USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 783 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 80 THR OG1 : rot -47:sc= 0.564 USER MOD Set 1.2: A 83 ASN : amide:sc= 1.27 K(o=1.8,f=-18!) USER MOD Single : A 4 THR OG1 : rot -38:sc= 0.264 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS :FLIP no HD1:sc= -4.32! C(o=-8.6!,f=-4.3!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -3.76! C(o=-3.8!,f=-6!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc= -8.46! C(o=-8.5!,f=-16!) USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= -0.0946 (180deg=-0.695) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 50:sc= 1.23 USER MOD Single : A 30 ASN :FLIP amide:sc= -3.27! C(o=-4.1!,f=-3.3!) USER MOD Single : A 32 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.32) USER MOD Single : A 36 GLN : amide:sc=-0.00122 K(o=-0.0012,f=-1.2) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 90:sc= -1.92 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -24:sc= 0.321 USER MOD Single : A 57 GLN :FLIP amide:sc= 0.0093 F(o=-1,f=0.0093) USER MOD Single : A 62 CYS SG : rot 76:sc= -1.62 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 152:sc= -0.0618 (180deg=-0.524) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -175:sc= -2.5! (180deg=-2.7) USER MOD Single : A 85 GLN : amide:sc= -0.0182 K(o=-0.018,f=-1.9!) USER MOD Single : A 90 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0948) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N THR A 4 -17.540 -13.065 0.028 1.00 0.00 N ATOM 40 CA THR A 4 -17.199 -14.103 -0.992 1.00 0.00 C ATOM 41 C THR A 4 -16.544 -13.429 -2.198 1.00 0.00 C ATOM 42 O THR A 4 -16.359 -12.228 -2.225 1.00 0.00 O ATOM 43 CB THR A 4 -18.480 -14.813 -1.439 1.00 0.00 C ATOM 44 OG1 THR A 4 -19.455 -13.844 -1.799 1.00 0.00 O ATOM 45 CG2 THR A 4 -19.014 -15.676 -0.294 1.00 0.00 C ATOM 0 HA THR A 4 -16.510 -14.830 -0.561 1.00 0.00 H new ATOM 0 HB THR A 4 -18.263 -15.448 -2.298 1.00 0.00 H new ATOM 0 HG1 THR A 4 -19.404 -13.084 -1.183 1.00 0.00 H new ATOM 0 HG21 THR A 4 -19.926 -16.181 -0.613 1.00 0.00 H new ATOM 0 HG22 THR A 4 -18.265 -16.419 -0.019 1.00 0.00 H new ATOM 0 HG23 THR A 4 -19.232 -15.044 0.567 1.00 0.00 H new ATOM 53 N GLU A 5 -16.190 -14.189 -3.198 1.00 0.00 N ATOM 54 CA GLU A 5 -15.547 -13.585 -4.398 1.00 0.00 C ATOM 55 C GLU A 5 -16.357 -12.370 -4.851 1.00 0.00 C ATOM 56 O GLU A 5 -15.854 -11.266 -4.914 1.00 0.00 O ATOM 57 CB GLU A 5 -15.502 -14.618 -5.528 1.00 0.00 C ATOM 58 CG GLU A 5 -14.503 -15.720 -5.173 1.00 0.00 C ATOM 59 CD GLU A 5 -14.612 -16.856 -6.192 1.00 0.00 C ATOM 60 OE1 GLU A 5 -13.970 -16.762 -7.225 1.00 0.00 O ATOM 61 OE2 GLU A 5 -15.336 -17.800 -5.923 1.00 0.00 O ATOM 0 H GLU A 5 -16.318 -15.200 -3.236 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.532 -13.274 -4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -16.492 -15.046 -5.683 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -15.213 -14.138 -6.463 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.490 -15.319 -5.167 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.702 -16.097 -4.170 1.00 0.00 H new ATOM 68 N ILE A 6 -17.609 -12.565 -5.167 1.00 0.00 N ATOM 69 CA ILE A 6 -18.454 -11.421 -5.615 1.00 0.00 C ATOM 70 C ILE A 6 -18.240 -10.228 -4.681 1.00 0.00 C ATOM 71 O ILE A 6 -17.860 -9.156 -5.106 1.00 0.00 O ATOM 72 CB ILE A 6 -19.931 -11.831 -5.589 1.00 0.00 C ATOM 73 CG1 ILE A 6 -20.090 -13.242 -6.182 1.00 0.00 C ATOM 74 CG2 ILE A 6 -20.748 -10.834 -6.417 1.00 0.00 C ATOM 75 CD1 ILE A 6 -19.987 -14.296 -5.072 1.00 0.00 C ATOM 0 H ILE A 6 -18.083 -13.467 -5.134 1.00 0.00 H new ATOM 0 HA ILE A 6 -18.173 -11.142 -6.630 1.00 0.00 H new ATOM 0 HB ILE A 6 -20.288 -11.832 -4.559 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -21.053 -13.327 -6.686 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -19.320 -13.418 -6.933 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -21.799 -11.123 -6.401 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -20.639 -9.835 -5.995 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -20.388 -10.834 -7.446 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -20.101 -15.291 -5.503 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -19.014 -14.220 -4.587 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -20.773 -14.127 -4.336 1.00 0.00 H new ATOM 87 N GLU A 7 -18.479 -10.406 -3.409 1.00 0.00 N ATOM 88 CA GLU A 7 -18.290 -9.282 -2.447 1.00 0.00 C ATOM 89 C GLU A 7 -16.963 -8.578 -2.740 1.00 0.00 C ATOM 90 O GLU A 7 -16.928 -7.405 -3.055 1.00 0.00 O ATOM 91 CB GLU A 7 -18.275 -9.832 -1.017 1.00 0.00 C ATOM 92 CG GLU A 7 -19.711 -10.106 -0.561 1.00 0.00 C ATOM 93 CD GLU A 7 -20.390 -8.787 -0.188 1.00 0.00 C ATOM 94 OE1 GLU A 7 -19.794 -7.749 -0.421 1.00 0.00 O ATOM 95 OE2 GLU A 7 -21.495 -8.838 0.327 1.00 0.00 O ATOM 0 H GLU A 7 -18.797 -11.282 -2.995 1.00 0.00 H new ATOM 0 HA GLU A 7 -19.108 -8.570 -2.553 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -17.687 -10.749 -0.975 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.799 -9.117 -0.346 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -20.268 -10.601 -1.356 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -19.709 -10.781 0.295 1.00 0.00 H new ATOM 102 N LYS A 8 -15.871 -9.285 -2.639 1.00 0.00 N ATOM 103 CA LYS A 8 -14.545 -8.656 -2.914 1.00 0.00 C ATOM 104 C LYS A 8 -14.627 -7.818 -4.193 1.00 0.00 C ATOM 105 O LYS A 8 -14.071 -6.745 -4.275 1.00 0.00 O ATOM 106 CB LYS A 8 -13.486 -9.754 -3.088 1.00 0.00 C ATOM 107 CG LYS A 8 -12.764 -9.996 -1.760 1.00 0.00 C ATOM 108 CD LYS A 8 -11.914 -11.265 -1.861 1.00 0.00 C ATOM 109 CE LYS A 8 -10.919 -11.127 -3.016 1.00 0.00 C ATOM 110 NZ LYS A 8 -9.790 -12.079 -2.815 1.00 0.00 N ATOM 0 H LYS A 8 -15.838 -10.271 -2.378 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.270 -8.012 -2.079 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -13.958 -10.676 -3.429 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.768 -9.461 -3.854 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.132 -9.142 -1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.490 -10.096 -0.953 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -11.380 -11.432 -0.926 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.555 -12.132 -2.022 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.416 -11.330 -3.965 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.543 -10.105 -3.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.114 -11.986 -3.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.311 -11.865 -1.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -10.157 -13.052 -2.788 1.00 0.00 H new ATOM 124 N LEU A 9 -15.309 -8.300 -5.193 1.00 0.00 N ATOM 125 CA LEU A 9 -15.410 -7.522 -6.461 1.00 0.00 C ATOM 126 C LEU A 9 -16.253 -6.265 -6.231 1.00 0.00 C ATOM 127 O LEU A 9 -15.901 -5.183 -6.658 1.00 0.00 O ATOM 128 CB LEU A 9 -16.066 -8.389 -7.540 1.00 0.00 C ATOM 129 CG LEU A 9 -16.029 -7.662 -8.888 1.00 0.00 C ATOM 130 CD1 LEU A 9 -14.581 -7.547 -9.386 1.00 0.00 C ATOM 131 CD2 LEU A 9 -16.858 -8.450 -9.906 1.00 0.00 C ATOM 0 H LEU A 9 -15.799 -9.194 -5.189 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.411 -7.230 -6.786 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -15.546 -9.344 -7.618 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -17.097 -8.610 -7.264 1.00 0.00 H new ATOM 0 HG LEU A 9 -16.442 -6.661 -8.768 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.566 -7.029 -10.345 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -13.990 -6.987 -8.661 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.157 -8.544 -9.506 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -16.836 -7.938 -10.868 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -16.441 -9.451 -10.018 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -17.888 -8.523 -9.558 1.00 0.00 H new ATOM 143 N GLU A 10 -17.366 -6.398 -5.562 1.00 0.00 N ATOM 144 CA GLU A 10 -18.231 -5.211 -5.312 1.00 0.00 C ATOM 145 C GLU A 10 -17.435 -4.138 -4.562 1.00 0.00 C ATOM 146 O GLU A 10 -17.432 -2.981 -4.936 1.00 0.00 O ATOM 147 CB GLU A 10 -19.446 -5.635 -4.474 1.00 0.00 C ATOM 148 CG GLU A 10 -20.634 -5.937 -5.392 1.00 0.00 C ATOM 149 CD GLU A 10 -20.203 -6.918 -6.485 1.00 0.00 C ATOM 150 OE1 GLU A 10 -19.326 -7.722 -6.219 1.00 0.00 O ATOM 151 OE2 GLU A 10 -20.757 -6.845 -7.570 1.00 0.00 O ATOM 0 H GLU A 10 -17.713 -7.277 -5.178 1.00 0.00 H new ATOM 0 HA GLU A 10 -18.570 -4.802 -6.264 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -19.200 -6.516 -3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -19.709 -4.843 -3.773 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -21.455 -6.360 -4.813 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -21.002 -5.015 -5.842 1.00 0.00 H new ATOM 158 N ILE A 11 -16.766 -4.505 -3.503 1.00 0.00 N ATOM 159 CA ILE A 11 -15.985 -3.494 -2.734 1.00 0.00 C ATOM 160 C ILE A 11 -14.702 -3.134 -3.486 1.00 0.00 C ATOM 161 O ILE A 11 -14.536 -2.022 -3.931 1.00 0.00 O ATOM 162 CB ILE A 11 -15.630 -4.051 -1.347 1.00 0.00 C ATOM 163 CG1 ILE A 11 -15.477 -5.578 -1.417 1.00 0.00 C ATOM 164 CG2 ILE A 11 -16.736 -3.694 -0.349 1.00 0.00 C ATOM 165 CD1 ILE A 11 -14.440 -6.036 -0.385 1.00 0.00 C ATOM 0 H ILE A 11 -16.726 -5.457 -3.138 1.00 0.00 H new ATOM 0 HA ILE A 11 -16.593 -2.597 -2.618 1.00 0.00 H new ATOM 0 HB ILE A 11 -14.688 -3.611 -1.019 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -16.436 -6.059 -1.223 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.166 -5.877 -2.418 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -16.481 -4.091 0.634 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -16.835 -2.610 -0.288 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -17.680 -4.127 -0.681 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -14.331 -7.119 -0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -13.481 -5.565 -0.599 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -14.770 -5.750 0.614 1.00 0.00 H new ATOM 177 N VAL A 12 -13.791 -4.059 -3.625 1.00 0.00 N ATOM 178 CA VAL A 12 -12.513 -3.758 -4.337 1.00 0.00 C ATOM 179 C VAL A 12 -12.773 -2.859 -5.547 1.00 0.00 C ATOM 180 O VAL A 12 -11.986 -1.988 -5.861 1.00 0.00 O ATOM 181 CB VAL A 12 -11.863 -5.060 -4.806 1.00 0.00 C ATOM 182 CG1 VAL A 12 -10.555 -4.743 -5.534 1.00 0.00 C ATOM 183 CG2 VAL A 12 -11.569 -5.951 -3.596 1.00 0.00 C ATOM 0 H VAL A 12 -13.876 -5.013 -3.275 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.846 -3.241 -3.647 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.541 -5.580 -5.483 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.091 -5.671 -5.869 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.763 -4.109 -6.396 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.878 -4.223 -4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.106 -6.879 -3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.892 -5.432 -2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.500 -6.178 -3.076 1.00 0.00 H new ATOM 193 N LYS A 13 -13.848 -3.071 -6.246 1.00 0.00 N ATOM 194 CA LYS A 13 -14.122 -2.232 -7.443 1.00 0.00 C ATOM 195 C LYS A 13 -14.767 -0.890 -7.061 1.00 0.00 C ATOM 196 O LYS A 13 -14.485 0.130 -7.657 1.00 0.00 O ATOM 197 CB LYS A 13 -15.051 -2.994 -8.395 1.00 0.00 C ATOM 198 CG LYS A 13 -15.222 -2.208 -9.707 1.00 0.00 C ATOM 199 CD LYS A 13 -16.568 -1.475 -9.706 1.00 0.00 C ATOM 200 CE LYS A 13 -16.738 -0.719 -11.024 1.00 0.00 C ATOM 201 NZ LYS A 13 -18.036 0.013 -11.013 1.00 0.00 N ATOM 0 H LYS A 13 -14.547 -3.785 -6.043 1.00 0.00 H new ATOM 0 HA LYS A 13 -13.171 -2.019 -7.932 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -14.640 -3.981 -8.604 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.022 -3.146 -7.924 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -14.408 -1.492 -9.820 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.169 -2.888 -10.558 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.382 -2.188 -9.576 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -16.615 -0.780 -8.867 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.914 -0.019 -11.163 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -16.708 -1.416 -11.