USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 574 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 31 THR OG1 : rot -140:sc= 0.0832 USER MOD Set 1.2: A 37 GLN : amide:sc= -6.57! C(o=-6.5!,f=-10!) USER MOD Single : A 1 LYS N :NH3+ -136:sc= -1.96! (180deg=-5.02!) USER MOD Single : A 1 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0204) USER MOD Single : A 4 SER OG : rot -21:sc= 0.769 USER MOD Single : A 6 SER OG : rot 48:sc= 0.994 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -1.36 K(o=-1.4,f=-11!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HE2:sc= -4.33! C(o=-4.3!,f=-5.2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0164 K(o=-0.016,f=-0.59) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 43 LYS NZ :NH3+ 156:sc= -0.0341 (180deg=-0.25) USER MOD Single : A 44 ASN : amide:sc= -0.0269 X(o=-0.027,f=-0.23) USER MOD Single : A 45 ASN : amide:sc= -4.38 K(o=-4.4,f=-13!) USER MOD Single : A 46 ASN :FLIP amide:sc= 0.942 F(o=-0.32,f=0.94) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.445 X(o=-0.45,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -1.59 K(o=-1.6,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -21.187 -14.625 -13.659 1.00 0.00 N ATOM 2 CA LYS A 1 -21.439 -13.692 -12.516 1.00 0.00 C ATOM 3 C LYS A 1 -21.630 -14.487 -11.214 1.00 0.00 C ATOM 4 O LYS A 1 -20.971 -14.203 -10.214 1.00 0.00 O ATOM 5 CB LYS A 1 -22.692 -12.846 -12.797 1.00 0.00 C ATOM 6 CG LYS A 1 -22.404 -11.373 -12.494 1.00 0.00 C ATOM 7 CD LYS A 1 -21.968 -10.662 -13.777 1.00 0.00 C ATOM 8 CE LYS A 1 -21.826 -9.164 -13.509 1.00 0.00 C ATOM 9 NZ LYS A 1 -20.578 -8.913 -12.733 1.00 0.00 N ATOM 0 H1 LYS A 1 -20.409 -14.257 -14.243 1.00 0.00 H new ATOM 0 H2 LYS A 1 -20.929 -15.563 -13.291 1.00 0.00 H new ATOM 0 H3 LYS A 1 -22.047 -14.705 -14.238 1.00 0.00 H new ATOM 0 HA LYS A 1 -20.578 -13.033 -12.405 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -22.993 -12.960 -13.838 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -23.523 -13.197 -12.185 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -23.294 -10.894 -12.085 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -21.623 -11.293 -11.738 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -21.020 -11.071 -14.127 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -22.700 -10.833 -14.566 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -21.797 -8.616 -14.451 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -22.691 -8.799 -12.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -20.437 -7.888 -12.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -20.658 -9.353 -11.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -19.767 -9.322 -13.239 1.00 0.00 H new ATOM 25 N PRO A 2 -22.526 -15.490 -11.200 1.00 0.00 N ATOM 26 CA PRO A 2 -22.774 -16.306 -9.994 1.00 0.00 C ATOM 27 C PRO A 2 -21.748 -17.427 -9.824 1.00 0.00 C ATOM 28 O PRO A 2 -22.096 -18.607 -9.778 1.00 0.00 O ATOM 29 CB PRO A 2 -24.162 -16.878 -10.255 1.00 0.00 C ATOM 30 CG PRO A 2 -24.370 -16.875 -11.761 1.00 0.00 C ATOM 31 CD PRO A 2 -23.358 -15.897 -12.363 1.00 0.00 C ATOM 0 HA PRO A 2 -22.699 -15.724 -9.076 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -24.243 -17.889 -9.857 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -24.925 -16.278 -9.759 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -24.227 -17.875 -12.170 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -25.388 -16.573 -12.007 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -22.757 -16.370 -13.139 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -23.853 -15.040 -12.821 1.00 0.00 H new ATOM 39 N VAL A 3 -20.479 -17.040 -9.732 1.00 0.00 N ATOM 40 CA VAL A 3 -19.406 -18.018 -9.566 1.00 0.00 C ATOM 41 C VAL A 3 -18.330 -17.473 -8.636 1.00 0.00 C ATOM 42 O VAL A 3 -18.108 -17.993 -7.544 1.00 0.00 O ATOM 43 CB VAL A 3 -18.776 -18.360 -10.920 1.00 0.00 C ATOM 44 CG1 VAL A 3 -17.792 -19.520 -10.749 1.00 0.00 C ATOM 45 CG2 VAL A 3 -19.873 -18.768 -11.906 1.00 0.00 C ATOM 0 H VAL A 3 -20.170 -16.069 -9.769 1.00 0.00 H new ATOM 0 HA VAL A 3 -19.836 -18.920 -9.132 1.00 0.00 H new ATOM 0 HB VAL A 3 -18.247 -17.487 -11.303 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -17.344 -19.763 -11.713 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -17.009 -19.232 -10.047 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -18.321 -20.392 -10.365 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -19.424 -19.011 -12.869 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -20.402 -19.640 -11.521 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -20.575 -17.944 -12.031 1.00 0.00 H new ATOM 55 N SER A 4 -17.668 -16.417 -9.092 1.00 0.00 N ATOM 56 CA SER A 4 -16.603 -15.780 -8.311 1.00 0.00 C ATOM 57 C SER A 4 -15.531 -16.795 -7.915 1.00 0.00 C ATOM 58 O SER A 4 -15.676 -17.995 -8.147 1.00 0.00 O ATOM 59 CB SER A 4 -17.175 -15.129 -7.049 1.00 0.00 C ATOM 60 OG SER A 4 -17.422 -16.127 -6.065 1.00 0.00 O ATOM 0 H SER A 4 -17.846 -15.981 -9.997 1.00 0.00 H new ATOM 0 HA SER A 4 -16.149 -15.013 -8.938 1.00 0.00 H new ATOM 0 HB2 SER A 4 -16.476 -14.388 -6.662 1.00 0.00 H new ATOM 0 HB3 SER A 4 -18.099 -14.602 -7.287 1.00 0.00 H new ATOM 0 HG SER A 4 -17.493 -17.003 -6.498 1.00 0.00 H new ATOM 66 N LEU A 5 -14.454 -16.298 -7.314 1.00 0.00 N ATOM 67 CA LEU A 5 -13.361 -17.167 -6.887 1.00 0.00 C ATOM 68 C LEU A 5 -12.689 -16.603 -5.639 1.00 0.00 C ATOM 69 O LEU A 5 -12.976 -15.484 -5.214 1.00 0.00 O ATOM 70 CB LEU A 5 -12.318 -17.302 -7.998 1.00 0.00 C ATOM 71 CG LEU A 5 -11.872 -15.912 -8.455 1.00 0.00 C ATOM 72 CD1 LEU A 5 -10.441 -15.984 -8.991 1.00 0.00 C ATOM 73 CD2 LEU A 5 -12.805 -15.416 -9.561 1.00 0.00 C ATOM 0 H LEU A 5 -14.314 -15.308 -7.113 1.00 0.00 H new ATOM 0 HA LEU A 5 -13.779 -18.148 -6.663 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -11.460 -17.870 -7.638 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -12.737 -17.855 -8.839 1.00 0.00 H new ATOM 0 HG LEU A 5 -11.909 -15.224 -7.611 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.124 -14.993 -9.316 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.775 -16.338 -8.204 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -10.403 -16.673 -9.835 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -12.488 -14.425 -9.887 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -12.768 -16.105 -10.405 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -13.825 -15.363 -9.180 1.00 0.00 H new ATOM 85 N SER A 6 -11.791 -17.393 -5.056 1.00 0.00 N ATOM 86 CA SER A 6 -11.081 -16.965 -3.853 1.00 0.00 C ATOM 87 C SER A 6 -10.035 -15.908 -4.199 1.00 0.00 C ATOM 88 O SER A 6 -8.839 -16.191 -4.266 1.00 0.00 O ATOM 89 CB SER A 6 -10.392 -18.158 -3.187 1.00 0.00 C ATOM 90 OG SER A 6 -9.446 -18.718 -4.089 1.00 0.00 O ATOM 0 H SER A 6 -11.539 -18.323 -5.392 1.00 0.00 H new ATOM 0 HA SER A 6 -11.809 -16.538 -3.163 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.894 -17.840 -2.271 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.131 -18.908 -2.905 1.00 0.00 H new ATOM 0 HG SER A 6 -8.896 -18.003 -4.471 1.00 0.00 H new ATOM 96 N TYR A 7 -10.504 -14.682 -4.418 1.00 0.00 N ATOM 97 CA TYR A 7 -9.606 -13.581 -4.756 1.00 0.00 C ATOM 98 C TYR A 7 -10.279 -12.243 -4.468 1.00 0.00 C ATOM 99 O TYR A 7 -9.951 -11.560 -3.497 1.00 0.00 O ATOM 100 CB TYR A 7 -9.213 -13.645 -6.240 1.00 0.00 C ATOM 101 CG TYR A 7 -7.875 -14.332 -6.386 1.00 0.00 C ATOM 102 CD1 TYR A 7 -6.694 -13.619 -6.146 1.00 0.00 C ATOM 103 CD2 TYR A 7 -7.816 -15.678 -6.762 1.00 0.00 C ATOM 104 CE1 TYR A 7 -5.453 -14.254 -6.283 1.00 0.00 C ATOM 105 CE2 TYR A 7 -6.576 -16.314 -6.899 1.00 0.00 C ATOM 106 CZ TYR A 7 -5.394 -15.601 -6.659 1.00 0.00 C ATOM 107 OH TYR A 7 -4.172 -16.227 -6.795 1.00 0.00 O ATOM 0 H TYR A 7 -11.490 -14.427 -4.368 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.709 -13.673 -4.144 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -9.973 -14.186 -6.804 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.163 -12.639 -6.656 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -6.740 -12.580 -5.855 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -8.727 -16.227 -6.947 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -4.542 -13.704 -6.099 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.531 -17.353 -7.189 1.00 0.00 H new ATOM 0 HH TYR A 7 -4.310 -17.160 -7.060 1.00 0.00 H new ATOM 117 N ARG A 8 -11.225 -11.886 -5.325 1.00 0.00 N ATOM 118 CA ARG A 8 -11.958 -10.634 -5.179 1.00 0.00 C ATOM 119 C ARG A 8 -11.013 -9.434 -5.276 1.00 0.00 C ATOM 120 O ARG A 8 -10.877 -8.824 -6.336 1.00 0.00 O ATOM 121 CB ARG A 8 -12.713 -10.608 -3.846 1.00 0.00 C ATOM 122 CG ARG A 8 -13.861 -11.618 -3.888 1.00 0.00 C ATOM 123 CD ARG A 8 -14.048 -12.238 -2.502 1.00 0.00 C ATOM 124 NE ARG A 8 -15.432 -12.661 -2.310 1.00 0.00 N ATOM 125 CZ ARG A 8 -16.089 -12.371 -1.191 1.00 0.00 C ATOM 126 NH1 ARG A 8 -16.053 -11.159 -0.708 1.00 0.00 N ATOM 127 NH2 ARG A 8 -16.768 -13.298 -0.573 1.00 0.00 N ATOM 0 H ARG A 8 -11.504 -12.446 -6.131 1.00 0.00 H new ATOM 0 HA ARG A 8 -12.680 -10.568 -5.993 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -12.034 -10.847 -3.027 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -13.102 -9.608 -3.656 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -14.781 -11.126 -4.205 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -13.648 -12.397 -4.620 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -13.382 -13.093 -2.387 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -13.773 -11.515 -1.734 1.00 0.00 H new ATOM 0 HE ARG A 8 -15.903 -13.187 -3.046 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -15.521 -10.434 -1.189 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -16.557 -10.937 0.150 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -16.795 -14.246 -0.948 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -17.272 -13.075 0.285 1.00 0.00 H new ATOM 141 N CYS A 9 -10.363 -9.103 -4.166 1.00 0.00 N ATOM 142 CA CYS A 9 -9.434 -7.974 -4.148 1.00 0.00 C ATOM 143 C CYS A 9 -8.017 -8.447 -4.494 1.00 0.00 C ATOM 144 O CYS A 9 -7.703 -9.629 -4.353 1.00 0.00 O ATOM 145 CB CYS A 9 -9.409 -7.299 -2.769 1.00 0.00 C ATOM 146 SG CYS A 9 -11.097 -6.985 -2.173 1.00 0.00 S ATOM 0 H CYS A 9 -10.458 -9.592 -3.276 1.00 0.00 H new ATOM 0 HA CYS A 9 -9.777 -7.253 -4.890 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -8.880 -7.934 -2.058 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -8.859 -6.360 -2.829 1.00 0.00 H new ATOM 151 N PRO A 10 -7.141 -7.534 -4.945 1.00 0.00 N ATOM 152 CA PRO A 10 -5.751 -7.880 -5.301 1.00 0.00 C ATOM 153 C PRO A 10 -4.827 -7.901 -4.088 1.00 0.00 C ATOM 154 O PRO A 10 -3.992 -8.792 -3.938 1.00 0.00 O ATOM 155 CB PRO A 10 -5.363 -6.760 -6.257 1.00 0.00 C ATOM 156 CG PRO A 10 -6.260 -5.570 -5.939 1.00 0.00 C ATOM 157 CD PRO A 10 -7.454 -6.097 -5.137 1.00 0.00 C ATOM 0 HA PRO A 10 -5.666 -8.879 -5.728 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.313 -6.495 -6.134 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.493 -7.075 -7.292 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.714 -4.820 -5.366 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.597 -5.087 -6.856 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.556 -5.579 -4.184 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.391 -5.960 -5.677 1.00 0.00 H new ATOM 165 N CYS A 11 -4.991 -6.906 -3.222 1.00 0.00 N ATOM 166 CA CYS A 11 -4.172 -6.813 -2.017 1.00 0.00 C ATOM 167 C CYS A 11 -4.675 -7.788 -0.960 1.00 0.00 C ATOM 168 O CYS A 11 -5.860 -8.112 -0.900 1.00 0.00 O ATOM 169 CB CYS A 11 -4.211 -5.395 -1.443 1.00 0.00 C ATOM 170 SG CYS A 11 -2.954 -4.375 -2.256 1.00 0.00 S ATOM 0 H CYS A 11 -5.677 -6.159 -3.330 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.146 -7.062 -2.289 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.199 -4.959 -1.591 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.032 -5.422 -0.368 1.00 0.00 H new ATOM 175 N ARG A 12 -3.751 -8.247 -0.126 1.00 0.00 N ATOM 176 CA ARG A 12 -4.092 -9.191 0.942 1.00 0.00 C ATOM 177 C ARG A 12 -3.353 -8.837 2.231 1.00 0.00 C ATOM 178 O ARG A 12 -3.931 -8.861 3.318 1.00 0.00 O ATOM 179 CB ARG A 12 -3.762 -10.643 0.549 1.00 0.00 C ATOM 180 CG ARG A 12 -2.461 -10.712 -0.271 1.00 0.00 C ATOM 181 CD ARG A 12 -2.780 -11.087 -1.720 1.00 0.00 C ATOM 182 NE ARG A 12 -3.139 -12.499 -1.819 1.00 0.00 N ATOM 183 CZ ARG A 12 -2.204 -13.442 -1.870 1.00 0.00 C ATOM 184 NH1 ARG A 12 -1.349 -13.461 -2.855 1.00 0.00 N ATOM 185 NH2 ARG A 12 -2.141 -14.349 -0.933 1.00 0.00 N ATOM 0 H ARG A 12 -2.766 -7.986 -0.164 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.167 -9.114 1.104 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.662 -11.253 1.447 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.584 -11.062 -0.031 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.949 -9.750 -0.239 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.785 -11.448 0.164 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.600 -10.471 -2.088 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.917 -10.880 -2.353 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.123 -12.766 -1.849 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.398 -12.752 -3.587 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.632 -14.185 -2.894 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.809 -14.334 -0.162 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.424 -15.073 -0.972 1.00 0.00 H new ATOM 199 N PHE A 13 -2.074 -8.501 2.099 1.00 0.00 N ATOM 200 CA PHE A 13 -1.267 -8.133 3.259 1.00 0.00 C ATOM 201 C PHE A 13 -0.622 -6.773 3.025 1.00 0.00 C ATOM 202 O PHE A 13 -0.124 -6.487 1.936 1.00 0.00 O ATOM 203 CB PHE A 13 -0.175 -9.173 3.510 1.00 0.00 C ATOM 204 CG PHE A 13 -0.801 -10.541 3.632 1.00 0.00 C ATOM 205 CD1 PHE A 13 -1.329 -10.962 4.859 1.00 0.00 C ATOM 206 CD2 PHE A 13 -0.855 -11.388 2.519 1.00 0.00 C ATOM 207 CE1 PHE A 13 -1.910 -12.230 4.971 1.00 0.00 C ATOM 208 CE2 PHE A 13 -1.436 -12.657 2.632 1.00 0.00 C ATOM 209 CZ PHE A 13 -1.964 -13.078 3.858 1.00 0.00 C ATOM 0 H PHE A 13 -1.576 -8.476 1.209 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.918 -8.089 4.132 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.546 -9.163 2.693 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.372 -8.929 4.421 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.288 -10.309 5.718 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.448 -11.063 1.573 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.317 -12.555 5.917 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.477 -13.311 1.773 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.413 -14.056 3.946 1.00 0.00 H new ATOM 219 N PHE A 14 -0.644 -5.931 4.053 1.00 0.00 N ATOM 220 CA PHE A 14 -0.066 -4.596 3.935 1.00 0.00 C ATOM 221 C PHE A 14 1.208 -4.472 4.757 1.00 0.00 C ATOM 222 O PHE A 14 1.246 -4.834 5.932 1.00 0.00 O ATOM 223 CB PHE A 14 -1.059 -3.538 4.412 1.00 0.00 C ATOM 224 CG PHE A 14 -2.049 -3.252 3.315 1.00 0.00 C ATOM 225 CD1 PHE A 14 -2.891 -4.264 2.842 1.00 0.00 C ATOM 226 CD2 PHE A 14 -2.121 -1.971 2.768 1.00 0.00 C ATOM 227 CE1 PHE A 14 -3.806 -3.991 1.819 1.00 0.00 C ATOM 228 CE2 PHE A 14 -3.032 -1.694 1.747 1.00 0.00 C ATOM 229 CZ PHE A 14 -3.876 -2.705 1.270 1.00 0.00 C ATOM 0 H PHE A 14 -1.049 -6.144 4.965 1.00 0.00 H new ATOM 0 HA PHE A 14 0.169 -4.438 2.883 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.579 -3.887 5.304 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.531 -2.625 4.687 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.835 -5.256 3.266 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.470 -1.191 3.135 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.457 -4.771 1.454 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.086 -0.701 1.325 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.580 -2.493 0.479 1.00 0.00 H new ATOM 239 N GLU A 15 2.248 -3.944 4.123 1.00 0.00 N ATOM 240 CA GLU A 15 3.526 -3.760 4.804 1.00 0.00 C ATOM 241 C GLU A 15 3.698 -2.297 5.217 1.00 0.00 C ATOM 242 O GLU A 15 4.451 -1.545 4.597 1.00 0.00 O ATOM 243 CB GLU A 15 4.684 -4.167 3.889 1.00 0.00 C ATOM 244 CG GLU A 15 5.933 -4.431 4.732 1.00 0.00 C ATOM 245 CD GLU A 15 7.085 -4.837 3.820 1.00 0.00 C ATOM 246 OE1 GLU A 15 6.930 -5.810 3.101 1.00 0.00 O ATOM 247 OE2 GLU A 15 8.106 -4.169 3.854 1.00 0.00 O ATOM 0 H GLU A 15 2.234 -3.639 3.150 1.00 0.00 H new ATOM 0 HA GLU A 15 3.533 -4.391 5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.418 -5.061 3.324 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.882 -3.378 3.163 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.199 -3.537 5.296 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.735 -5.219 5.458 1.00 0.00 H new ATOM 254 N SER A 16 2.992 -1.900 6.277 1.00 0.00 N ATOM 255 CA SER A 16 3.079 -0.522 6.767 1.00 0.00 C ATOM 256 C SER A 16 4.517 -0.187 7.162 1.00 0.00 C ATOM 257 O SER A 16 4.940 0.966 7.093 1.00 0.00 O ATOM 258 CB SER A 16 2.161 -0.311 7.975 1.00 0.00 C ATOM 259 OG SER A 16 2.485 0.922 8.607 1.00 0.00 O ATOM 0 H SER A 16 2.362 -2.503 6.807 1.00 0.00 H new ATOM 0 HA SER A 16 2.760 0.138 5.961 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.119 -0.306 7.657 