00 C ATOM 777 CG ASN A 59 -1.272 11.957 4.149 1.00 0.00 C ATOM 778 OD1 ASN A 59 -2.219 11.361 3.663 1.00 0.00 O ATOM 779 ND2 ASN A 59 -0.002 11.602 3.975 1.00 0.00 N ATOM 0 H ASN A 59 -2.713 14.407 3.131 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.532 12.802 5.440 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.848 14.014 4.638 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.109 12.990 6.035 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.226 10.787 3.406 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.744 12.145 4.410 1.00 0.00 H new ATOM 786 N ALA A 60 -2.959 14.594 7.271 1.00 0.00 N ATOM 787 CA ALA A 60 -3.049 15.661 8.253 1.00 0.00 C ATOM 788 C ALA A 60 -2.806 15.086 9.650 1.00 0.00 C ATOM 789 O ALA A 60 -3.753 14.766 10.366 1.00 0.00 O ATOM 790 CB ALA A 60 -4.409 16.351 8.134 1.00 0.00 C ATOM 0 H ALA A 60 -2.835 13.661 7.665 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.284 16.416 8.071 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.477 17.151 8.871 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.519 16.769 7.133 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.202 15.625 8.313 1.00 0.00 H new TER 796 ALA A 60