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -18.152 0.527 -11.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -18.816 -0.665 -10.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -18.047 0.689 -10.222 1.00 0.00 H new ATOM 215 N ASP A 14 -15.662 -0.884 -6.112 1.00 0.00 N ATOM 216 CA ASP A 14 -16.355 0.391 -5.743 1.00 0.00 C ATOM 217 C ASP A 14 -15.509 1.270 -4.805 1.00 0.00 C ATOM 218 O ASP A 14 -15.518 2.479 -4.913 1.00 0.00 O ATOM 219 CB ASP A 14 -17.677 0.055 -5.048 1.00 0.00 C ATOM 220 CG ASP A 14 -18.490 1.334 -4.848 1.00 0.00 C ATOM 221 OD1 ASP A 14 -19.110 1.772 -5.803 1.00 0.00 O ATOM 222 OD2 ASP A 14 -18.480 1.853 -3.745 1.00 0.00 O ATOM 0 H ASP A 14 -15.946 -1.703 -5.575 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.523 0.953 -6.662 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -18.243 -0.658 -5.647 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -17.484 -0.419 -4.086 1.00 0.00 H new ATOM 227 N HIS A 15 -14.825 0.689 -3.860 1.00 0.00 N ATOM 228 CA HIS A 15 -14.034 1.507 -2.889 1.00 0.00 C ATOM 229 C HIS A 15 -12.773 2.117 -3.528 1.00 0.00 C ATOM 230 O HIS A 15 -12.391 3.225 -3.206 1.00 0.00 O ATOM 231 CB HIS A 15 -13.636 0.630 -1.694 1.00 0.00 C ATOM 232 CG HIS A 15 -12.349 -0.094 -1.988 1.00 0.00 C ATOM 233 ND1 HIS A 15 -11.944 -0.842 -3.063 1.00 0.00 N flip ATOM 234 CD2 HIS A 15 -11.281 -0.091 -1.102 1.00 0.00 C flip ATOM 235 CE1 HIS A 15 -10.647 -1.296 -2.849 1.00 0.00 C flip ATOM 236 NE2 HIS A 15 -10.293 -0.817 -1.656 1.00 0.00 N flip ATOM 0 H HIS A 15 -14.777 -0.319 -3.715 1.00 0.00 H new ATOM 0 HA HIS A 15 -14.664 2.334 -2.562 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -13.520 1.247 -0.803 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -14.427 -0.090 -1.482 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -11.249 0.404 -0.143 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.052 -1.908 -3.510 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -9.386 -0.981 -1.218 1.00 0.00 H new ATOM 245 N LEU A 16 -12.100 1.399 -4.386 1.00 0.00 N ATOM 246 CA LEU A 16 -10.839 1.936 -4.993 1.00 0.00 C ATOM 247 C LEU A 16 -10.942 3.438 -5.296 1.00 0.00 C ATOM 248 O LEU A 16 -9.978 4.165 -5.159 1.00 0.00 O ATOM 249 CB LEU A 16 -10.503 1.179 -6.288 1.00 0.00 C ATOM 250 CG LEU A 16 -11.717 1.146 -7.235 1.00 0.00 C ATOM 251 CD1 LEU A 16 -11.868 2.486 -7.977 1.00 0.00 C ATOM 252 CD2 LEU A 16 -11.520 0.028 -8.265 1.00 0.00 C ATOM 0 H LEU A 16 -12.365 0.464 -4.695 1.00 0.00 H new ATOM 0 HA LEU A 16 -10.044 1.789 -4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.661 1.659 -6.786 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.195 0.161 -6.050 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.615 0.968 -6.644 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -12.732 2.439 -8.640 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.009 3.289 -7.253 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.970 2.680 -8.564 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.376 -0.001 -8.939 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.613 0.218 -8.839 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.431 -0.929 -7.751 1.00 0.00 H new ATOM 264 N LEU A 17 -12.073 3.914 -5.739 1.00 0.00 N ATOM 265 CA LEU A 17 -12.178 5.367 -6.081 1.00 0.00 C ATOM 266 C LEU A 17 -12.282 6.232 -4.812 1.00 0.00 C ATOM 267 O LEU A 17 -11.385 6.992 -4.512 1.00 0.00 O ATOM 268 CB LEU A 17 -13.402 5.595 -6.984 1.00 0.00 C ATOM 269 CG LEU A 17 -12.964 5.679 -8.456 1.00 0.00 C ATOM 270 CD1 LEU A 17 -14.144 5.323 -9.364 1.00 0.00 C ATOM 271 CD2 LEU A 17 -12.497 7.102 -8.772 1.00 0.00 C ATOM 0 H LEU A 17 -12.923 3.369 -5.879 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.274 5.664 -6.612 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.116 4.781 -6.855 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -13.911 6.514 -6.695 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.146 4.979 -8.628 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -13.832 5.383 -10.407 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.480 4.310 -9.144 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.962 6.022 -9.189 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.187 7.160 -9.815 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.315 7.801 -8.597 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.656 7.360 -8.129 1.00 0.00 H new ATOM 283 N PRO A 18 -13.368 6.142 -4.084 1.00 0.00 N ATOM 284 CA PRO A 18 -13.579 6.963 -2.849 1.00 0.00 C ATOM 285 C PRO A 18 -12.553 6.667 -1.749 1.00 0.00 C ATOM 286 O PRO A 18 -11.961 7.565 -1.184 1.00 0.00 O ATOM 287 CB PRO A 18 -14.988 6.574 -2.383 1.00 0.00 C ATOM 288 CG PRO A 18 -15.249 5.245 -3.003 1.00 0.00 C ATOM 289 CD PRO A 18 -14.512 5.255 -4.339 1.00 0.00 C ATOM 0 HA PRO A 18 -13.463 8.026 -3.059 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.042 6.519 -1.296 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.726 7.310 -2.702 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.889 4.439 -2.364 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.317 5.084 -3.147 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -14.190 4.255 -4.629 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.143 5.632 -5.144 1.00 0.00 H new ATOM 297 N LYS A 19 -12.349 5.421 -1.426 1.00 0.00 N ATOM 298 CA LYS A 19 -11.376 5.083 -0.348 1.00 0.00 C ATOM 299 C LYS A 19 -10.052 5.813 -0.594 1.00 0.00 C ATOM 300 O LYS A 19 -9.607 6.600 0.217 1.00 0.00 O ATOM 301 CB LYS A 19 -11.137 3.570 -0.332 1.00 0.00 C ATOM 302 CG LYS A 19 -10.549 3.149 1.021 1.00 0.00 C ATOM 303 CD LYS A 19 -11.585 3.361 2.139 1.00 0.00 C ATOM 304 CE LYS A 19 -11.438 2.268 3.201 1.00 0.00 C ATOM 305 NZ LYS A 19 -12.063 2.725 4.475 1.00 0.00 N ATOM 0 H LYS A 19 -12.812 4.623 -1.860 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.781 5.396 0.614 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.074 3.043 -0.511 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.456 3.292 -1.137 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.250 2.101 0.986 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.651 3.730 1.232 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.447 4.342 2.593 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.592 3.342 1.722 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.913 1.348 2.860 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.384 2.041 3.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.963 1.983 5.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.590 3.592 4.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.072 2.920 4.316 1.00 0.00 H new ATOM 319 N GLN A 20 -9.417 5.555 -1.704 1.00 0.00 N ATOM 320 CA GLN A 20 -8.121 6.230 -1.997 1.00 0.00 C ATOM 321 C GLN A 20 -8.336 7.740 -2.126 1.00 0.00 C ATOM 322 O GLN A 20 -7.711 8.523 -1.443 1.00 0.00 O ATOM 323 CB GLN A 20 -7.552 5.678 -3.307 1.00 0.00 C ATOM 324 CG GLN A 20 -6.915 4.308 -3.057 1.00 0.00 C ATOM 325 CD GLN A 20 -7.833 3.461 -2.170 1.00 0.00 C ATOM 326 OE1 GLN A 20 -8.701 2.768 -2.661 1.00 0.00 O ATOM 327 NE2 GLN A 20 -7.673 3.488 -0.875 1.00 0.00 N ATOM 0 H GLN A 20 -9.740 4.906 -2.421 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.422 6.040 -1.183 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.344 5.591 -4.051 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.810 6.367 -3.711 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.741 3.800 -4.005 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.944 4.431 -2.578 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.944 4.070 -0.463 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.277 2.927 -0.275 1.00 0.00 H new ATOM 336 N ILE A 21 -9.210 8.153 -2.998 1.00 0.00 N ATOM 337 CA ILE A 21 -9.460 9.614 -3.182 1.00 0.00 C ATOM 338 C ILE A 21 -9.572 10.312 -1.821 1.00 0.00 C ATOM 339 O ILE A 21 -9.133 11.427 -1.662 1.00 0.00 O ATOM 340 CB ILE A 21 -10.757 9.821 -3.978 1.00 0.00 C ATOM 341 CG1 ILE A 21 -10.489 9.598 -5.477 1.00 0.00 C ATOM 342 CG2 ILE A 21 -11.290 11.241 -3.758 1.00 0.00 C ATOM 343 CD1 ILE A 21 -9.468 10.619 -6.004 1.00 0.00 C ATOM 0 H ILE A 21 -9.766 7.541 -3.595 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.624 10.047 -3.731 1.00 0.00 H new ATOM 0 HB ILE A 21 -11.501 9.104 -3.632 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -10.116 8.587 -5.638 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -11.421 9.687 -6.035 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.210 11.377 -4.327 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.493 11.393 -2.698 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.546 11.965 -4.092 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.293 10.444 -7.065 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -9.856 11.628 -5.862 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.530 10.511 -5.459 1.00 0.00 H new ATOM 355 N LYS A 22 -10.178 9.689 -0.851 1.00 0.00 N ATOM 356 CA LYS A 22 -10.328 10.360 0.475 1.00 0.00 C ATOM 357 C LYS A 22 -8.976 10.466 1.190 1.00 0.00 C ATOM 358 O LYS A 22 -8.332 11.502 1.171 1.00 0.00 O ATOM 359 CB LYS A 22 -11.303 9.557 1.339 1.00 0.00 C ATOM 360 CG LYS A 22 -11.628 10.337 2.614 1.00 0.00 C ATOM 361 CD LYS A 22 -12.862 9.728 3.282 1.00 0.00 C ATOM 362 CE LYS A 22 -13.160 10.473 4.585 1.00 0.00 C ATOM 363 NZ LYS A 22 -14.167 9.709 5.374 1.00 0.00 N ATOM 0 H LYS A 22 -10.574 8.751 -0.914 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.712 11.367 0.316 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.218 9.357 0.781 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.867 8.591 1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.779 10.308 3.297 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.810 11.385 2.376 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.719 9.790 2.611 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.693 8.671 3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.245 10.595 5.164 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.535 11.473 4.