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.275 -1.134 8.680 1.00 0.00 H new ATOM 0 HG SER A 16 1.897 1.058 9.379 1.00 0.00 H new ATOM 265 N HIS A 17 5.270 -1.211 7.568 1.00 0.00 N ATOM 266 CA HIS A 17 6.668 -1.014 7.961 1.00 0.00 C ATOM 267 C HIS A 17 7.461 -0.339 6.839 1.00 0.00 C ATOM 268 O HIS A 17 8.490 0.291 7.083 1.00 0.00 O ATOM 269 CB HIS A 17 7.322 -2.357 8.291 1.00 0.00 C ATOM 270 CG HIS A 17 7.059 -2.702 9.731 1.00 0.00 C ATOM 271 ND1 HIS A 17 8.012 -3.311 10.531 1.00 0.00 N ATOM 272 CD2 HIS A 17 5.954 -2.531 10.529 1.00 0.00 C ATOM 273 CE1 HIS A 17 7.468 -3.482 11.751 1.00 0.00 C ATOM 274 NE2 HIS A 17 6.215 -3.024 11.803 1.00 0.00 N ATOM 0 H HIS A 17 4.941 -2.174 7.633 1.00 0.00 H new ATOM 0 HA HIS A 17 6.677 -0.373 8.842 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.925 -3.137 7.641 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.395 -2.306 8.108 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.024 -2.082 10.215 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.983 -3.935 12.586 1.00 0.00 H new ATOM 0 HE2 HIS A 17 5.585 -3.034 12.605 1.00 0.00 H new ATOM 282 N VAL A 18 6.968 -0.474 5.604 1.00 0.00 N ATOM 283 CA VAL A 18 7.623 0.125 4.447 1.00 0.00 C ATOM 284 C VAL A 18 7.817 1.628 4.653 1.00 0.00 C ATOM 285 O VAL A 18 7.139 2.259 5.464 1.00 0.00 O ATOM 286 CB VAL A 18 6.773 -0.117 3.188 1.00 0.00 C ATOM 287 CG1 VAL A 18 7.421 0.542 1.966 1.00 0.00 C ATOM 288 CG2 VAL A 18 6.655 -1.623 2.941 1.00 0.00 C ATOM 0 H VAL A 18 6.118 -0.993 5.384 1.00 0.00 H new ATOM 0 HA VAL A 18 8.602 -0.339 4.324 1.00 0.00 H new ATOM 0 HB VAL A 18 5.786 0.319 3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.805 0.360 1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.506 1.616 2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.414 0.120 1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.053 -1.799 2.049 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.649 -2.047 2.798 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.179 -2.096 3.800 1.00 0.00 H new ATOM 298 N ALA A 19 8.752 2.180 3.894 1.00 0.00 N ATOM 299 CA ALA A 19 9.049 3.604 3.968 1.00 0.00 C ATOM 300 C ALA A 19 9.457 4.119 2.593 1.00 0.00 C ATOM 301 O ALA A 19 10.209 3.468 1.870 1.00 0.00 O ATOM 302 CB ALA A 19 10.180 3.868 4.961 1.00 0.00 C ATOM 0 H ALA A 19 9.318 1.665 3.220 1.00 0.00 H new ATOM 0 HA ALA A 19 8.153 4.124 4.306 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.386 4.938 5.001 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.885 3.518 5.950 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.077 3.337 4.641 1.00 0.00 H new ATOM 308 N ARG A 20 8.938 5.297 2.241 1.00 0.00 N ATOM 309 CA ARG A 20 9.220 5.928 0.939 1.00 0.00 C ATOM 310 C ARG A 20 10.689 5.788 0.524 1.00 0.00 C ATOM 311 O ARG A 20 11.006 5.735 -0.665 1.00 0.00 O ATOM 312 CB ARG A 20 8.865 7.410 0.992 1.00 0.00 C ATOM 313 CG ARG A 20 8.440 7.884 -0.400 1.00 0.00 C ATOM 314 CD ARG A 20 7.768 9.255 -0.289 1.00 0.00 C ATOM 315 NE ARG A 20 8.744 10.324 -0.480 1.00 0.00 N ATOM 316 CZ ARG A 20 8.489 11.346 -1.293 1.00 0.00 C ATOM 317 NH1 ARG A 20 7.591 12.232 -0.964 1.00 0.00 N ATOM 318 NH2 ARG A 20 9.139 11.461 -2.419 1.00 0.00 N ATOM 0 H ARG A 20 8.316 5.840 2.840 1.00 0.00 H new ATOM 0 HA ARG A 20 8.609 5.411 0.199 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.059 7.576 1.706 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.722 7.988 1.339 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.308 7.945 -1.056 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.753 7.165 -0.847 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.978 9.340 -1.035 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.296 9.357 0.688 1.00 0.00 H new ATOM 0 HE ARG A 20 9.634 10.287 0.017 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.084 12.142 -0.084 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.395 13.016 -1.587 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.842 10.768 -2.675 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.944 12.244 -3.043 1.00 0.00 H new ATOM 332 N ALA A 21 11.579 5.731 1.510 1.00 0.00 N ATOM 333 CA ALA A 21 13.005 5.600 1.225 1.00 0.00 C ATOM 334 C ALA A 21 13.293 4.300 0.483 1.00 0.00 C ATOM 335 O ALA A 21 13.746 4.306 -0.662 1.00 0.00 O ATOM 336 CB ALA A 21 13.815 5.624 2.522 1.00 0.00 C ATOM 0 H ALA A 21 11.343 5.773 2.501 1.00 0.00 H new ATOM 0 HA ALA A 21 13.296 6.443 0.598 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.876 5.525 2.291 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.643 6.567 3.041 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.504 4.797 3.160 1.00 0.00 H new ATOM 342 N ASN A 22 13.032 3.184 1.152 1.00 0.00 N ATOM 343 CA ASN A 22 13.271 1.872 0.559 1.00 0.00 C ATOM 344 C ASN A 22 12.228 1.531 -0.507 1.00 0.00 C ATOM 345 O ASN A 22 12.381 0.552 -1.233 1.00 0.00 O ATOM 346 CB ASN A 22 13.251 0.793 1.646 1.00 0.00 C ATOM 347 CG ASN A 22 11.903 0.800 2.363 1.00 0.00 C ATOM 348 OD1 ASN A 22 11.568 1.756 3.061 1.00 0.00 O ATOM 349 ND2 ASN A 22 11.103 -0.223 2.228 1.00 0.00 N ATOM 0 H ASN A 22 12.657 3.159 2.100 1.00 0.00 H new ATOM 0 HA ASN A 22 14.250 1.904 0.081 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.431 -0.186 1.202 1.00 0.00 H new ATOM 0 HB3 ASN A 22 14.054 0.971 2.361 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.200 -0.230 2.701 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.381 -1.015 1.649 1.00 0.00 H new ATOM 356 N VAL A 23 11.172 2.340 -0.612 1.00 0.00 N ATOM 357 CA VAL A 23 10.144 2.080 -1.616 1.00 0.00 C ATOM 358 C VAL A 23 10.712 2.366 -3.004 1.00 0.00 C ATOM 359 O VAL A 23 11.449 3.332 -3.202 1.00 0.00 O ATOM 360 CB VAL A 23 8.904 2.952 -1.363 1.00 0.00 C ATOM 361 CG1 VAL A 23 7.824 2.659 -2.411 1.00 0.00 C ATOM 362 CG2 VAL A 23 8.342 2.647 0.034 1.00 0.00 C ATOM 0 H VAL A 23 11.009 3.161 -0.029 1.00 0.00 H new ATOM 0 HA VAL A 23 9.842 1.035 -1.552 1.00 0.00 H new ATOM 0 HB VAL A 23 9.193 4.001 -1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.952 3.284 -2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.214 2.876 -3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.537 1.609 -2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.462 3.265 0.215 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.065 1.595 0.093 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.100 2.865 0.787 1.00 0.00 H new ATOM 372 N LYS A 24 10.370 1.508 -3.958 1.00 0.00 N ATOM 373 CA LYS A 24 10.862 1.667 -5.323 1.00 0.00 C ATOM 374 C LYS A 24 9.917 2.546 -6.129 1.00 0.00 C ATOM 375 O LYS A 24 10.308 3.592 -6.646 1.00 0.00 O ATOM 376 CB LYS A 24 10.987 0.305 -6.010 1.00 0.00 C ATOM 377 CG LYS A 24 11.817 0.452 -7.287 1.00 0.00 C ATOM 378 CD LYS A 24 13.297 0.241 -6.963 1.00 0.00 C ATOM 379 CE LYS A 24 14.098 0.149 -8.263 1.00 0.00 C ATOM 380 NZ LYS A 24 14.600 1.503 -8.634 1.00 0.00 N ATOM 0 H LYS A 24 9.760 0.703 -3.815 1.00 0.00 H new ATOM 0 HA LYS A 24 11.843 2.139 -5.274 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.459 -0.412 -5.337 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.998 -0.086 -6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.490 -0.274 -8.031 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.666 1.441 -7.719 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.667 1.065 -6.353 1.00 0.00 H new ATOM 0 HD3 LYS A 24 13.426 -0.670 -6.379 1.00 0.00 H new ATOM 0 HE2 LYS A 24 14.934 -0.539 -8.140 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.472 -0.250 -9.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 15.145 1.441 -9.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.795 2.147 -8.