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.370 10.215 6.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.042 9.614 4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.792 8.764 5.593 1.00 0.00 H new ATOM 377 N GLU A 23 -8.546 9.411 1.827 1.00 0.00 N ATOM 378 CA GLU A 23 -7.241 9.452 2.551 1.00 0.00 C ATOM 379 C GLU A 23 -6.208 10.171 1.687 1.00 0.00 C ATOM 380 O GLU A 23 -5.394 10.932 2.171 1.00 0.00 O ATOM 381 CB GLU A 23 -6.768 8.024 2.835 1.00 0.00 C ATOM 382 CG GLU A 23 -7.918 7.208 3.430 1.00 0.00 C ATOM 383 CD GLU A 23 -8.493 7.941 4.644 1.00 0.00 C ATOM 384 OE1 GLU A 23 -9.388 8.747 4.454 1.00 0.00 O ATOM 385 OE2 GLU A 23 -8.027 7.684 5.741 1.00 0.00 O ATOM 0 H GLU A 23 -9.042 8.521 1.878 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.363 9.985 3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.416 7.557 1.915 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.925 8.040 3.526 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.696 7.057 2.681 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.563 6.220 3.724 1.00 0.00 H new ATOM 392 N HIS A 24 -6.244 9.934 0.409 1.00 0.00 N ATOM 393 CA HIS A 24 -5.279 10.596 -0.509 1.00 0.00 C ATOM 394 C HIS A 24 -5.778 12.008 -0.821 1.00 0.00 C ATOM 395 O HIS A 24 -5.011 12.943 -0.909 1.00 0.00 O ATOM 396 CB HIS A 24 -5.159 9.777 -1.796 1.00 0.00 C ATOM 397 CG HIS A 24 -4.900 8.336 -1.439 1.00 0.00 C ATOM 398 ND1 HIS A 24 -5.523 7.714 -0.364 1.00 0.00 N ATOM 399 CD2 HIS A 24 -4.079 7.385 -1.994 1.00 0.00 C ATOM 400 CE1 HIS A 24 -5.068 6.448 -0.308 1.00 0.00 C ATOM 401 NE2 HIS A 24 -4.188 6.200 -1.276 1.00 0.00 N ATOM 0 H HIS A 24 -6.906 9.304 -0.044 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.297 10.659 -0.040 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -6.074 9.861 -2.382 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -4.348 10.163 -2.414 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.446 7.535 -2.856 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -5.378 5.724 0.430 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.697 5.324 -1.453 1.00 0.00 H new ATOM 410 N GLY A 25 -7.066 12.159 -0.985 1.00 0.00 N ATOM 411 CA GLY A 25 -7.647 13.503 -1.285 1.00 0.00 C ATOM 412 C GLY A 25 -6.938 14.572 -0.455 1.00 0.00 C ATOM 413 O GLY A 25 -6.713 15.673 -0.914 1.00 0.00 O ATOM 0 H GLY A 25 -7.747 11.402 -0.924 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.542 13.726 -2.347 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.714 13.506 -1.063 1.00 0.00 H new ATOM 417 N LEU A 26 -6.599 14.258 0.768 1.00 0.00 N ATOM 418 CA LEU A 26 -5.914 15.264 1.637 1.00 0.00 C ATOM 419 C LEU A 26 -4.938 16.090 0.791 1.00 0.00 C ATOM 420 O LEU A 26 -4.828 17.289 0.950 1.00 0.00 O ATOM 421 CB LEU A 26 -5.143 14.545 2.748 1.00 0.00 C ATOM 422 CG LEU A 26 -6.084 13.607 3.510 1.00 0.00 C ATOM 423 CD1 LEU A 26 -5.290 12.845 4.574 1.00 0.00 C ATOM 424 CD2 LEU A 26 -7.192 14.423 4.185 1.00 0.00 C ATOM 0 H LEU A 26 -6.766 13.351 1.203 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.659 15.923 2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.316 13.977 2.321 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.709 15.274 3.432 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.532 12.900 2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.958 12.177 5.117 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.505 12.261 4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.841 13.554 5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.860 13.752 4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.748 15.133 4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.758 14.965 3.427 1.00 0.00 H new ATOM 436 N LYS A 27 -4.247 15.461 -0.122 1.00 0.00 N ATOM 437 CA LYS A 27 -3.300 16.211 -0.997 1.00 0.00 C ATOM 438 C LYS A 27 -3.995 16.487 -2.333 1.00 0.00 C ATOM 439 O LYS A 27 -5.050 15.954 -2.611 1.00 0.00 O ATOM 440 CB LYS A 27 -2.041 15.364 -1.233 1.00 0.00 C ATOM 441 CG LYS A 27 -1.011 15.649 -0.133 1.00 0.00 C ATOM 442 CD LYS A 27 -1.598 15.277 1.229 1.00 0.00 C ATOM 443 CE LYS A 27 -0.530 15.453 2.310 1.00 0.00 C ATOM 444 NZ LYS A 27 0.593 14.506 2.059 1.00 0.00 N ATOM 0 H LYS A 27 -4.298 14.458 -0.300 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.011 17.150 -0.525 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.299 14.305 -1.237 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.616 15.592 -2.210 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.101 15.078 -0.316 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.734 16.703 -0.145 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.461 15.906 1.449 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.951 14.246 1.216 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.162 16.479 2.309 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.961 15.270 3.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.107 14.334 2.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.215 13.607 1.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.242 14.915 1.356 1.00 0.00 H new ATOM 458 N LYS A 28 -3.419 17.314 -3.164 1.00 0.00 N ATOM 459 CA LYS A 28 -4.063 17.610 -4.477 1.00 0.00 C ATOM 460 C LYS A 28 -4.510 16.300 -5.132 1.00 0.00 C ATOM 461 O LYS A 28 -3.982 15.244 -4.846 1.00 0.00 O ATOM 462 CB LYS A 28 -3.062 18.326 -5.389 1.00 0.00 C ATOM 463 CG LYS A 28 -3.609 18.371 -6.820 1.00 0.00 C ATOM 464 CD LYS A 28 -2.907 19.482 -7.603 1.00 0.00 C ATOM 465 CE LYS A 28 -1.393 19.286 -7.524 1.00 0.00 C ATOM 466 NZ LYS A 28 -0.728 20.150 -8.540 1.00 0.00 N ATOM 0 H LYS A 28 -2.536 17.795 -2.992 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.930 18.251 -4.320 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.883 19.338 -5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.104 17.807 -5.372 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.451 17.411 -7.311 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.684 18.548 -6.804 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.232 19.469 -8.643 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.180 20.456 -7.196 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.034 19.538 -6.526 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.141 18.240 -7.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.302 20.018 -8.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.063 19.890 -9.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.959 21.147 -8.353 1.00 0.00 H new ATOM 480 N SER A 29 -5.478 16.359 -6.008 1.00 0.00 N ATOM 481 CA SER A 29 -5.953 15.115 -6.679 1.00 0.00 C ATOM 482 C SER A 29 -4.745 14.310 -7.160 1.00 0.00 C ATOM 483 O SER A 29 -4.248 14.511 -8.249 1.00 0.00 O ATOM 484 CB SER A 29 -6.830 15.482 -7.876 1.00 0.00 C ATOM 485 OG SER A 29 -6.058 16.217 -8.818 1.00 0.00 O ATOM 0 H SER A 29 -5.959 17.214 -6.287 1.00 0.00 H new ATOM 0 HA SER A 29 -6.534 14.519 -5.975 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.228 14.579 -8.340 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.684 16.074 -7.547 1.00 0.00 H new ATOM 0 HG SER A 29 -5.222 15.739 -9.000 1.00 0.00 H new ATOM 491 N ASN A 30 -4.263 13.407 -6.345 1.00 0.00 N ATOM 492 CA ASN A 30 -3.075 12.594 -6.739 1.00 0.00 C ATOM 493 C ASN A 30 -3.479 11.126 -6.914 1.00 0.00 C ATOM 494 O ASN A 30 -2.988 10.252 -6.228 1.00 0.00 O ATOM 495 CB ASN A 30 -2.007 12.713 -5.643 1.00 0.00 C ATOM 496 CG ASN A 30 -0.618 12.495 -6.246 1.00 0.00 C ATOM 497 OD1 ASN A 30 0.285 11.850 -5.560 1.00 0.00 O flip ATOM 498 ND2 ASN A 30 -0.350 12.919 -7.353 1.00 0.00 N flip ATOM 0 H ASN A 30 -4.642 13.198 -5.422 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.677 12.961 -7.685 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.060 13.696 -5.176 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.193 11.978 -4.860 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.055 13.423 -7.890 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.580 12.770 -7.745 1.00 0.00 H new ATOM 505 N LEU A 31 -4.365 10.848 -7.830 1.00 0.00 N ATOM 506 CA LEU A 31 -4.791 9.437 -8.048 1.00 0.00 C ATOM 507 C LEU A 31 -5.439 9.297 -9.428 1.00 0.00 C ATOM 508 O LEU A 31 -6.404 9.967 -9.740 1.00 0.00 O ATOM 509 CB LEU A 31 -5.803 9.038 -6.970 1.00 0.00 C ATOM 510 CG LEU A 31 -5.859 7.507 -6.848 1.00 0.00 C ATOM 511 CD1 LEU A 31 -4.779 7.023 -5.875 1.00 0.00 C ATOM 512 CD2 LEU A 31 -7.235 7.087 -6.326 1.00 0.00 C ATOM 0 H LEU A 31 -4.812 11.536 -8.436 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.918 8.786 -7.992 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.521 9.478 -6.013 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.789 9.428 -7.222 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.687 7.063 -7.829 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.824 5.937 -5.793 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.797 7.319 -6.245 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.947 7.468 -4.894 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.275 6.001 -6.239 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.405 7.536 -5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.006 7.424 -7.019 1.00 0.00 H new ATOM 524 N GLN A 32 -4.923 8.428 -10.253 1.00 0.00 N ATOM 525 CA GLN A 32 -5.517 8.236 -11.609 1.00 0.00 C ATOM 526 C GLN A 32 -5.411 6.759 -11.993 1.00 0.00 C ATOM 527 O GLN A 32 -4.735 6.393 -12.933 1.00 0.00 O ATOM 528 CB GLN A 32 -4.761 9.103 -12.628 1.00 0.00 C ATOM 529 CG GLN A 32 -5.478 10.446 -12.798 1.00 0.00 C ATOM 530 CD GLN A 32 -6.797 10.229 -13.542 1.00 0.00 C ATOM 531 OE1 GLN A 32 -7.859 10.317 -12.957 1.00 0.00 