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.211 1.866 -7.875 1.00 0.00 H new ATOM 394 N HIS A 25 8.665 2.114 -6.229 1.00 0.00 N ATOM 395 CA HIS A 25 7.671 2.884 -6.977 1.00 0.00 C ATOM 396 C HIS A 25 6.265 2.561 -6.489 1.00 0.00 C ATOM 397 O HIS A 25 6.024 1.514 -5.887 1.00 0.00 O ATOM 398 CB HIS A 25 7.767 2.593 -8.477 1.00 0.00 C ATOM 399 CG HIS A 25 7.729 1.108 -8.718 1.00 0.00 C ATOM 400 ND1 HIS A 25 8.784 0.429 -9.304 1.00 0.00 N ATOM 401 CD2 HIS A 25 6.765 0.162 -8.470 1.00 0.00 C ATOM 402 CE1 HIS A 25 8.434 -0.868 -9.390 1.00 0.00 C ATOM 403 NE2 HIS A 25 7.213 -1.085 -8.895 1.00 0.00 N ATOM 0 H HIS A 25 8.316 1.252 -5.811 1.00 0.00 H new ATOM 0 HA HIS A 25 7.877 3.941 -6.808 1.00 0.00 H new ATOM 0 HB2 HIS A 25 6.943 3.076 -9.003 1.00 0.00 H new ATOM 0 HB3 HIS A 25 8.690 3.011 -8.878 1.00 0.00 H new ATOM 0 HD1 HIS A 25 9.666 0.837 -9.614 1.00 0.00 H new ATOM 0 HD2 HIS A 25 5.805 0.356 -8.014 1.00 0.00 H new ATOM 0 HE1 HIS A 25 9.064 -1.639 -9.808 1.00 0.00 H new ATOM 411 N LEU A 26 5.338 3.481 -6.747 1.00 0.00 N ATOM 412 CA LEU A 26 3.957 3.289 -6.320 1.00 0.00 C ATOM 413 C LEU A 26 3.069 2.875 -7.484 1.00 0.00 C ATOM 414 O LEU A 26 3.238 3.328 -8.616 1.00 0.00 O ATOM 415 CB LEU A 26 3.380 4.575 -5.728 1.00 0.00 C ATOM 416 CG LEU A 26 3.901 4.807 -4.305 1.00 0.00 C ATOM 417 CD1 LEU A 26 3.270 6.084 -3.748 1.00 0.00 C ATOM 418 CD2 LEU A 26 3.516 3.631 -3.405 1.00 0.00 C ATOM 0 H LEU A 26 5.515 4.355 -7.243 1.00 0.00 H new ATOM 0 HA LEU A 26 3.973 2.502 -5.566 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.647 5.422 -6.360 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.292 4.518 -5.716 1.00 0.00 H new ATOM 0 HG LEU A 26 4.987 4.899 -4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.634 6.258 -2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.540 6.929 -4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.186 5.976 -3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.891 3.806 -2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.431 3.535 -3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.952 2.713 -3.800 1.00 0.00 H new ATOM 430 N LYS A 27 2.101 2.026 -7.172 1.00 0.00 N ATOM 431 CA LYS A 27 1.145 1.554 -8.170 1.00 0.00 C ATOM 432 C LYS A 27 -0.179 1.225 -7.481 1.00 0.00 C ATOM 433 O LYS A 27 -0.225 1.032 -6.266 1.00 0.00 O ATOM 434 CB LYS A 27 1.682 0.314 -8.895 1.00 0.00 C ATOM 435 CG LYS A 27 0.703 -0.106 -9.997 1.00 0.00 C ATOM 436 CD LYS A 27 1.413 -1.028 -10.989 1.00 0.00 C ATOM 437 CE LYS A 27 1.481 -2.443 -10.414 1.00 0.00 C ATOM 438 NZ LYS A 27 1.397 -3.436 -11.523 1.00 0.00 N ATOM 0 H LYS A 27 1.954 1.648 -6.236 1.00 0.00 H new ATOM 0 HA LYS A 27 0.990 2.339 -8.911 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.660 0.528 -9.326 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.819 -0.503 -8.186 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.155 -0.617 -9.560 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.321 0.775 -10.513 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.880 -1.036 -11.940 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.418 -0.657 -11.190 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.411 -2.578 -9.861 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.665 -2.600 -9.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.443 -4.398 -11.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.499 -3.312 -12.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.190 -3.291 -12.180 1.00 0.00 H new ATOM 452 N ILE A 28 -1.258 1.183 -8.257 1.00 0.00 N ATOM 453 CA ILE A 28 -2.569 0.894 -7.693 1.00 0.00 C ATOM 454 C ILE A 28 -3.363 -0.026 -8.616 1.00 0.00 C ATOM 455 O ILE A 28 -3.105 -0.104 -9.817 1.00 0.00 O ATOM 456 CB ILE A 28 -3.350 2.195 -7.490 1.00 0.00 C ATOM 457 CG1 ILE A 28 -2.513 3.168 -6.656 1.00 0.00 C ATOM 458 CG2 ILE A 28 -4.658 1.898 -6.760 1.00 0.00 C ATOM 459 CD1 ILE A 28 -1.729 4.094 -7.587 1.00 0.00 C ATOM 0 H ILE A 28 -1.250 1.343 -9.264 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.424 0.397 -6.734 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.569 2.640 -8.461 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.160 3.754 -6.003 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.827 2.616 -6.013 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.213 2.825 -6.616 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.256 1.205 -7.352 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.440 1.451 -5.790 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.133 4.787 -6.993 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.071 3.500 -8.221 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.424 4.656 -8.211 1.00 0.00 H new ATOM 471 N LEU A 29 -4.341 -0.716 -8.035 1.00 0.00 N ATOM 472 CA LEU A 29 -5.185 -1.626 -8.804 1.00 0.00 C ATOM 473 C LEU A 29 -6.650 -1.231 -8.654 1.00 0.00 C ATOM 474 O LEU A 29 -7.247 -1.394 -7.590 1.00 0.00 O ATOM 475 CB LEU A 29 -5.006 -3.066 -8.325 1.00 0.00 C ATOM 476 CG LEU A 29 -3.520 -3.428 -8.339 1.00 0.00 C ATOM 477 CD1 LEU A 29 -3.307 -4.745 -7.588 1.00 0.00 C ATOM 478 CD2 LEU A 29 -3.050 -3.587 -9.787 1.00 0.00 C ATOM 0 H LEU A 29 -4.568 -0.663 -7.042 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.889 -1.559 -9.851 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.409 -3.178 -7.318 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.563 -3.747 -8.969 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.949 -2.637 -7.854 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.248 -5.003 -7.598 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.644 -4.635 -6.557 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.878 -5.537 -8.073 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.991 -3.845 -9.800 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.622 -4.379 -10.270 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.202 -2.650 -10.324 1.00 0.00 H new ATOM 490 N ASN A 30 -7.222 -0.706 -9.733 1.00 0.00 N ATOM 491 CA ASN A 30 -8.619 -0.283 -9.713 1.00 0.00 C ATOM 492 C ASN A 30 -9.545 -1.482 -9.891 1.00 0.00 C ATOM 493 O ASN A 30 -9.683 -2.022 -10.987 1.00 0.00 O ATOM 494 CB ASN A 30 -8.890 0.727 -10.829 1.00 0.00 C ATOM 495 CG ASN A 30 -10.273 1.339 -10.637 1.00 0.00 C ATOM 496 OD1 ASN A 30 -10.644 1.711 -9.523 1.00 0.00 O ATOM 497 ND2 ASN A 30 -11.067 1.467 -11.665 1.00 0.00 N ATOM 0 H ASN A 30 -6.746 -0.564 -10.624 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.813 0.183 -8.747 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.130 1.509 -10.819 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.830 0.236 -11.800 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.994 1.875 -11.546 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.760 1.159 -12.588 1.00 0.00 H new ATOM 504 N THR A 31 -10.177 -1.888 -8.794 1.00 0.00 N ATOM 505 CA THR A 31 -11.094 -3.022 -8.827 1.00 0.00 C ATOM 506 C THR A 31 -12.515 -2.558 -8.483 1.00 0.00 C ATOM 507 O THR A 31 -12.690 -1.664 -7.655 1.00 0.00 O ATOM 508 CB THR A 31 -10.654 -4.083 -7.814 1.00 0.00 C ATOM 509 OG1 THR A 31 -9.246 -4.011 -7.638 1.00 0.00 O ATOM 510 CG2 THR A 31 -11.035 -5.474 -8.324 1.00 0.00 C ATOM 0 H THR A 31 -10.072 -1.452 -7.878 1.00 0.00 H new ATOM 0 HA THR A 31 -11.082 -3.449 -9.830 1.00 0.00 H new ATOM 0 HB THR A 31 -11.151 -3.902 -6.861 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.878 -4.917 -7.572 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.720 -6.226 -7.600 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.115 -5.529 -8.458 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.541 -5.660 -9.278 1.00 0.00 H new ATOM 518 N PRO A 32 -13.549 -3.149 -9.107 1.00 0.00 N ATOM 519 CA PRO A 32 -14.948 -2.765 -8.838 1.00 0.00 C ATOM 520 C PRO A 32 -15.499 -3.430 -7.582 1.00 0.00 C ATOM 521 O PRO A 32 -16.056 -2.770 -6.703 1.00 0.00 O ATOM 522 CB PRO A 32 -15.679 -3.255 -10.080 1.00 0.00 C ATOM 523 CG PRO A 32 -14.836 -4.370 -10.682 1.00 0.00 C ATOM 524 CD PRO A 32 -13.420 -4.232 -10.114 1.00 0.00 C ATOM 0 HA PRO A 32 -15.060 -1.696 -8.655 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.674 -3.619 -9.823 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.812 -2.443 -10.795 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -15.256 -5.345 -10.434 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -14.822 -4.296 -11.769 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -13.078 -5.162 -9.660 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.700 -3.973 -10.891 1.00 0.00 H new ATOM 532 N ASN A 33 -15.325 -4.743 -7.504 1.00 0.00 N ATOM 533 CA ASN A 33 -15.794 -5.499 -6.350 1.00 0.00 C ATOM 534 C ASN A 33 -15.121 -5.001 -5.070 1.00 0.00 C ATOM 535 O ASN A 33 -15.663 -5.143 -3.974 1.00 0.00 O ATOM 536 CB ASN A 33 -15.489 -6.988 -6.526 1.00 0.00 C ATOM 537 CG ASN A 33 -16.270 -7.530 -7.718 1.00 0.00 C ATOM 538 OD1 ASN A 33 -15.826 -7.420 -8.861 1.00 0.00 O ATOM 539 ND2 ASN A 33 -17.419 -8.115 -7.518 1.00 0.00 N ATOM 0 H ASN A 33 -14.865 -5.304 -8.221 1.00 0.00 H new ATOM 0 HA ASN A 33 -16.872 -5.355 -6.271 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -14.420 -7.135 -6.681 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -15.759 -7.535 -5.622 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.949 -8.481 -8.309 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.787 -8.206 -6.571 1.00 0.00 H new ATOM 546 N CYS A 34 -13.931 -4.419 -5.221 1.00 0.00 N ATOM 547 CA CYS A 34 -13.190 -3.905 -4.071 1.00 0.00 C ATOM 548 C CYS A 34 -12.930 -2.411 -4.236 1.00 0.00 C ATOM 549 O CYS A 34 -13.305 -1.808 -5.241 1.00 0.00 O ATOM 550 CB CYS A 34 -11.851 -4.634 -3.936 1.00 0.00 C ATOM 551 SG CYS A 34 -12.145 -6.415 -3.806 1.00 0.00 S ATOM 0 H CYS A 34 -13.464 -4.293 -6.119 1.00 0.00 H new ATOM 0 HA CYS A 34 -13.788 -4.073 -3.175 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -11.220 -4.421 -4.799 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -11.318 -4.277 -3.055 1.00 0.00 H new ATOM 556 N ALA A 35 -12.279 -1.823 -3.238 1.00 0.00 N ATOM 557 CA ALA A 35 -11.969 -0.397 -3.279 1.00 0.00 C ATOM 558 C ALA A 35 -10.597 -0.171 -3.911 1.00 0.00 C ATOM 559 O ALA A 35 -10.005 -1.085 -4.484 1.00 0.00 O ATOM 560 CB ALA A 35 -11.977 0.190 -1.866 1.00 0.00 C ATOM 0 H ALA A 35 -11.958 -2.305 -2.398 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.730 0.101 -3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.744 1.254 -1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.963 0.053 -1.421 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.230 -0.318 -1.257 1.00 0.00 H new ATOM 566 N LEU A 36 -10.096 1.056 -3.796 1.00 0.00 N ATOM 567 CA LEU A 36 -8.789 1.391 -4.357 1.00 0.00 C ATOM 568 C LEU A 36 -7.681 0.905 -3.431 1.00 0.00 C ATOM 569 O LEU A 36 -7.402 1.512 -2.397 1.00 0.00 O ATOM 570 CB LEU A 36 -8.657 2.903 -4.543 1.00 0.00 C ATOM 571 CG LEU A 36 -9.205 3.301 -5.917 1.00 0.00 C ATOM 572 CD1 LEU A 36 -10.639 3.815 -5.768 1.00 0.00 C ATOM 573 CD2 LEU A 36 -8.331 4.405 -6.517 1.00 0.00 C ATOM 0 H LEU A 36 -10.568 1.828 -3.325 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.699 0.900 -5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.203 3.425 -3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.612 3.200 -4.457 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.196 2.431 -6.574 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.028 4.098 -6.746 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.264 3.030 -5.342 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.648 4.683 -5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.722 4.687 -7.495 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.339 5.273 -5.858 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.309 4.041 -6.626 1.00 0.00 H new ATOM 585 N GLN A 37 -7.050 -0.200 -3.817 1.00 0.00 N ATOM 586 CA GLN A 37 -5.966 -0.768 -3.016 1.00 0.00 C ATOM 587 C GLN A 37 -4.623 -0.280 -3.548 1.00 0.00 C ATOM 588 O GLN A 37 -4.223 -0.624 -4.661 1.00 0.00 O ATOM 589 CB GLN A 37 -5.977 -2.305 -3.063 1.00 0.00 C ATOM 590 CG GLN A 37 -7.408 -2.838 -2.925 1.00 0.00 C ATOM 591 CD GLN A 37 -8.032 -2.983 -4.309 1.00 0.00 C ATOM 592 OE1 GLN A 37 -7.611 -2.323 -5.259 1.00 0.00 O ATOM 593 NE2 GLN A 37 -9.020 -3.813 -4.483 1.00 0.00 N ATOM 0 H GLN A 37 -7.266 -0.717 -4.670 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.113 -0.444 -1.986 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.544 -2.649 -4.002 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.356 -2.703 -2.261 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.401 -3.801 -2.415 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.003 -2.158 -2.315 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.370 -4.361 -3.697 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.444 -3.915 -5.405 1.00 0.00 H new ATOM 602 N ILE A 38 -3.929 0.526 -2.748 1.00 0.00 N ATOM 603 CA ILE A 38 -2.634 1.044 -3.172 1.00 0.00 C ATOM 604 C ILE A 38 -1.563 -0.026 -3.026 1.00 0.00 C ATOM 605 O ILE A 38 -1.266 -0.495 -1.923 1.00 0.00 O ATOM 606 CB ILE A 38 -2.214 2.267 -2.357 1.00 0.00 C ATOM 607 CG1 ILE A 38 -3.354 3.290 -2.324 1.00 0.00 C ATOM 608 CG2 ILE A 38 -0.981 2.899 -3.014 1.00 0.00 C ATOM 609 CD1 ILE A 38 -3.166 4.221 -1.124 1.00 0.00 C ATOM 0 H ILE A 38 -4.234 0.829 -1.823 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.737 1.338 -4.217 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.981 1.963 -1.336 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.366 3.868 -3.248 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.314 2.779 -2.255 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.671 3.773 -2.441 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.168 2.173 -3.036 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.226 3.200 -4.032 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.976 4.950 -1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.175 3.636 -0.204 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.212 4.741 -1.213 1.00 0.00 H new ATOM 621 N VAL A 39 -0.967 -0.384 -4.152 1.00 0.00 N ATOM 622 CA VAL A 39 0.093 -1.379 -4.149 1.00 0.00 C ATOM 623 C VAL A 39 1.429 -0.672 -4.299 1.00 0.00 C ATOM 624 O VAL A 39 1.480 0.539 -4.521 1.00 0.00 O ATOM 625 CB VAL A 39 -0.093 -2.398 -5.279 1.00 0.00 C ATOM 626 CG1 VAL A 39 -1.405 -3.157 -5.071 1.00 0.00 C ATOM 627 CG2 VAL A 39 -0.137 -1.677 -6.625 1.00 0.00 C ATOM 0 H VAL A 39 -1.196 -0.005 -5.071 1.00 0.00 H new ATOM 0 HA VAL A 39 0.060 -1.925 -3.206 1.00 0.00 H new ATOM 0 HB VAL A 39 0.743 -3.098 -5.270 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.537 -3.882 -5.874 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.376 -3.678 -4.114 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.237 -2.453 -5.076 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.269 -2.406 -7.424 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.970 -0.974 -6.634 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.797 -1.136 -6.779 1.00 0.00 H new ATOM 637 N ALA A 40 2.510 -1.422 -4.152 1.00 0.00 N ATOM 638 CA ALA A 40 3.833 -0.823 -4.250 1.00 0.00 C ATOM 639 C ALA A 40 4.896 -1.868 -4.517 1.00 0.00 C ATOM 640 O ALA A 40 4.611 -3.056 -4.624 1.00 0.00 O ATOM 641 CB ALA A 40 4.181 -0.125 -2.942 1.00 0.00 C ATOM 0 H ALA A 40 2.501 -2.425 -3.968 1.00 0.00 H new ATOM 0 HA ALA A 40 3.809 -0.114 -5.077 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.172 0.322 -3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.447 0.655 -2.739 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.174 -0.851 -2.129 1.00 0.00 H new ATOM 647 N ARG A 41 6.132 -1.393 -4.596 1.00 0.00 N ATOM 648 CA ARG A 41 7.272 -2.272 -4.816 1.00 0.00 C ATOM 649 C ARG A 41 8.471 -1.754 -4.032 1.00 0.00 C ATOM 650 O ARG A 41 8.932 -0.629 -4.243 1.00 0.00 O ATOM 651 CB ARG A 41 7.618 -2.360 -6.300 1.00 0.00 C ATOM 652 CG ARG A 41 8.158 -3.760 -6.616 1.00 0.00 C ATOM 653 CD ARG A 41 9.284 -3.657 -7.643 1.00 0.00 C ATOM 654 NE ARG A 41 9.772 -4.984 -8.008 1.00 0.00 N ATOM 655 CZ ARG A 41 9.415 -5.553 -9.156 1.00 0.00 C ATOM 656 NH1 ARG A 41 8.169 -5.518 -9.542 1.00 0.00 N ATOM 657 NH2 ARG A 41 10.311 -6.146 -9.896 1.00 0.00 N ATOM 0 H ARG A 41 6.370 -0.405 -4.511 1.00 0.00 H new ATOM 0 HA ARG A 41 7.011 -3.272 -4.470 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.734 -2.155 -6.903 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.361 -1.605 -6.557 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.525 -4.233 -5.705 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.357 -4.391 -7.002 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.926 -3.138 -8.532 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.102 -3.063 -7.235 1.00 0.00 H new ATOM 0 HE ARG A 41 10.396 -5.482 -7.373 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.469 -5.054 -8.963 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.895 -5.954 -10.422 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.285 -6.173 -9.594 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.038 -6.582 -10.776 1.00 0.00 H new ATOM 671 N LEU A 42 8.943 -2.584 -3.100 1.00 0.00 N ATOM 672 CA LEU A 42 10.064 -2.217 -2.241 1.00 0.00 C ATOM 673 C LEU A 42 11.401 -2.381 -2.955 1.00 0.00 C ATOM 674 O LEU A 42 11.497 -3.036 -3.997 1.00 0.00 O ATOM 675 CB LEU A 42 10.067 -3.087 -0.986 1.00 0.00 C ATOM 676 CG LEU A 42 8.682 -3.070 -0.329 1.00 0.00 C ATOM 677 CD1 LEU A 42 8.690 -3.985 0.895 1.00 0.00 C ATOM 678 CD2 LEU A 42 8.334 -1.646 0.109 1.00 0.00 C ATOM 0 H LEU A 42 8.564 -3.514 -2.923 1.00 0.00 H new ATOM 0 HA LEU A 42 9.939 -1.167 -1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.343 -4.109 -1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.816 -2.722 -0.283 1.00 0.00 H new ATOM 0 HG LEU A 42 7.940 -3.420 -1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.706 -3.974 1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.934 -5.002 0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.435 -3.632 1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.349 -1.639 0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.077 -1.294 0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.328 -0.989 -0.761 1.00 0.00 H new ATOM 690 N LYS A 43 12.428 -1.761 -2.370 1.00 0.00 N ATOM 691 CA LYS A 43 13.780 -1.798 -2.926 1.00 0.00 C ATOM 692 C LYS A 43 14.702 -2.681 -2.088 1.00 0.00 C ATOM 693 O LYS A 43 15.283 -3.646 -2.588 1.00 0.00 O ATOM 694 CB LYS A 43 14.359 -0.380 -2.957 1.00 0.00 C ATOM 695 CG LYS A 43 15.366 -0.242 -4.099 1.00 0.00 C ATOM 696 CD LYS A 43 16.568 -1.154 -3.847 1.00 0.00 C ATOM 697 CE LYS A 43 17.834 -0.495 -4.396 1.00 0.00 C ATOM 698 NZ LYS A 43 18.234 0.631 -3.505 1.00 0.00 N ATOM 0 H LYS A 43 12.347 -1.225 -1.506 1.00 0.00 H new ATOM 0 HA LYS A 43 13.717 -2.211 -3.933 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.555 0.345 -3.082 1.00 0.00 H new ATOM 0 HB3 LYS A 43 14.844 -0.157 -2.007 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.893 -0.503 -5.046 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.695 0.794 -4.182 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.677 -1.342 -2.779 1.00 0.00 H new ATOM 0 HD3 LYS A 43 16.411 -2.120 -4.326 1.00 0.00 H new ATOM 0 HE2 LYS A 43 18.640 -1.227 -4.459 1.00 0.00 H new ATOM 0 HE3 LYS A 43 17.657 -0.128 -5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 19.252 0.814 -3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.700 1.485 -3.