O ATOM 532 NE2 GLN A 32 -6.775 9.946 -14.815 1.00 0.00 N ATOM 0 H GLN A 32 -4.114 7.841 -10.048 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.565 8.534 -11.603 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.737 9.267 -12.292 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.703 8.587 -13.586 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.668 10.895 -11.823 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.846 11.140 -13.351 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.884 9.872 -15.306 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.649 9.799 -15.320 1.00 0.00 H new ATOM 541 N LEU A 33 -6.076 5.907 -11.263 1.00 0.00 N ATOM 542 CA LEU A 33 -6.021 4.451 -11.571 1.00 0.00 C ATOM 543 C LEU A 33 -7.256 4.050 -12.376 1.00 0.00 C ATOM 544 O LEU A 33 -8.187 4.815 -12.531 1.00 0.00 O ATOM 545 CB LEU A 33 -5.977 3.653 -10.261 1.00 0.00 C ATOM 546 CG LEU A 33 -7.177 4.022 -9.375 1.00 0.00 C ATOM 547 CD1 LEU A 33 -8.454 3.334 -9.886 1.00 0.00 C ATOM 548 CD2 LEU A 33 -6.895 3.574 -7.937 1.00 0.00 C ATOM 0 H LEU A 33 -6.657 6.158 -10.463 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.126 4.237 -12.156 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.990 2.585 -10.477 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.047 3.860 -9.731 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.325 5.101 -9.408 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.294 3.606 -9.247 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.656 3.655 -10.908 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.318 2.253 -9.866 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.743 3.833 -7.302 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.742 2.495 -7.915 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.000 4.075 -7.569 1.00 0.00 H new ATOM 560 N ARG A 34 -7.265 2.852 -12.891 1.00 0.00 N ATOM 561 CA ARG A 34 -8.432 2.380 -13.692 1.00 0.00 C ATOM 562 C ARG A 34 -8.825 0.974 -13.232 1.00 0.00 C ATOM 563 O ARG A 34 -8.029 0.253 -12.663 1.00 0.00 O ATOM 564 CB ARG A 34 -8.049 2.342 -15.175 1.00 0.00 C ATOM 565 CG ARG A 34 -8.043 3.765 -15.739 1.00 0.00 C ATOM 566 CD ARG A 34 -7.755 3.721 -17.243 1.00 0.00 C ATOM 567 NE ARG A 34 -8.165 5.010 -17.866 1.00 0.00 N ATOM 568 CZ ARG A 34 -8.008 5.195 -19.148 1.00 0.00 C ATOM 569 NH1 ARG A 34 -7.488 4.252 -19.886 1.00 0.00 N ATOM 570 NH2 ARG A 34 -8.371 6.323 -19.695 1.00 0.00 N ATOM 0 H ARG A 34 -6.509 2.174 -12.791 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.272 3.060 -13.550 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.066 1.888 -15.296 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.756 1.723 -15.728 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.005 4.243 -15.557 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.288 4.365 -15.231 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.694 3.543 -17.416 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.296 2.894 -17.703 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.569 5.749 -17.290 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.204 3.370 -19.460 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.366 4.398 -20.888 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.778 7.061 -19.120 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.248 6.467 -20.697 1.00 0.00 H new ATOM 584 N ASP A 35 -10.046 0.579 -13.472 1.00 0.00 N ATOM 585 CA ASP A 35 -10.487 -0.781 -13.046 1.00 0.00 C ATOM 586 C ASP A 35 -9.434 -1.811 -13.459 1.00 0.00 C ATOM 587 O ASP A 35 -9.005 -2.626 -12.668 1.00 0.00 O ATOM 588 CB ASP A 35 -11.820 -1.118 -13.717 1.00 0.00 C ATOM 589 CG ASP A 35 -12.922 -0.225 -13.143 1.00 0.00 C ATOM 590 OD1 ASP A 35 -13.443 -0.564 -12.093 1.00 0.00 O ATOM 591 OD2 ASP A 35 -13.225 0.780 -13.762 1.00 0.00 O ATOM 0 H ASP A 35 -10.757 1.138 -13.944 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.610 -0.801 -11.963 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.744 -0.972 -14.794 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.066 -2.167 -13.554 1.00 0.00 H new ATOM 596 N GLN A 36 -9.012 -1.778 -14.693 1.00 0.00 N ATOM 597 CA GLN A 36 -7.984 -2.753 -15.155 1.00 0.00 C ATOM 598 C GLN A 36 -6.770 -2.689 -14.224 1.00 0.00 C ATOM 599 O GLN A 36 -6.181 -3.697 -13.888 1.00 0.00 O ATOM 600 CB GLN A 36 -7.553 -2.402 -16.581 1.00 0.00 C ATOM 601 CG GLN A 36 -6.989 -0.979 -16.607 1.00 0.00 C ATOM 602 CD GLN A 36 -6.886 -0.497 -18.056 1.00 0.00 C ATOM 603 OE1 GLN A 36 -7.314 0.594 -18.376 1.00 0.00 O ATOM 604 NE2 GLN A 36 -6.333 -1.269 -18.951 1.00 0.00 N ATOM 0 H GLN A 36 -9.334 -1.118 -15.401 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.402 -3.759 -15.140 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.801 -3.109 -16.930 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.403 -2.480 -17.259 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.633 -0.311 -16.035 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.007 -0.957 -16.135 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.974 -2.185 -18.682 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.260 -0.956 -19.919 1.00 0.00 H new ATOM 613 N ALA A 37 -6.394 -1.511 -13.808 1.00 0.00 N ATOM 614 CA ALA A 37 -5.219 -1.382 -12.900 1.00 0.00 C ATOM 615 C ALA A 37 -5.419 -2.269 -11.669 1.00 0.00 C ATOM 616 O ALA A 37 -4.808 -3.310 -11.539 1.00 0.00 O ATOM 617 CB ALA A 37 -5.074 0.077 -12.460 1.00 0.00 C ATOM 0 H ALA A 37 -6.849 -0.633 -14.057 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.318 -1.696 -13.427 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.215 0.173 -11.796 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.928 0.708 -13.336 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.976 0.390 -11.934 1.00 0.00 H new ATOM 623 N ILE A 38 -6.272 -1.861 -10.767 1.00 0.00 N ATOM 624 CA ILE A 38 -6.519 -2.673 -9.537 1.00 0.00 C ATOM 625 C ILE A 38 -6.586 -4.160 -9.905 1.00 0.00 C ATOM 626 O ILE A 38 -6.043 -5.003 -9.219 1.00 0.00 O ATOM 627 CB ILE A 38 -7.848 -2.240 -8.905 1.00 0.00 C ATOM 628 CG1 ILE A 38 -7.682 -0.861 -8.246 1.00 0.00 C ATOM 629 CG2 ILE A 38 -8.285 -3.271 -7.857 1.00 0.00 C ATOM 630 CD1 ILE A 38 -7.191 -1.019 -6.803 1.00 0.00 C ATOM 0 H ILE A 38 -6.811 -0.997 -10.829 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.707 -2.516 -8.827 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.612 -2.176 -9.680 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.972 -0.261 -8.816 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.632 -0.327 -8.258 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.229 -2.959 -7.411 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.413 -4.243 -8.334 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.524 -3.345 -7.080 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.077 -0.035 -6.348 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -7.916 -1.601 -6.234 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.230 -1.533 -6.800 1.00 0.00 H new ATOM 642 N LEU A 39 -7.244 -4.487 -10.983 1.00 0.00 N ATOM 643 CA LEU A 39 -7.340 -5.917 -11.390 1.00 0.00 C ATOM 644 C LEU A 39 -5.932 -6.503 -11.501 1.00 0.00 C ATOM 645 O LEU A 39 -5.644 -7.562 -10.979 1.00 0.00 O ATOM 646 CB LEU A 39 -8.054 -6.014 -12.750 1.00 0.00 C ATOM 647 CG LEU A 39 -9.503 -6.480 -12.553 1.00 0.00 C ATOM 648 CD1 LEU A 39 -10.338 -6.086 -13.773 1.00 0.00 C ATOM 649 CD2 LEU A 39 -9.536 -8.003 -12.388 1.00 0.00 C ATOM 0 H LEU A 39 -7.719 -3.827 -11.599 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.908 -6.476 -10.646 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.040 -5.044 -13.247 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.524 -6.712 -13.399 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.914 -6.008 -11.661 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.367 -6.417 -13.632 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.319 -5.003 -13.893 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.924 -6.557 -14.665 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.566 -8.332 -12.248 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.122 -8.475 -13.279 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.943 -8.288 -11.519 1.00 0.00 H new ATOM 661 N ASP A 40 -5.053 -5.823 -12.177 1.00 0.00 N ATOM 662 CA ASP A 40 -3.663 -6.335 -12.324 1.00 0.00 C ATOM 663 C ASP A 40 -3.002 -6.430 -10.947 1.00 0.00 C ATOM 664 O ASP A 40 -2.280 -7.363 -10.658 1.00 0.00 O ATOM 665 CB ASP A 40 -2.860 -5.382 -13.212 1.00 0.00 C ATOM 666 CG ASP A 40 -3.401 -5.440 -14.641 1.00 0.00 C ATOM 667 OD1 ASP A 40 -3.117 -6.411 -15.323 1.00 0.00 O ATOM 668 OD2 ASP A 40 -4.091 -4.512 -15.031 1.00 0.00 O ATOM 0 H ASP A 40 -5.237 -4.931 -12.636 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.688 -7.324 -12.781 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.928 -4.365 -12.827 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.805 -5.658 -13.199 1.00 0.00 H new ATOM 673 N ILE A 41 -3.239 -5.469 -10.097 1.00 0.00 N ATOM 674 CA ILE A 41 -2.618 -5.503 -8.741 1.00 0.00 C ATOM 675 C ILE A 41 -2.993 -6.807 -8.030 1.00 0.00 C ATOM 676 O ILE A 41 -2.148 -7.636 -7.753 1.00 0.00 O ATOM 677 CB ILE A 41 -3.119 -4.313 -7.922 1.00 0.00 C ATOM 678 CG1 ILE A 41 -2.924 -3.025 -8.730 1.00 0.00 C ATOM 679 CG2 ILE A 41 -2.328 -4.220 -6.615 1.00 0.00 C ATOM 680 CD1 ILE A 41 -3.272 -1.811 -7.864 1.00 0.00 C ATOM 0 H ILE A 41 -3.835 -4.662 -10.282 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.534 -5.448 -8.841 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.177 -4.447 -7.695 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.892 -2.954 -9.074 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.556 -3.043 -9.618 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.686 -3.371 -6.032 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.464 -5.137 -6.042 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.270 -4.085 -6.839 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.132 -0.898 -8.443 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.311 -1.880 -7.542 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.622 -1.789 -6.990 1.00 0.00 H new ATOM 692 N ILE A 42 -4.247 -6.990 -7.724 1.00 0.00 N ATOM 693 CA ILE A 42 -4.669 -8.231 -7.022 1.00 0.00 C ATOM 694 C ILE A 42 -4.314 -9.460 -7.865 1.00 0.00 C ATOM 695 O ILE A 42 -3.845 -10.455 -7.354 1.00 0.00 O ATOM 696 CB ILE A 42 -6.179 -8.179 -6.792 1.00 0.00 C ATOM 697 CG1 ILE A 42 -6.906 -8.163 -8.141 1.00 0.00 C ATOM 698 CG2 ILE A 42 -6.529 -6.913 -6.006 1.00 0.00 C ATOM 699 CD1 ILE A 42 -8.386 -7.833 -7.929 1.00 0.00 C ATOM 0 H ILE A 42 -4.998 -6.332 -7.931 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.151 -8.304 -6.066 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.491 -9.057 -6.227 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.450 -7.425 -8.801 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.806 -9.132 -8.630 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.606 -6.873 -5.841 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.015 -6.927 -5.045 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.216 -6.035 -6.572 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.898 -7.823 -8.891 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.838 -8.587 -7.285 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -8.477 -6.853 -7.459 1.00 0.00 H new ATOM 711 N ARG A 43 -4.533 -9.403 -9.149 1.00 0.00 N ATOM 712 CA ARG A 43 -4.207 -10.576 -10.012 1.00 0.00 C ATOM 713 C ARG A 43 -2.728 -10.944 -9.856 1.00 0.00 C ATOM 714 O ARG A 43 -2.367 -12.104 -9.830 1.00 0.00 O ATOM 715 CB ARG A 43 -4.491 -10.230 -11.477 1.00 0.00 C ATOM 716 CG ARG A 43 -4.414 -11.500 -12.333 1.00 0.00 C ATOM 717 CD ARG A 43 -4.107 -11.125 -13.786 1.00 0.00 C ATOM 718 NE ARG A 43 -5.099 -10.122 -14.263 1.00 0.00 N ATOM 719 CZ ARG A 43 -5.107 -9.756 -15.517 1.00 0.00 C ATOM 720 NH1 ARG A 43 -4.245 -10.272 -16.351 1.00 0.00 N ATOM 721 NH2 ARG A 43 -5.974 -8.876 -15.934 1.00 0.00 N ATOM 0 H ARG A 43 -4.923 -8.598 -9.639 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.823 -11.423 -9.709 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.478 -9.777 -11.569 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.769 -9.495 -11.834 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.640 -12.164 -11.947 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.357 -12.044 -12.279 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.098 -10.719 -13.862 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.141 -12.013 -14.417 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.772 -9.721 -13.610 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.567 -10.960 -16.023 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.250 -9.987 -17.330 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.646 -8.473 -15.281 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.980 -8.590 -16.913 1.00 0.00 H new ATOM 735 N TYR A 44 -1.871 -9.967 -9.765 1.00 0.00 N ATOM 736 CA TYR A 44 -0.415 -10.257 -9.626 1.00 0.00 C ATOM 737 C TYR A 44 -0.163 -11.028 -8.329 1.00 0.00 C ATOM 738 O TYR A 44 0.641 -11.938 -8.284 1.00 0.00 O ATOM 739 CB TYR A 44 0.361 -8.937 -9.594 1.00 0.00 C ATOM 740 CG TYR A 44 0.678 -8.493 -11.003 1.00 0.00 C ATOM 741 CD1 TYR A 44 -0.263 -8.671 -12.026 1.00 0.00 C ATOM 742 CD2 TYR A 44 1.915 -7.904 -11.285 1.00 0.00 C ATOM 743 CE1 TYR A 44 0.035 -8.259 -13.329 1.00 0.00 C ATOM 744 CE2 TYR A 44 2.213 -7.492 -12.589 1.00 0.00 C ATOM 745 CZ TYR A 44 1.272 -7.670 -13.611 1.00 0.00 C ATOM 746 OH TYR A 44 1.566 -7.264 -14.898 1.00 0.00 O ATOM 0 H TYR A 44 -2.115 -8.977 -9.781 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.082 -10.859 -10.471 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.226 -8.172 -9.086 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.283 -9.061 -9.026 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.218 -9.126 -11.808 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.640 -7.767 -10.496 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.690 -8.396 -14.118 1.00 0.00 H new ATOM 0 HE2 TYR A 44 3.168 -7.037 -12.807 1.00 0.00 H new ATOM 0 HH TYR A 44 2.465 -6.874 -14.921 1.00 0.00 H new ATOM 756 N TYR A 45 -0.836 -10.667 -7.275 1.00 0.00 N ATOM 757 CA TYR A 45 -0.622 -11.377 -5.983 1.00 0.00 C ATOM 758 C TYR A 45 -1.850 -11.196 -5.084 1.00 0.00 C ATOM 759 O TYR A 45 -1.774 -10.636 -4.010 1.00 0.00 O ATOM 760 CB TYR A 45 0.622 -10.804 -5.297 1.00 0.00 C ATOM 761 CG TYR A 45 0.341 -9.401 -4.816 1.00 0.00 C ATOM 762 CD1 TYR A 45 0.167 -8.366 -5.742 1.00 0.00 C ATOM 763 CD2 TYR A 45 0.252 -9.136 -3.444 1.00 0.00 C ATOM 764 CE1 TYR A 45 -0.096 -7.066 -5.296 1.00 0.00 C ATOM 765 CE2 TYR A 45 -0.011 -7.836 -2.999 1.00 0.00 C ATOM 766 CZ TYR A 45 -0.185 -6.801 -3.924 1.00 0.00 C ATOM 767 OH TYR A 45 -0.447 -5.520 -3.484 1.00 0.00 O ATOM 0 H TYR A 45 -1.523 -9.914 -7.250 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.476 -12.441 -6.167 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.908 -11.436 -4.456 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.462 -10.799 -5.992 1.00 0.00 H new ATOM 0 HD1 TYR A 45 0.236 -8.571 -6.800 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.386 -9.935 -2.730 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.230 -6.267 -6.010 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.080 -7.631 -1.941 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.416 -5.393 -3.405 1.00 0.00 H new ATOM 777 N THR A 46 -2.984 -11.666 -5.523 1.00 0.00 N ATOM 778 CA THR A 46 -4.224 -11.525 -4.705 1.00 0.00 C ATOM 779 C THR A 46 -4.022 -12.197 -3.345 1.00 0.00 C ATOM 780 O THR A 46 -4.783 -11.987 -2.421 1.00 0.00 O ATOM 781 CB THR A 46 -5.391 -12.187 -5.450 1.00 0.00 C ATOM 782 OG1 THR A 46 -6.594 -11.491 -5.155 1.00 0.00 O ATOM 783 CG2 THR A 46 -5.533 -13.654 -5.030 1.00 0.00 C ATOM 0 H THR A 46 -3.107 -12.144 -6.416 1.00 0.00 H new ATOM 0 HA THR A 46 -4.446 -10.470 -4.546 1.00 0.00 H new ATOM 0 HB THR A 46 -5.193 -12.147 -6.521 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.340 -11.911 -5.631 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.365 -14.108 -5.568 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.614 -14.190 -5.265 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.721 -13.709 -3.958 1.00 0.00 H new ATOM 791 N ARG A 47 -3.007 -13.010 -3.228 1.00 0.00 N ATOM 792 CA ARG A 47 -2.741 -13.719 -1.938 1.00 0.00 C ATOM 793 C ARG A 47 -3.162 -12.845 -0.751 1.00 0.00 C ATOM 794 O ARG A 47 -2.756 -11.708 -0.625 1.00 0.00 O ATOM 795 CB ARG A 47 -1.245 -14.035 -1.828 1.00 0.00 C ATOM 796 CG ARG A 47 -0.420 -12.747 -1.996 1.00 0.00 C ATOM 797 CD ARG A 47 0.374 -12.463 -0.716 1.00 0.00 C ATOM 798 NE ARG A 47 -0.558 -12.398 0.445 1.00 0.00 N ATOM 799 CZ ARG A 47 -0.207 -11.759 1.529 1.00 0.00 C ATOM 800 NH1 ARG A 47 0.959 -11.176 1.595 1.00 0.00 N ATOM 801 NH2 ARG A 47 -1.023 -11.703 2.546 1.00 0.00 N ATOM 0 H ARG A 47 -2.344 -13.216 -3.975 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.318 -14.643 -1.920 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.031 -14.490 -0.861 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.961 -14.760 -2.591 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.261 -12.849 -2.841 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.080 -11.909 -2.218 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.117 -13.244 -0.556 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.916 -11.523 -0.813 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.470 -12.852 0.393 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.597 -11.219 0.800 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.233 -10.677 2.442 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.934 -12.158 2.494 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.749 -11.204 3.393 1.00 0.00 H new ATOM 815 N GLU A 48 -3.979 -13.375 0.118 1.00 0.00 N ATOM 816 CA GLU A 48 -4.432 -12.583 1.297 1.00 0.00 C ATOM 817 C GLU A 48 -5.230 -13.489 2.237 1.00 0.00 C ATOM 818 O GLU A 48 -5.401 -14.665 1.985 1.00 0.00 O ATOM 819 CB GLU A 48 -5.317 -11.423 0.828 1.00 0.00 C ATOM 820 CG GLU A 48 -6.487 -11.962 -0.001 1.00 0.00 C ATOM 821 CD GLU A 48 -7.573 -12.502 0.933 1.00 0.00 C ATOM 822 OE1 GLU A 48 -8.029 -11.750 1.777 1.00 0.00 O ATOM 823 OE2 GLU A 48 -7.930 -13.660 0.786 1.00 0.00 O ATOM 0 H GLU A 48 -4.353 -14.323 0.063 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.565 -12.183 1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.694 -10.871 1.689 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.730 -10.724 0.233 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.895 -11.171 -0.630 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.140 -12.752 -0.667 1.00 0.00 H new ATOM 830 N ALA A 49 -5.722 -12.952 3.321 1.00 0.00 N ATOM 831 CA ALA A 49 -6.510 -13.783 4.276 1.00 0.00 C ATOM 832 C ALA A 49 -7.596 -12.923 4.924 1.00 0.00 C ATOM 833 O ALA A 49 -7.864 -13.027 6.104 1.00 0.00 O ATOM 834 CB ALA A 49 -5.582 -14.334 5.359 1.00 0.00 C ATOM 0 H ALA A 49 -5.612 -11.973 3.586 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.974 -14.611 3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.158 -14.941 6.057 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.808 -14.947 4.897 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.118 -13.507 5.896 1.00 0.00 H new ATOM 840 N GLY A 50 -8.225 -12.072 4.159 1.00 0.00 N ATOM 841 CA GLY A 50 -9.296 -11.202 4.727 1.00 0.00 C ATOM 842 C GLY A 50 -9.401 -9.920 3.900 1.00 0.00 C ATOM 843 O GLY A 50 -8.408 -9.310 3.555 1.00 0.00 O ATOM 0 H GLY A 50 -8.043 -11.941 3.164 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.250 -11.730 4.722 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.071 -10.960 5.766 1.00 0.00 H new ATOM 847 N VAL A 51 -10.596 -9.506 3.575 1.00 0.00 N ATOM 848 CA VAL A 51 -10.757 -8.265 2.768 1.00 0.00 C ATOM 849 C VAL A 51 -10.033 -7.109 3.459 1.00 0.00 C ATOM 850 O VAL A 51 -9.387 -6.300 2.823 1.00 0.00 O ATOM 851 CB VAL A 51 -12.241 -7.921 2.633 1.00 0.00 C ATOM 852 CG1 VAL A 51 -12.912 -8.907 1.676 1.00 0.00 C ATOM 853 CG2 VAL A 51 -12.920 -8.001 4.004 1.00 0.00 C ATOM 0 H VAL A 51 -11.465 -9.973 3.833 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.332 -8.426 1.777 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.338 -6.909 2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.969 -8.660 1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.436 -8.845 0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -12.810 -9.920 2.066 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.977 -7.755 3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.819 -9.011 4.401 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.447 -7.294 4.686 1.00 0.00 H new ATOM 863 N ARG A 52 -10.136 -7.023 4.756 1.00 0.00 N ATOM 864 CA ARG A 52 -9.454 -5.919 5.485 1.00 0.00 C ATOM 865 C ARG A 52 -8.012 -5.799 4.993 1.00 0.00 C ATOM 866 O ARG A 52 -7.549 -4.730 4.647 1.00 0.00 O ATOM 867 CB ARG A 52 -9.463 -6.219 6.989 1.00 0.00 C ATOM 868 CG ARG A 52 -8.826 -5.053 7.763 1.00 0.00 C ATOM 869 CD ARG A 52 -7.383 -5.405 8.143 1.00 0.00 C ATOM 870 NE ARG A 52 -7.389 -6.322 9.317 1.00 0.00 N ATOM 871 CZ ARG