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 18.029 0.381 -2.516 1.00 0.00 H new ATOM 712 N ASN A 44 14.843 -2.324 -0.810 1.00 0.00 N ATOM 713 CA ASN A 44 15.715 -3.064 0.118 1.00 0.00 C ATOM 714 C ASN A 44 15.559 -4.579 -0.034 1.00 0.00 C ATOM 715 O ASN A 44 16.510 -5.338 0.151 1.00 0.00 O ATOM 716 CB ASN A 44 15.395 -2.680 1.564 1.00 0.00 C ATOM 717 CG ASN A 44 16.574 -3.044 2.461 1.00 0.00 C ATOM 718 OD1 ASN A 44 17.712 -2.665 2.183 1.00 0.00 O ATOM 719 ND2 ASN A 44 16.368 -3.763 3.529 1.00 0.00 N ATOM 0 H ASN A 44 14.366 -1.527 -0.389 1.00 0.00 H new ATOM 0 HA ASN A 44 16.742 -2.795 -0.127 1.00 0.00 H new ATOM 0 HB2 ASN A 44 15.190 -1.611 1.631 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.496 -3.198 1.899 1.00 0.00 H new ATOM 0 HD21 ASN A 44 17.150 -4.012 4.135 1.00 0.00 H new ATOM 0 HD22 ASN A 44 15.425 -4.077 3.759 1.00 0.00 H new ATOM 726 N ASN A 45 14.348 -5.002 -0.374 1.00 0.00 N ATOM 727 CA ASN A 45 14.072 -6.427 -0.552 1.00 0.00 C ATOM 728 C ASN A 45 13.725 -6.739 -2.007 1.00 0.00 C ATOM 729 O ASN A 45 13.902 -7.866 -2.471 1.00 0.00 O ATOM 730 CB ASN A 45 12.912 -6.859 0.341 1.00 0.00 C ATOM 731 CG ASN A 45 11.701 -5.978 0.071 1.00 0.00 C ATOM 732 OD1 ASN A 45 11.719 -4.784 0.365 1.00 0.00 O ATOM 733 ND2 ASN A 45 10.636 -6.502 -0.471 1.00 0.00 N ATOM 0 H ASN A 45 13.548 -4.389 -0.531 1.00 0.00 H new ATOM 0 HA ASN A 45 14.972 -6.976 -0.275 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.664 -7.903 0.151 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.201 -6.786 1.390 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.817 -5.921 -0.651 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.622 -7.492 -0.714 1.00 0.00 H new ATOM 740 N ASN A 46 13.224 -5.730 -2.719 1.00 0.00 N ATOM 741 CA ASN A 46 12.845 -5.895 -4.123 1.00 0.00 C ATOM 742 C ASN A 46 11.656 -6.840 -4.241 1.00 0.00 C ATOM 743 O ASN A 46 11.815 -8.050 -4.400 1.00 0.00 O ATOM 744 CB ASN A 46 14.020 -6.441 -4.953 1.00 0.00 C ATOM 745 CG ASN A 46 14.700 -5.296 -5.696 1.00 0.00 C ATOM 746 OD1 ASN A 46 15.021 -5.448 -6.953 1.00 0.00 O flip ATOM 747 ND2 ASN A 46 14.948 -4.235 -5.123 1.00 0.00 N flip ATOM 0 H ASN A 46 13.071 -4.792 -2.349 1.00 0.00 H new ATOM 0 HA ASN A 46 12.570 -4.915 -4.512 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.737 -6.941 -4.302 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.661 -7.186 -5.663 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.698 -4.115 -4.141 1.00 0.00 H new ATOM 0 HD22 ASN A 46 15.404 -3.476 -5.630 1.00 0.00 H new ATOM 754 N ARG A 47 10.459 -6.267 -4.162 1.00 0.00 N ATOM 755 CA ARG A 47 9.234 -7.060 -4.262 1.00 0.00 C ATOM 756 C ARG A 47 8.013 -6.151 -4.175 1.00 0.00 C ATOM 757 O ARG A 47 8.086 -5.041 -3.651 1.00 0.00 O ATOM 758 CB ARG A 47 9.179 -8.107 -3.136 1.00 0.00 C ATOM 759 CG ARG A 47 9.123 -9.516 -3.737 1.00 0.00 C ATOM 760 CD ARG A 47 8.383 -10.452 -2.779 1.00 0.00 C ATOM 761 NE ARG A 47 7.942 -11.657 -3.476 1.00 0.00 N ATOM 762 CZ ARG A 47 8.747 -12.709 -3.600 1.00 0.00 C ATOM 763 NH1 ARG A 47 9.585 -12.775 -4.598 1.00 0.00 N ATOM 764 NH2 ARG A 47 8.699 -13.675 -2.723 1.00 0.00 N ATOM 0 H ARG A 47 10.309 -5.267 -4.030 1.00 0.00 H new ATOM 0 HA ARG A 47 9.233 -7.573 -5.223 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.055 -8.010 -2.494 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.304 -7.934 -2.509 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.616 -9.491 -4.702 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.132 -9.886 -3.917 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.037 -10.724 -1.950 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.523 -9.937 -2.351 1.00 0.00 H new ATOM 0 HE ARG A 47 7.003 -11.693 -3.874 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.623 -12.020 -5.283 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.202 -13.581 -4.693 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.044 -13.623 -1.943 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.316 -14.481 -2.818 1.00 0.00 H new ATOM 778 N GLN A 48 6.889 -6.632 -4.703 1.00 0.00 N ATOM 779 CA GLN A 48 5.658 -5.846 -4.687 1.00 0.00 C ATOM 780 C GLN A 48 4.892 -6.052 -3.382 1.00 0.00 C ATOM 781 O GLN A 48 4.700 -7.182 -2.934 1.00 0.00 O ATOM 782 CB GLN A 48 4.758 -6.240 -5.859 1.00 0.00 C ATOM 783 CG GLN A 48 3.582 -5.265 -5.955 1.00 0.00 C ATOM 784 CD GLN A 48 2.372 -5.983 -6.545 1.00 0.00 C ATOM 785 OE1 GLN A 48 2.424 -6.473 -7.674 1.00 0.00 O ATOM 786 NE2 GLN A 48 1.277 -6.075 -5.843 1.00 0.00 N ATOM 0 H GLN A 48 6.805 -7.549 -5.141 1.00 0.00 H new ATOM 0 HA GLN A 48 5.937 -4.796 -4.774 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.328 -6.230 -6.788 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.390 -7.257 -5.722 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.339 -4.873 -4.967 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.852 -4.413 -6.579 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.235 -5.669 -4.908 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.463 -6.553 -6.229 1.00 0.00 H new ATOM 795 N VAL A 49 4.448 -4.947 -2.778 1.00 0.00 N ATOM 796 CA VAL A 49 3.693 -5.034 -1.526 1.00 0.00 C ATOM 797 C VAL A 49 2.648 -3.929 -1.444 1.00 0.00 C ATOM 798 O VAL A 49 2.801 -2.865 -2.039 1.00 0.00 O ATOM 799 CB VAL A 49 4.618 -4.900 -0.313 1.00 0.00 C ATOM 800 CG1 VAL A 49 5.472 -6.157 -0.172 1.00 0.00 C ATOM 801 CG2 VAL A 49 5.525 -3.680 -0.490 1.00 0.00 C ATOM 0 H VAL A 49 4.594 -4.000 -3.127 1.00 0.00 H new ATOM 0 HA VAL A 49 3.208 -6.010 -1.516 1.00 0.00 H new ATOM 0 HB VAL A 49 4.014 -4.774 0.586 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.128 -6.056 0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.825 -7.023 -0.037 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.074 -6.291 -1.071 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.182 -3.587 0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.126 -3.801 -1.391 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.914 -2.782 -0.579 1.00 0.00 H new ATOM 811 N CYS A 50 1.596 -4.187 -0.674 1.00 0.00 N ATOM 812 CA CYS A 50 0.541 -3.200 -0.492 1.00 0.00 C ATOM 813 C CYS A 50 0.917 -2.291 0.669 1.00 0.00 C ATOM 814 O CYS A 50 1.174 -2.764 1.776 1.00 0.00 O ATOM 815 CB CYS A 50 -0.796 -3.880 -0.186 1.00 0.00 C ATOM 816 SG CYS A 50 -1.200 -5.049 -1.510 1.00 0.00 S ATOM 0 H CYS A 50 1.453 -5.063 -0.171 1.00 0.00 H new ATOM 0 HA CYS A 50 0.433 -2.624 -1.411 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.740 -4.402 0.769 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.584 -3.132 -0.095 1.00 0.00 H new ATOM 821 N ILE A 51 0.966 -0.988 0.414 1.00 0.00 N ATOM 822 CA ILE A 51 1.335 -0.054 1.473 1.00 0.00 C ATOM 823 C ILE A 51 0.106 0.414 2.226 1.00 0.00 C ATOM 824 O ILE A 51 -0.993 0.488 1.678 1.00 0.00 O ATOM 825 CB ILE A 51 2.083 1.158 0.925 1.00 0.00 C ATOM 826 CG1 ILE A 51 3.214 0.694 0.007 1.00 0.00 C ATOM 827 CG2 ILE A 51 2.685 1.937 2.095 1.00 0.00 C ATOM 828 CD1 ILE A 51 3.869 1.908 -0.644 1.00 0.00 C ATOM 0 H ILE A 51 0.761 -0.562 -0.490 1.00 0.00 H new ATOM 0 HA ILE A 51 1.998 -0.589 2.153 1.00 0.00 H new ATOM 0 HB ILE A 51 1.393 1.789 0.364 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.953 0.131 0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.824 0.023 -0.759 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.222 2.806 1.715 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.888 2.266 2.762 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.375 1.295 2.643 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.676 1.579 -1.299 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.127 2.452 -1.228 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.273 2.562 0.129 1.00 0.00 H new ATOM 840 N ASP A 52 0.305 0.707 3.504 1.00 0.00 N ATOM 841 CA ASP A 52 -0.789 1.145 4.355 1.00 0.00 C ATOM 842 C ASP A 52 -1.103 2.626 4.108 1.00 0.00 C ATOM 843 O ASP A 52 -0.192 3.429 3.908 1.00 0.00 O ATOM 844 CB ASP A 52 -0.412 0.946 5.832 1.00 0.00 C ATOM 845 CG ASP A 52 -1.531 0.204 6.561 1.00 0.00 C ATOM 846 OD1 ASP A 52 -1.710 -0.970 6.288 1.00 0.00 O ATOM 847 OD2 ASP A 52 -2.190 0.823 7.381 1.00 0.00 O ATOM 0 H ASP A 52 1.210 0.649 3.971 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.671 0.550 4.117 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.518 0.382 5.906 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.237 1.912 6.305 1.00 0.00 H new ATOM 852 N PRO A 53 -2.390 3.012 4.131 1.00 0.00 N ATOM 853 CA PRO A 53 -2.789 4.418 3.920 1.00 0.00 C ATOM 854 C PRO A 53 -2.545 5.281 5.158 1.00 0.00 C ATOM 855 O PRO A 53 -2.460 6.505 5.070 1.00 0.00 O ATOM 856 CB PRO A 53 -4.277 4.312 3.618 1.00 0.00 C ATOM 857 CG PRO A 53 -4.761 3.010 4.233 1.00 0.00 C ATOM 858 CD PRO A 53 -3.539 2.099 4.373 1.00 0.00 C ATOM 0 HA PRO A 53 -2.214 4.898 3.128 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -4.817 5.161 4.037 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.454 4.320 2.543 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.221 3.190 5.205 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.519 2.544 3.603 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.489 1.646 5.363 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.562 1.284 3.650 1.00 0.00 H new ATOM 866 N LYS A 54 -2.431 4.625 6.314 1.00 0.00 N ATOM 867 CA LYS A 54 -2.194 5.338 7.563 1.00 0.00 C ATOM 868 C LYS A 54 -0.698 5.595 7.792 1.00 0.00 C ATOM 869 O LYS A 54 -0.317 6.192 8.800 1.00 0.00 O ATOM 870 CB LYS A 54 -2.742 4.536 8.745 1.00 0.00 C ATOM 871 CG LYS A 54 -4.230 4.255 8.523 1.00 0.00 C ATOM 872 CD LYS A 54 -4.898 3.954 9.866 1.00 0.00 C ATOM 873 CE LYS A 54 -6.203 3.189 9.629 1.00 0.00 C ATOM 874 NZ LYS A 54 -6.848 2.888 10.937 1.00 0.00 N ATOM 0 H LYS A 54 -2.499 3.612 6.408 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.708 6.296 7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.195 3.599 8.847 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.600 5.091 9.672 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.707 5.114 8.052 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.354 3.410 7.845 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.228 3.366 10.493 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.101 4.883 10.399 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.876 3.780 9.008 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.001 2.264 9.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.734 2.368 10.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.207 2.308 11.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.054 3.777 11.435 1.00 0.00 H new ATOM 888 N LEU A 55 0.155 5.150 6.857 1.00 0.00 N ATOM 889 CA LEU A 55 1.598 5.360 6.998 1.00 0.00 C ATOM 890 C LEU A 55 1.906 6.846 7.173 1.00 0.00 C ATOM 891 O LEU A 55 1.076 7.706 6.879 1.00 0.00 O ATOM 892 CB LEU A 55 2.337 4.817 5.773 1.00 0.00 C ATOM 893 CG LEU A 55 2.894 3.421 6.077 1.00 0.00 C ATOM 894 CD1 LEU A 55 3.544 2.841 4.817 1.00 0.00 C ATOM 895 CD2 LEU A 55 3.933 3.504 7.203 1.00 0.00 C ATOM 0 H LEU A 55 -0.125 4.652 6.012 1.00 0.00 H new ATOM 0 HA LEU A 55 1.938 4.823 7.883 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.660 4.770 4.920 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.149 5.491 5.499 1.00 0.00 H new ATOM 0 HG LEU A 55 2.077 2.773 6.394 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.939 1.849 5.035 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.800 2.769 4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.356 3.492 4.494 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.323 2.508 7.412 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.750 4.157 6.897 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.465 3.906 8.101 1.00 0.00 H new ATOM 907 N LYS A 56 3.095 7.135 7.687 1.00 0.00 N ATOM 908 CA LYS A 56 3.488 8.513 7.935 1.00 0.00 C ATOM 909 C LYS A 56 3.912 9.219 6.658 1.00 0.00 C ATOM 910 O LYS A 56 3.633 10.404 6.476 1.00 0.00 O ATOM 911 CB LYS A 56 4.633 8.573 8.947 1.00 0.00 C ATOM 912 CG LYS A 56 4.060 8.649 10.363 1.00 0.00 C ATOM 913 CD LYS A 56 3.831 10.115 10.743 1.00 0.00 C ATOM 914 CE LYS A 56 3.151 10.187 12.111 1.00 0.00 C ATOM 915 NZ LYS A 56 3.056 11.610 12.543 1.00 0.00 N ATOM 0 H LYS A 56 3.797 6.439 7.938 1.00 0.00 H new ATOM 0 HA LYS A 56 2.614 9.025 8.338 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.267 7.692 8.847 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.261 9.442 8.750 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.122 8.097 10.417 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.746 8.182 11.070 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.782 10.648 10.769 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.212 10.604 9.991 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.156 9.744 12.059 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.718 9.611 12.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.594 11.660 13.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.011 12.017 12.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.497 12.147 11.849 1.00 0.00 H new ATOM 929 N TRP A 57 4.592 8.501 5.776 1.00 0.00 N ATOM 930 CA TRP A 57 5.031 9.116 4.531 1.00 0.00 C ATOM 931 C TRP A 57 3.934 9.033 3.478 1.00 0.00 C ATOM 932 O TRP A 57 3.832 9.900 2.607 1.00 0.00 O ATOM 933 CB TRP A 57 6.328 8.485 4.016 1.00 0.00 C ATOM 934 CG TRP A 57 6.136 7.049 3.636 1.00 0.00 C ATOM 935 CD1 TRP A 57 6.200 5.991 4.481 1.00 0.00 C ATOM 936 CD2 TRP A 57 5.868 6.503 2.317 1.00 0.00 C ATOM 937 NE1 TRP A 57 6.016 4.830 3.748 1.00 0.00 N ATOM 938 CE2 TRP A 57 5.803 5.096 2.413 1.00 0.00 C ATOM 939 CE3 TRP A 57 5.683 7.093 1.057 1.00 0.00 C ATOM 940 CZ2 TRP A 57 5.567 4.299 1.296 1.00 0.00 C ATOM 941 CZ3 TRP A 57 5.437 6.295 -0.073 1.00 0.00 C ATOM 942 CH2 TRP A 57 5.382 4.899 0.047 1.00 0.00 C ATOM 0 H TRP A 57 4.846 7.520 5.892 1.00 0.00 H new ATOM 0 HA TRP A 57 5.238 10.167 4.735 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.686 9.045 3.152 1.00 0.00 H new ATOM 0 HB3 TRP A 57 7.098 8.558 4.784 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.366 6.044 5.547 1.00 0.00 H new ATOM 0 HE1 TRP A 57 6.036 3.892 4.148 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.730 8.167 0.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.527 3.224 1.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.290 6.758 -1.037 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.197 4.288 -0.824 1.00 0.00 H new ATOM 953 N ILE A 58 3.103 7.998 3.569 1.00 0.00 N ATOM 954 CA ILE A 58 2.022 7.854 2.615 1.00 0.00 C ATOM 955 C ILE A 58 0.869 8.794 2.979 1.00 0.00 C ATOM 956 O ILE A 58 0.043 9.105 2.127 1.00 0.00 O ATOM 957 CB ILE A 58 1.558 6.382 2.508 1.00 0.00 C ATOM 958 CG1 ILE A 58 2.603 5.631 1.633 1.00 0.00 C ATOM 959 CG2 ILE A 58 0.133 6.282 1.904 1.00 0.00 C ATOM 960 CD1 ILE A 58 1.974 4.520 0.772 1.00 0.00 C ATOM 0 H ILE A 58 3.159 7.266 4.277 1.00 0.00 H new ATOM 0 HA ILE A 58 2.388 8.138 1.628 1.00 0.00 H new ATOM 0 HB ILE A 58 1.499 5.929 3.497 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.107 6.346 0.983 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.365 5.196 2.279 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.163 5.235 1.842 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.570 6.821 2.539 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.129 6.719 0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.751 4.032 0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.494 3.786 1.419 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.231 4.955 0.103 1.00 0.00 H new ATOM 972 N GLN A 59 0.809 9.257 4.233 1.00 0.00 N ATOM 973 CA GLN A 59 -0.264 10.165 4.605 1.00 0.00 C ATOM 974 C GLN A 59 -0.082 11.497 3.880 1.00 0.00 C ATOM 975 O GLN A 59 -1.054 12.182 3.559 1.00 0.00 O ATOM 976 CB GLN A 59 -0.333 10.390 6.122 1.00 0.00 C ATOM 977 CG GLN A 59 0.986 10.977 6.638 1.00 0.00 C ATOM 978 CD GLN A 59 0.700 12.163 7.557 1.00 0.00 C ATOM 979 OE1 GLN A 59 -0.040 12.035 8.533 1.00 0.00 O ATOM 980 NE2 GLN A 59 1.247 13.318 7.301 1.00 0.00 N ATOM 0 H GLN A 59 1.467 9.025 4.977 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.207 9.707 4.306 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.156 11.065 6.358 