A 52 -7.616 -5.850 10.512 1.00 0.00 C ATOM 872 NH1 ARG A 52 -7.841 -4.575 10.677 1.00 0.00 N ATOM 873 NH2 ARG A 52 -7.619 -6.652 11.540 1.00 0.00 N ATOM 0 H ARG A 52 -10.663 -7.670 5.342 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.978 -4.981 5.300 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.486 -6.377 7.330 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.915 -7.140 7.188 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.841 -4.149 7.153 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.406 -4.841 8.661 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.879 -5.879 7.301 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.826 -4.498 8.379 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.216 -7.319 9.187 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.839 -3.948 9.872 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.019 -4.205 11.611 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.444 -7.648 11.410 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.796 -6.283 12.474 1.00 0.00 H new ATOM 887 N SER A 53 -7.297 -6.890 4.953 1.00 0.00 N ATOM 888 CA SER A 53 -5.887 -6.834 4.479 1.00 0.00 C ATOM 889 C SER A 53 -5.864 -6.456 3.002 1.00 0.00 C ATOM 890 O SER A 53 -5.080 -5.632 2.576 1.00 0.00 O ATOM 891 CB SER A 53 -5.225 -8.196 4.665 1.00 0.00 C ATOM 892 OG SER A 53 -6.044 -9.202 4.084 1.00 0.00 O ATOM 0 H SER A 53 -7.628 -7.815 5.227 1.00 0.00 H new ATOM 0 HA SER A 53 -5.342 -6.088 5.057 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.239 -8.200 4.200 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.078 -8.399 5.726 1.00 0.00 H new ATOM 0 HG SER A 53 -6.971 -8.886 4.043 1.00 0.00 H new ATOM 898 N LEU A 54 -6.724 -7.040 2.216 1.00 0.00 N ATOM 899 CA LEU A 54 -6.749 -6.693 0.770 1.00 0.00 C ATOM 900 C LEU A 54 -6.824 -5.173 0.650 1.00 0.00 C ATOM 901 O LEU A 54 -6.015 -4.543 -0.003 1.00 0.00 O ATOM 902 CB LEU A 54 -7.977 -7.334 0.110 1.00 0.00 C ATOM 903 CG LEU A 54 -7.724 -7.525 -1.388 1.00 0.00 C ATOM 904 CD1 LEU A 54 -8.923 -8.235 -2.019 1.00 0.00 C ATOM 905 CD2 LEU A 54 -7.532 -6.159 -2.056 1.00 0.00 C ATOM 0 H LEU A 54 -7.407 -7.738 2.511 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.853 -7.064 0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.191 -8.295 0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.853 -6.704 0.262 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.826 -8.126 -1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.745 -8.372 -3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.060 -9.208 -1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.820 -7.632 -1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.352 -6.297 -3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.429 -5.556 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.678 -5.651 -1.607 1.00 0.00 H new ATOM 917 N GLU A 55 -7.783 -4.579 1.303 1.00 0.00 N ATOM 918 CA GLU A 55 -7.911 -3.100 1.259 1.00 0.00 C ATOM 919 C GLU A 55 -6.591 -2.476 1.712 1.00 0.00 C ATOM 920 O GLU A 55 -6.143 -1.487 1.169 1.00 0.00 O ATOM 921 CB GLU A 55 -9.035 -2.659 2.198 1.00 0.00 C ATOM 922 CG GLU A 55 -9.091 -1.131 2.251 1.00 0.00 C ATOM 923 CD GLU A 55 -10.358 -0.695 2.987 1.00 0.00 C ATOM 924 OE1 GLU A 55 -11.433 -0.906 2.453 1.00 0.00 O ATOM 925 OE2 GLU A 55 -10.231 -0.155 4.074 1.00 0.00 O ATOM 0 H GLU A 55 -8.485 -5.058 1.867 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.143 -2.777 0.244 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.989 -3.056 1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.867 -3.061 3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.209 -0.741 2.760 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.084 -0.721 1.241 1.00 0.00 H new ATOM 932 N ARG A 56 -5.963 -3.048 2.705 1.00 0.00 N ATOM 933 CA ARG A 56 -4.672 -2.483 3.188 1.00 0.00 C ATOM 934 C ARG A 56 -3.636 -2.546 2.065 1.00 0.00 C ATOM 935 O ARG A 56 -2.849 -1.642 1.885 1.00 0.00 O ATOM 936 CB ARG A 56 -4.171 -3.288 4.389 1.00 0.00 C ATOM 937 CG ARG A 56 -3.028 -2.529 5.069 1.00 0.00 C ATOM 938 CD ARG A 56 -2.241 -3.481 5.972 1.00 0.00 C ATOM 939 NE ARG A 56 -1.156 -2.728 6.661 1.00 0.00 N ATOM 940 CZ ARG A 56 -0.167 -3.370 7.218 1.00 0.00 C ATOM 941 NH1 ARG A 56 -0.128 -4.673 7.174 1.00 0.00 N ATOM 942 NH2 ARG A 56 0.783 -2.709 7.821 1.00 0.00 N ATOM 0 H ARG A 56 -6.288 -3.879 3.200 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.823 -1.446 3.488 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.984 -3.452 5.096 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.828 -4.270 4.065 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.368 -2.097 4.317 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.427 -1.702 5.656 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.906 -3.936 6.706 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.816 -4.292 5.381 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.187 -1.709 6.697 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.871 -5.190 6.704 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.646 -5.175 7.610 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.752 -1.690 7.857 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.557 -3.211 8.257 1.00 0.00 H new ATOM 956 N GLN A 57 -3.627 -3.610 1.311 1.00 0.00 N ATOM 957 CA GLN A 57 -2.638 -3.726 0.202 1.00 0.00 C ATOM 958 C GLN A 57 -2.886 -2.615 -0.819 1.00 0.00 C ATOM 959 O GLN A 57 -1.971 -1.941 -1.250 1.00 0.00 O ATOM 960 CB GLN A 57 -2.789 -5.089 -0.477 1.00 0.00 C ATOM 961 CG GLN A 57 -2.276 -6.185 0.459 1.00 0.00 C ATOM 962 CD GLN A 57 -2.541 -7.556 -0.166 1.00 0.00 C ATOM 963 OE1 GLN A 57 -2.835 -7.636 -1.435 1.00 0.00 O flip ATOM 964 NE2 GLN A 57 -2.477 -8.566 0.506 1.00 0.00 N flip ATOM 0 H GLN A 57 -4.260 -4.403 1.414 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.629 -3.632 0.603 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.835 -5.269 -0.726 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -2.231 -5.105 -1.413 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.209 -6.055 0.637 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.772 -6.113 1.427 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.247 -8.505 1.498 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.653 -9.475 0.078 1.00 0.00 H new ATOM 973 N LEU A 58 -4.115 -2.413 -1.208 1.00 0.00 N ATOM 974 CA LEU A 58 -4.411 -1.339 -2.199 1.00 0.00 C ATOM 975 C LEU A 58 -4.114 0.019 -1.566 1.00 0.00 C ATOM 976 O LEU A 58 -3.463 0.860 -2.150 1.00 0.00 O ATOM 977 CB LEU A 58 -5.884 -1.405 -2.609 1.00 0.00 C ATOM 978 CG LEU A 58 -6.262 -2.855 -2.911 1.00 0.00 C ATOM 979 CD1 LEU A 58 -7.746 -2.932 -3.277 1.00 0.00 C ATOM 980 CD2 LEU A 58 -5.421 -3.371 -4.084 1.00 0.00 C ATOM 0 H LEU A 58 -4.924 -2.943 -0.884 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.790 -1.476 -3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.513 -1.012 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.057 -0.782 -3.487 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.072 -3.468 -2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.014 -3.966 -3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.346 -2.567 -2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.936 -2.317 -4.157 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.691 -4.405 -4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.609 -2.757 -4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.364 -3.319 -3.824 1.00 0.00 H new ATOM 992 N ALA A 59 -4.569 0.237 -0.367 1.00 0.00 N ATOM 993 CA ALA A 59 -4.287 1.534 0.301 1.00 0.00 C ATOM 994 C ALA A 59 -2.771 1.723 0.359 1.00 0.00 C ATOM 995 O ALA A 59 -2.260 2.815 0.204 1.00 0.00 O ATOM 996 CB ALA A 59 -4.858 1.517 1.721 1.00 0.00 C ATOM 0 H ALA A 59 -5.122 -0.424 0.178 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.748 2.351 -0.254 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.650 2.469 2.208 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.936 1.360 1.678 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.396 0.710 2.289 1.00 0.00 H new ATOM 1002 N ALA A 60 -2.054 0.657 0.594 1.00 0.00 N ATOM 1003 CA ALA A 60 -0.569 0.747 0.681 1.00 0.00 C ATOM 1004 C ALA A 60 0.022 1.177 -0.665 1.00 0.00 C ATOM 1005 O ALA A 60 0.707 2.174 -0.754 1.00 0.00 O ATOM 1006 CB ALA A 60 -0.002 -0.620 1.067 1.00 0.00 C ATOM 0 H ALA A 60 -2.437 -0.279 0.730 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.305 1.488 1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.084 -0.558 1.132 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.406 -0.922 2.033 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.279 -1.355 0.312 1.00 0.00 H new ATOM 1012 N ILE A 61 -0.217 0.432 -1.711 1.00 0.00 N ATOM 1013 CA ILE A 61 0.359 0.812 -3.035 1.00 0.00 C ATOM 1014 C ILE A 61 -0.158 2.195 -3.446 1.00 0.00 C ATOM 1015 O ILE A 61 0.578 3.018 -3.958 1.00 0.00 O ATOM 1016 CB ILE A 61 -0.034 -0.236 -4.089 1.00 0.00 C ATOM 1017 CG1 ILE A 61 0.958 -0.187 -5.258 1.00 0.00 C ATOM 1018 CG2 ILE A 61 -1.445 0.043 -4.613 1.00 0.00 C ATOM 1019 CD1 ILE A 61 0.441 -1.046 -6.418 1.00 0.00 C ATOM 0 H ILE A 61 -0.782 -0.417 -1.708 1.00 0.00 H new ATOM 0 HA ILE A 61 1.446 0.850 -2.961 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.013 -1.223 -3.627 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.093 0.843 -5.589 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.934 -0.548 -4.933 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.711 -0.706 -5.359 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.155 0.001 -3.787 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.475 1.033 -5.067 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.151 -1.006 -7.244 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.329 -2.078 -6.085 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.525 -0.665 -6.750 1.00 0.00 H new ATOM 1031 N CYS A 62 -1.418 2.455 -3.232 1.00 0.00 N ATOM 1032 CA CYS A 62 -1.982 3.778 -3.617 1.00 0.00 C ATOM 1033 C CYS A 62 -1.188 4.900 -2.946 1.00 0.00 C ATOM 1034 O CYS A 62 -0.501 5.662 -3.599 1.00 0.00 O ATOM 1035 CB CYS A 62 -3.444 3.854 -3.175 1.00 0.00 C ATOM 1036 SG CYS A 62 -4.396 2.567 -4.019 1.00 0.00 S ATOM 0 H CYS A 62 -2.082 1.808 -2.807 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.918 3.894 -4.699 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.516 3.725 -2.095 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.855 4.837 -3.407 1.00 0.00 H new ATOM 0 HG CYS A 62 -4.151 1.415 -3.469 1.00 0.00 H new ATOM 1042 N ARG A 63 -1.279 5.020 -1.650 1.00 0.00 N ATOM 1043 CA ARG A 63 -0.530 6.106 -0.959 1.00 