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.540 9.446 6.627 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.548 10.214 7.177 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.605 11.296 5.800 1.00 0.00 H new ATOM 0 HE21 GLN A 59 1.860 13.424 6.493 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.062 14.116 7.909 1.00 0.00 H new ATOM 989 N GLU A 60 1.176 11.845 3.590 1.00 0.00 N ATOM 990 CA GLU A 60 1.463 13.080 2.869 1.00 0.00 C ATOM 991 C GLU A 60 1.224 12.855 1.379 1.00 0.00 C ATOM 992 O GLU A 60 0.736 13.733 0.668 1.00 0.00 O ATOM 993 CB GLU A 60 2.916 13.510 3.085 1.00 0.00 C ATOM 994 CG GLU A 60 3.009 14.385 4.338 1.00 0.00 C ATOM 995 CD GLU A 60 4.076 15.456 4.133 1.00 0.00 C ATOM 996 OE1 GLU A 60 5.156 15.111 3.683 1.00 0.00 O ATOM 997 OE2 GLU A 60 3.797 16.606 4.432 1.00 0.00 O ATOM 0 H GLU A 60 1.998 11.295 3.841 1.00 0.00 H new ATOM 0 HA GLU A 60 0.807 13.865 3.245 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.554 12.633 3.193 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.276 14.061 2.216 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.045 14.851 4.541 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.256 13.772 5.205 1.00 0.00 H new ATOM 1004 N TYR A 61 1.566 11.651 0.926 1.00 0.00 N ATOM 1005 CA TYR A 61 1.385 11.280 -0.475 1.00 0.00 C ATOM 1006 C TYR A 61 -0.112 11.201 -0.790 1.00 0.00 C ATOM 1007 O TYR A 61 -0.592 11.793 -1.755 1.00 0.00 O ATOM 1008 CB TYR A 61 2.093 9.923 -0.737 1.00 0.00 C ATOM 1009 CG TYR A 61 1.471 9.154 -1.889 1.00 0.00 C ATOM 1010 CD1 TYR A 61 1.305 9.759 -3.138 1.00 0.00 C ATOM 1011 CD2 TYR A 61 1.056 7.834 -1.688 1.00 0.00 C ATOM 1012 CE1 TYR A 61 0.724 9.040 -4.191 1.00 0.00 C ATOM 1013 CE2 TYR A 61 0.475 7.115 -2.737 1.00 0.00 C ATOM 1014 CZ TYR A 61 0.309 7.718 -3.990 1.00 0.00 C ATOM 1015 OH TYR A 61 -0.265 7.008 -5.026 1.00 0.00 O ATOM 0 H TYR A 61 1.969 10.917 1.508 1.00 0.00 H new ATOM 0 HA TYR A 61 1.829 12.031 -1.129 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.147 10.102 -0.951 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.050 9.315 0.166 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.624 10.779 -3.291 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.184 7.369 -0.722 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.596 9.505 -5.157 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.155 6.095 -2.581 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.494 6.107 -4.717 1.00 0.00 H new ATOM 1025 N LEU A 62 -0.836 10.461 0.041 1.00 0.00 N ATOM 1026 CA LEU A 62 -2.271 10.307 -0.147 1.00 0.00 C ATOM 1027 C LEU A 62 -2.965 11.664 -0.062 1.00 0.00 C ATOM 1028 O LEU A 62 -4.006 11.887 -0.681 1.00 0.00 O ATOM 1029 CB LEU A 62 -2.843 9.374 0.925 1.00 0.00 C ATOM 1030 CG LEU A 62 -3.860 8.419 0.295 1.00 0.00 C ATOM 1031 CD1 LEU A 62 -3.139 7.171 -0.218 1.00 0.00 C ATOM 1032 CD2 LEU A 62 -4.894 8.013 1.347 1.00 0.00 C ATOM 0 H LEU A 62 -0.456 9.962 0.845 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.447 9.877 -1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.038 8.806 1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.319 9.959 1.712 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.360 8.916 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.863 6.491 -0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.400 7.459 -0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.639 6.672 0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.619 7.333 0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.393 7.515 2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.408 8.901 1.714 1.00 0.00 H new ATOM 1044 N GLU A 63 -2.368 12.570 0.711 1.00 0.00 N ATOM 1045 CA GLU A 63 -2.928 13.909 0.871 1.00 0.00 C ATOM 1046 C GLU A 63 -2.972 14.630 -0.473 1.00 0.00 C ATOM 1047 O GLU A 63 -3.951 15.297 -0.805 1.00 0.00 O ATOM 1048 CB GLU A 63 -2.085 14.729 1.850 1.00 0.00 C ATOM 1049 CG GLU A 63 -2.803 16.043 2.166 1.00 0.00 C ATOM 1050 CD GLU A 63 -1.772 17.125 2.465 1.00 0.00 C ATOM 1051 OE1 GLU A 63 -1.115 17.024 3.489 1.00 0.00 O ATOM 1052 OE2 GLU A 63 -1.655 18.042 1.668 1.00 0.00 O ATOM 0 H GLU A 63 -1.506 12.403 1.231 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.940 13.807 1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.920 14.163 2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.104 14.932 1.420 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.426 16.342 1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.466 15.911 3.021 1.00 0.00 H new ATOM 1059 N LYS A 64 -1.896 14.487 -1.245 1.00 0.00 N ATOM 1060 CA LYS A 64 -1.824 15.129 -2.556 1.00 0.00 C ATOM 1061 C LYS A 64 -2.492 14.257 -3.618 1.00 0.00 C ATOM 1062 O LYS A 64 -3.018 14.760 -4.612 1.00 0.00 O ATOM 1063 CB LYS A 64 -0.368 15.383 -2.955 1.00 0.00 C ATOM 1064 CG LYS A 64 0.419 14.073 -2.903 1.00 0.00 C ATOM 1065 CD LYS A 64 1.745 14.245 -3.648 1.00 0.00 C ATOM 1066 CE LYS A 64 2.838 14.653 -2.660 1.00 0.00 C ATOM 1067 NZ LYS A 64 4.129 14.808 -3.386 1.00 0.00 N ATOM 0 H LYS A 64 -1.073 13.941 -0.990 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.349 16.082 -2.490 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.325 15.804 -3.959 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.081 16.114 -2.283 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.606 13.789 -1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.162 13.269 -3.354 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.018 13.314 -4.145 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.642 15.002 -4.425 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.569 15.589 -2.170 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.936 13.900 -1.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.873 15.086 -2.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.386 13.905 -3.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.031 15.542 -4.117 1.00 0.00 H new ATOM 1081 N ALA A 65 -2.465 12.944 -3.401 1.00 0.00 N ATOM 1082 CA ALA A 65 -3.071 12.012 -4.348 1.00 0.00 C ATOM 1083 C ALA A 65 -4.570 12.267 -4.465 1.00 0.00 C ATOM 1084 O ALA A 65 -5.167 12.069 -5.523 1.00 0.00 O ATOM 1085 CB ALA A 65 -2.846 10.567 -3.895 1.00 0.00 C ATOM 0 H ALA A 65 -2.035 12.505 -2.587 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.600 12.167 -5.319 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.304 9.885 -4.612 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.776 10.367 -3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.297 10.419 -2.914 1.00 0.00 H new ATOM 1091 N LEU A 66 -5.173 12.713 -3.360 1.00 0.00 N ATOM 1092 CA LEU A 66 -6.611 13.000 -3.330 1.00 0.00 C ATOM 1093 C LEU A 66 -7.419 11.708 -3.423 1.00 0.00 C ATOM 1094 O LEU A 66 -8.093 11.313 -2.473 1.00 0.00 O ATOM 1095 CB LEU A 66 -7.015 13.930 -4.482 1.00 0.00 C ATOM 1096 CG LEU A 66 -8.181 14.815 -4.040 1.00 0.00 C ATOM 1097 CD1 LEU A 66 -7.639 16.125 -3.467 1.00 0.00 C ATOM 1098 CD2 LEU A 66 -9.075 15.116 -5.245 1.00 0.00 C ATOM 0 H LEU A 66 -4.691 12.883 -2.477 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.825 13.496 -2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.168 14.548 -4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.301 13.342 -5.354 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.761 14.298 -3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.470 16.756 -3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.001 15.911 -2.610 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.059 16.644 -4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.907 15.747 -4.932 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.494 15.634 -6.009 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.461 14.182 -5.654 1.00 0.00 H new ATOM 1110 N ASN A 67 -7.346 11.055 -4.581 1.00 0.00 N ATOM 1111 CA ASN A 67 -8.076 9.808 -4.786 1.00 0.00 C ATOM 1112 C ASN A 67 -7.186 8.610 -4.471 1.00 0.00 C ATOM 1113 O ASN A 67 -7.726 7.553 -4.192 1.00 0.00 O ATOM 1114 CB ASN A 67 -8.564 9.702 -6.234 1.00 0.00 C ATOM 1115 CG ASN A 67 -7.388 9.891 -7.186 1.00 0.00 C ATOM 1116 OD1 ASN A 67 -6.299 9.368 -6.953 1.00 0.00 O ATOM 1117 ND2 ASN A 67 -7.545 10.616 -8.260 1.00 0.00 N ATOM 1118 OXT ASN A 67 -5.978 8.768 -4.514 1.00 0.00 O ATOM 0 H ASN A 67 -6.796 11.364 -5.382 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.935 9.808 -4.114 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.028 8.730 -6.402 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.326 10.457 -6.428 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.766 10.748 -8.905 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.447 11.050 -8.455 1.00 0.00 H new TER 1125 ASN A 67