0.00 C ATOM 1044 C ARG A 63 0.960 5.972 -1.255 1.00 0.00 C ATOM 1045 O ARG A 63 1.621 6.941 -1.565 1.00 0.00 O ATOM 1046 CB ARG A 63 -0.769 6.029 0.544 1.00 0.00 C ATOM 1047 CG ARG A 63 -0.083 4.785 1.116 1.00 0.00 C ATOM 1048 CD ARG A 63 -0.680 4.453 2.487 1.00 0.00 C ATOM 1049 NE ARG A 63 -0.985 5.717 3.217 1.00 0.00 N ATOM 1050 CZ ARG A 63 -1.194 5.692 4.505 1.00 0.00 C ATOM 1051 NH1 ARG A 63 -1.134 4.562 5.155 1.00 0.00 N ATOM 1052 NH2 ARG A 63 -1.463 6.798 5.144 1.00 0.00 N ATOM 0 H ARG A 63 -1.836 4.418 -1.044 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.883 7.071 -1.324 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.381 6.925 1.029 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.839 5.993 0.750 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.213 3.942 0.438 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.989 4.958 1.207 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.588 3.862 2.366 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.020 3.848 3.063 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.030 6.601 2.710 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.924 3.697 4.656 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.297 4.543 6.162 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.510 7.682 4.637 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.626 6.779 6.151 1.00 0.00 H new ATOM 1066 N LYS A 64 1.501 4.781 -1.180 1.00 0.00 N ATOM 1067 CA LYS A 64 2.949 4.613 -1.487 1.00 0.00 C ATOM 1068 C LYS A 64 3.247 5.436 -2.734 1.00 0.00 C ATOM 1069 O LYS A 64 4.262 6.097 -2.840 1.00 0.00 O ATOM 1070 CB LYS A 64 3.262 3.135 -1.751 1.00 0.00 C ATOM 1071 CG LYS A 64 4.765 2.960 -2.042 1.00 0.00 C ATOM 1072 CD LYS A 64 5.426 2.130 -0.933 1.00 0.00 C ATOM 1073 CE LYS A 64 5.091 0.649 -1.126 1.00 0.00 C ATOM 1074 NZ LYS A 64 5.838 -0.162 -0.125 1.00 0.00 N ATOM 0 H LYS A 64 1.006 3.927 -0.922 1.00 0.00 H new ATOM 0 HA LYS A 64 3.561 4.945 -0.648 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.978 2.534 -0.887 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.675 2.775 -2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.902 2.468 -3.005 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.246 3.936 -2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.506 2.274 -0.953 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.078 2.467 0.043 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.019 0.490 -1.012 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.355 0.334 -2.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.611 -1.169 -0.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.860 -0.018 -0.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.565 0.133 0.834 1.00 0.00 H new ATOM 1088 N ALA A 65 2.336 5.421 -3.666 1.00 0.00 N ATOM 1089 CA ALA A 65 2.513 6.222 -4.902 1.00 0.00 C ATOM 1090 C ALA A 65 2.322 7.699 -4.551 1.00 0.00 C ATOM 1091 O ALA A 65 3.011 8.560 -5.056 1.00 0.00 O ATOM 1092 CB ALA A 65 1.472 5.799 -5.941 1.00 0.00 C ATOM 0 H ALA A 65 1.471 4.883 -3.621 1.00 0.00 H new ATOM 0 HA ALA A 65 3.509 6.062 -5.315 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.603 6.388 -6.848 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.599 4.742 -6.174 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.471 5.965 -5.542 1.00 0.00 H new ATOM 1098 N ALA A 66 1.388 7.999 -3.684 1.00 0.00 N ATOM 1099 CA ALA A 66 1.163 9.422 -3.304 1.00 0.00 C ATOM 1100 C ALA A 66 2.451 10.003 -2.717 1.00 0.00 C ATOM 1101 O ALA A 66 2.804 11.137 -2.971 1.00 0.00 O ATOM 1102 CB ALA A 66 0.045 9.502 -2.261 1.00 0.00 C ATOM 0 H ALA A 66 0.776 7.323 -3.227 1.00 0.00 H new ATOM 0 HA ALA A 66 0.877 9.993 -4.187 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.119 10.543 -1.983 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.873 9.089 -2.679 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.330 8.931 -1.377 1.00 0.00 H new ATOM 1108 N LYS A 67 3.155 9.237 -1.930 1.00 0.00 N ATOM 1109 CA LYS A 67 4.420 9.744 -1.324 1.00 0.00 C ATOM 1110 C LYS A 67 5.438 10.047 -2.426 1.00 0.00 C ATOM 1111 O LYS A 67 6.168 11.014 -2.361 1.00 0.00 O ATOM 1112 CB LYS A 67 4.994 8.684 -0.380 1.00 0.00 C ATOM 1113 CG LYS A 67 4.218 8.699 0.941 1.00 0.00 C ATOM 1114 CD LYS A 67 4.759 7.610 1.875 1.00 0.00 C ATOM 1115 CE LYS A 67 5.940 8.158 2.682 1.00 0.00 C ATOM 1116 NZ LYS A 67 5.444 9.152 3.676 1.00 0.00 N ATOM 0 H LYS A 67 2.909 8.279 -1.679 1.00 0.00 H new ATOM 0 HA LYS A 67 4.210 10.657 -0.766 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.929 7.698 -0.841 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.050 8.880 -0.195 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.309 9.676 1.416 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.157 8.534 0.752 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.972 7.272 2.549 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.075 6.744 1.294 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.455 7.344 3.192 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.665 8.625 2.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.083 9.171 4.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.414 10.095 3.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.489 8.884 3.988 1.00 0.00 H new ATOM 1130 N ALA A 68 5.499 9.221 -3.431 1.00 0.00 N ATOM 1131 CA ALA A 68 6.477 9.456 -4.531 1.00 0.00 C ATOM 1132 C ALA A 68 6.300 10.872 -5.088 1.00 0.00 C ATOM 1133 O ALA A 68 7.069 11.323 -5.912 1.00 0.00 O ATOM 1134 CB ALA A 68 6.247 8.436 -5.648 1.00 0.00 C ATOM 0 H ALA A 68 4.914 8.392 -3.540 1.00 0.00 H new ATOM 0 HA ALA A 68 7.489 9.346 -4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.963 8.609 -6.452 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.380 7.429 -5.254 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.234 8.543 -6.035 1.00 0.00 H new ATOM 1140 N ILE A 69 5.295 11.578 -4.645 1.00 0.00 N ATOM 1141 CA ILE A 69 5.082 12.964 -5.155 1.00 0.00 C ATOM 1142 C ILE A 69 6.402 13.737 -5.081 1.00 0.00 C ATOM 1143 O ILE A 69 6.657 14.627 -5.869 1.00 0.00 O ATOM 1144 CB ILE A 69 4.020 13.671 -4.303 1.00 0.00 C ATOM 1145 CG1 ILE A 69 3.640 15.012 -4.950 1.00 0.00 C ATOM 1146 CG2 ILE A 69 4.575 13.923 -2.899 1.00 0.00 C ATOM 1147 CD1 ILE A 69 2.558 14.789 -6.012 1.00 0.00 C ATOM 0 H ILE A 69 4.615 11.258 -3.955 1.00 0.00 H new ATOM 0 HA ILE A 69 4.740 12.924 -6.189 1.00 0.00 H new ATOM 0 HB ILE A 69 3.134 13.039 -4.238 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.278 15.704 -4.189 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.519 15.469 -5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.820 14.425 -2.294 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.838 12.972 -2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.463 14.551 -2.966 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.293 15.743 -6.467 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.935 14.113 -6.780 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.675 14.352 -5.546 1.00 0.00 H new ATOM 1239 N LYS A 75 1.972 15.097 -10.475 1.00 0.00 N ATOM 1240 CA LYS A 75 0.545 15.524 -10.420 1.00 0.00 C ATOM 1241 C LYS A 75 -0.339 14.404 -10.973 1.00 0.00 C ATOM 1242 O LYS A 75 -0.072 13.849 -12.020 1.00 0.00 O ATOM 1243 CB LYS A 75 0.355 16.791 -11.261 1.00 0.00 C ATOM 1244 CG LYS A 75 1.000 16.607 -12.646 1.00 0.00 C ATOM 1245 CD LYS A 75 2.264 17.466 -12.754 1.00 0.00 C ATOM 1246 CE LYS A 75 2.848 17.337 -14.163 1.00 0.00 C ATOM 1247 NZ LYS A 75 4.090 18.155 -14.264 1.00 0.00 N ATOM 0 HA LYS A 75 0.266 15.733 -9.387 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.708 17.008 -11.372 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.803 17.645 -10.753 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.249 15.558 -12.804 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.292 16.887 -13.426 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.028 18.508 -12.540 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.998 17.147 -12.014 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.069 16.292 -14.382 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.119 17.670 -14.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.487 18.067 -15.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.865 19.152 -14.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.786 17.817 -13.569 1.00 0.00 H new ATOM 1261 N ARG A 76 -1.389 14.063 -10.278 1.00 0.00 N ATOM 1262 CA ARG A 76 -2.284 12.976 -10.768 1.00 0.00 C ATOM 1263 C ARG A 76 -1.436 11.773 -11.188 1.00 0.00 C ATOM 1264 O ARG A 76 -0.980 11.684 -12.311 1.00 0.00 O ATOM 1265 CB ARG A 76 -3.089 13.480 -11.968 1.00 0.00 C ATOM 1266 CG ARG A 76 -3.537 14.921 -11.713 1.00 0.00 C ATOM 1267 CD ARG A 76 -4.525 15.350 -12.800 1.00 0.00 C ATOM 1268 NE ARG A 76 -5.855 14.733 -12.536 1.00 0.00 N ATOM 1269 CZ ARG A 76 -6.856 14.970 -13.338 1.00 0.00 C ATOM 1270 NH1 ARG A 76 -6.692 15.745 -14.375 1.00 0.00 N ATOM 1271 NH2 ARG A 76 -8.023 14.433 -13.103 1.00 0.00 N ATOM 0 H ARG A 76 -1.666 14.489 -9.394 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.968 12.679 -9.973 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.483 13.431 -12.873 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.957 12.841 -12.131 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.004 14.999 -10.731 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.673 15.586 -11.709 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.613 16.436 -12.817 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.159 15.044 -13.780 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.983 14.125 -11.727 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.781 16.165 -14.558 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.475 15.930 -15.002 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.152 13.828 -12.292 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.805 14.619 -13.730 1.00 0.00 H new ATOM 1285 N ILE A 77 -1.214 10.849 -10.293 1.00 0.00 N ATOM 1286 CA ILE A 77 -0.390 9.658 -10.640 1.00 0.00 C ATOM 1287 C ILE A 77 -1.246 8.631 -11.383 1.00 0.00 C ATOM 1288 O ILE A 77 -2.227 8.134 -10.865 1.00 0.00 O ATOM 1289 CB ILE A 77 0.159 9.030 -9.359 1.00 0.00 C ATOM 1290 CG1 ILE A 77 0.947 10.083 -8.578 1.00 0.00 C ATOM 1291 CG2 ILE A 77 1.084 7.866 -9.718 1.00 0.00 C ATOM 1292 CD1 ILE A 77 1.341 9.517 -7.214 1.00 0.00 C ATOM 0 H ILE A 77 -1.568 10.868 -9.337 1.00 0.00 H new ATOM 0 HA ILE A 77 0.436 9.967 -11.281 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.666 8.663 -8.749 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.838 10.373 -9.135 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.345 10.983 -8.450 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.476 7.418 -8.805 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.525 7.117 -10.279 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.911 8.233 -10.326 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.903 10.267 -6.657 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.443 9.249 -6.658 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.959 8.630 -7.353 1.00 0.00 H new ATOM 1304 N THR A 78 -0.878 8.304 -12.593 1.00 0.00 N ATOM 1305 CA THR A 78 -1.665 7.303 -13.368 1.00 0.00 C ATOM 1306 C THR A 78 -1.202 5.896 -12.989 1.00 0.00 C ATOM 1307 O THR A 78 -0.024 5.643 -12.838 1.00 0.00 O ATOM 1308 CB THR A 78 -1.441 7.529 -14.866 1.00 0.00 C ATOM 1309 OG1 THR A 78 -1.613 8.906 -15.167 1.00 0.00 O ATOM 1310 CG2 THR A 78 -2.448 6.700 -15.665 1.00 0.00 C ATOM 0 H THR A 78 -0.066 8.687 -13.078 1.00 0.00 H new ATOM 0 HA THR A 78 -2.725 7.413 -13.140 1.00 0.00 H new ATOM 0 HB THR A 78 -0.429 7.223 -15.132 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.468 9.052 -16.125 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.288 6.862 -16.731 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.314 5.643 -15.434 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.461 7.004 -15.400 1.00 0.00 H new ATOM 1318 N VAL A 79 -2.120 4.976 -12.828 1.00 0.00 N ATOM 1319 CA VAL A 79 -1.728 3.585 -12.452 1.00 0.00 C ATOM 1320 C VAL A 79 -2.305 2.594 -13.464 1.00 0.00 C ATOM 1321 O VAL A 79 -3.486 2.310 -13.465 1.00 0.00 O ATOM 1322 CB VAL A 79 -2.272 3.262 -11.059 1.00 0.00 C ATOM 1323 CG1 VAL A 79 -1.633 1.971 -10.545 1.00 0.00 C ATOM 1324 CG2 VAL A 79 -1.938 4.411 -10.105 1.00 0.00 C ATOM 0 H VAL A 79 -3.122 5.129 -12.941 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.641 3.506 -12.449 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.353 3.134 -11.112 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.022 1.743 -9.553 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.870 1.152 -11.225 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.552 2.097 -10.491 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.325 4.183 -9.112 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.857 4.538 -10.053 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.394 5.331 -10.470 1.00 0.00 H new ATOM 1334 N THR A 80 -1.476 2.060 -14.323 1.00 0.00 N ATOM 1335 CA THR A 80 -1.966 1.080 -15.337 1.00 0.00 C ATOM 1336 C THR A 80 -1.531 -0.330 -14.927 1.00 0.00 C ATOM 1337 O THR A 80 -1.429 -0.641 -13.757 1.00 0.00 O ATOM 1338 CB THR A 80 -1.368 1.421 -16.704 1.00 0.00 C ATOM 1339 OG1 THR A 80 0.047 1.321 -16.639 1.00 0.00 O ATOM 1340 CG2 THR A 80 -1.765 2.845 -17.095 1.00 0.00 C ATOM 0 H THR A 80 -0.477 2.261 -14.366 1.00 0.00 H new ATOM 0 HA THR A 80 -3.054 1.125 -15.395 1.00 0.00 H new ATOM 0 HB THR A 80 -1.746 0.723 -17.451 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.371 1.783 -15.838 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.339 3.087 -18.069 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.851 2.919 -17.146 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.388 3.545 -16.350 1.00 0.00 H new ATOM 1348 N GLU A 81 -1.272 -1.185 -15.880 1.00 0.00 N ATOM 1349 CA GLU A 81 -0.842 -2.573 -15.541 1.00 0.00 C ATOM 1350 C GLU A 81 0.685 -2.639 -15.509 1.00 0.00 C ATOM 1351 O GLU A 81 1.273 -3.696 -15.619 1.00 0.00 O ATOM 1352 CB GLU A 81 -1.375 -3.545 -16.595 1.00 0.00 C ATOM 1353 CG GLU A 81 -0.835 -3.153 -17.972 1.00 0.00 C ATOM 1354 CD GLU A 81 -1.530 -3.987 -19.049 1.00 0.00 C ATOM 1355 OE1 GLU A 81 -2.748 -4.055 -19.024 1.00 0.00 O ATOM 1356 OE2 GLU A 81 -0.834 -4.544 -19.882 1.00 0.00 O ATOM 0 H GLU A 81 -1.339 -0.983 -16.877 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.238 -2.848 -14.563 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.073 -4.564 -16.351 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.465 -3.528 -16.602 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.005 -2.092 -18.153 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.242 -3.314 -18.011 1.00 0.00 H new ATOM 1363 N LYS A 82 1.329 -1.515 -15.350 1.00 0.00 N ATOM 1364 CA LYS A 82 2.822 -1.500 -15.300 1.00 0.00 C ATOM 1365 C LYS A 82 3.277 -0.659 -14.108 1.00 0.00 C ATOM 1366 O LYS A 82 4.342 -0.864 -13.561 1.00 0.00 O ATOM 1367 CB LYS A 82 3.375 -0.901 -16.596 1.00 0.00 C ATOM 1368 CG LYS A 82 4.884 -1.173 -16.690 1.00 0.00 C ATOM 1369 CD LYS A 82 5.131 -2.557 -17.311 1.00 0.00 C ATOM 1370 CE LYS A 82 5.288 -2.425 -18.829 1.00 0.00 C ATOM 1371 NZ LYS A 82 4.309 -1.429 -19.349 1.00 0.00 N ATOM 0 H LYS A 82 0.885 -0.602 -15.252 1.00 0.00 H new ATOM 0 HA LYS A 82 3.194 -2.519 -15.191 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.863 -1.334 -17.455 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.187 0.172 -16.621 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.364 -0.403 -17.295 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.333 -1.125 -15.698 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.028 -3.004 -16.881 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.300 -3.223 -17.079 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.303 -2.114 -19.074 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.127 -3.391 -19.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.359 -1.403 -20.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.349 -1.700 -19.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.535 -0.488 -18.968 1.00 0.00 H new ATOM 1385 N ASN A 83 2.475 0.279 -13.694 1.00 0.00 N ATOM 1386 CA ASN A 83 2.852 1.125 -12.533 1.00 0.00 C ATOM 1387 C ASN A 83 2.789 0.284 -11.257 1.00 0.00 C ATOM 1388 O ASN A 83 3.608 0.422 -10.370 1.00 0.00 O ATOM 1389 CB ASN A 83 1.880 2.300 -12.419 1.00 0.00 C ATOM 1390 CG ASN A 83 1.571 2.844 -13.815 1.00 0.00 C ATOM 1391 OD1 ASN A 83 1.046 2.138 -14.653 1.00 0.00 O ATOM 1392 ND2 ASN A 83 1.877 4.080 -14.103 1.00 0.00 N ATOM 0 H ASN A 83 1.571 0.496 -14.112 1.00 0.00 H new ATOM 0 HA ASN A 83 3.864 1.507 -12.671 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.960 1.979 -11.931 1.00 0.00 H new ATOM 0 HB3 ASN A 83 2.313 3.085 -11.799 1.00 0.00 H new ATOM 0 HD21 ASN A 83 1.675 4.452 -15.031 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.318 4.673 -13.400 1.00 0.00 H new ATOM 1399 N LEU A 84 1.817 -0.584 -11.152 1.00 0.00 N ATOM 1400 CA LEU A 84 1.706 -1.423 -9.925 1.00 0.00 C ATOM 1401 C LEU A 84 3.063 -2.059 -9.622 1.00 0.00 C ATOM 1402 O LEU A 84 3.474 -2.156 -8.482 1.00 0.00 O ATOM 1403 CB LEU A 84 0.633 -2.509 -10.116 1.00 0.00 C ATOM 1404 CG LEU A 84 1.095 -3.573 -11.123 1.00 0.00 C ATOM 1405 CD1 LEU A 84 0.076 -4.717 -11.150 1.00 0.00 C ATOM 1406 CD2 LEU A 84 1.200 -2.957 -12.521 1.00 0.00 C ATOM 0 H LEU A 84 1.100 -0.747 -11.859 1.00 0.00 H new ATOM 0 HA LEU A 84 1.409 -0.796 -9.084 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.415 -2.981 -9.158 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.293 -2.052 -10.465 1.00 0.00 H new ATOM 0 HG LEU A 84 2.072 -3.952 -10.824 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.399 -5.475 -11.863 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.001 -5.161 -10.157 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.898 -4.330 -11.449 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.528 -3.717 -13.230 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.225 -2.575 -12.824 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.921 -2.140 -12.505 1.00 0.00 H new ATOM 1418 N GLN A 85 3.765 -2.486 -10.634 1.00 0.00 N ATOM 1419 CA GLN A 85 5.098 -3.108 -10.406 1.00 0.00 C ATOM 1420 C GLN A 85 6.076 -2.032 -9.927 1.00 0.00 C ATOM 1421 O GLN A 85 6.900 -2.264 -9.064 1.00 0.00 O ATOM 1422 CB GLN A 85 5.604 -3.718 -11.717 1.00 0.00 C ATOM 1423 CG GLN A 85 6.744 -4.697 -11.426 1.00 0.00 C ATOM 1424 CD GLN A 85 7.078 -5.480 -12.698 1.00 0.00 C ATOM 1425 OE1 GLN A 85 6.269 -5.570 -13.599 1.00 0.00 O ATOM 1426 NE2 GLN A 85 8.244 -6.056 -12.808 1.00 0.00 N ATOM 0 H GLN A 85 3.473 -2.431 -11.610 1.00 0.00 H new ATOM 0 HA GLN A 85 5.018 -3.891 -9.652 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.790 -4.234 -12.227 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.951 -2.930 -12.386 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.623 -4.155 -11.078 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.455 -5.382 -10.629 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.924 -5.980 -12.051 1.00 0.00 H new ATOM 0 HE22 GLN A 85 8.476 -6.582 -13.651 1.00 0.00 H new ATOM 1435 N ASP A 86 5.990 -0.856 -10.486 1.00 0.00 N ATOM 1436 CA ASP A 86 6.912 0.240 -10.074 1.00 0.00 C ATOM 1437 C ASP A 86 6.743 0.536 -8.581 1.00 0.00 C ATOM 1438 O ASP A 86 7.704 0.788 -7.880 1.00 0.00 O ATOM 1439 CB ASP A 86 6.592 1.502 -10.880 1.00 0.00 C ATOM 1440 CG ASP A 86 7.684 2.548 -10.644 1.00 0.00 C ATOM 1441 OD1 ASP A 86 8.199 2.597 -9.539 1.00 0.00 O ATOM 1442 OD2 ASP A 86 7.985 3.281 -11.570 1.00 0.00 O ATOM 0 H ASP A 86 5.319 -0.606 -11.212 1.00 0.00 H new ATOM 0 HA ASP A 86 7.940 -0.069 -10.263 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.527 1.262 -11.941 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.622 1.900 -10.583 1.00 0.00 H new ATOM 1447 N PHE A 87 5.536 0.513 -8.084 1.00 0.00 N ATOM 1448 CA PHE A 87 5.324 0.799 -6.637 1.00 0.00 C ATOM 1449 C PHE A 87 5.643 -0.454 -5.825 1.00 0.00 C ATOM 1450 O PHE A 87 6.554 -0.474 -5.021 1.00 0.00 O ATOM 1451 CB PHE A 87 3.865 1.195 -6.393 1.00 0.00 C ATOM 1452 CG PHE A 87 3.505 2.397 -7.238 1.00 0.00 C ATOM 1453 CD1 PHE A 87 4.186 3.608 -7.060 1.00 0.00 C ATOM 1454 CD2 PHE A 87 2.488 2.300 -8.196 1.00 0.00 C ATOM 1455 CE1 PHE A 87 3.849 4.720 -7.840 1.00 0.00 C ATOM 1456 CE2 PHE A 87 2.151 3.413 -8.974 1.00 0.00 C ATOM 1457 CZ PHE A 87 2.832 4.623 -8.797 1.00 0.00 C ATOM 0 H PHE A 87 4.690 0.309 -8.616 1.00 0.00 H new ATOM 0 HA PHE A 87 5.977 1.617 -6.333 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.208 0.360 -6.636 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.714 1.424 -5.338 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.970 3.684 -6.321 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.964 1.366 -8.334 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.374 5.654 -7.703 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.365 3.338 -9.711 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.573 5.482 -9.399 1.00 0.00 H new ATOM 1467 N ILE A 88 4.891 -1.497 -6.026 1.00 0.00 N ATOM 1468 CA ILE A 88 5.135 -2.753 -5.269 1.00 0.00 C ATOM 1469 C ILE A 88 6.383 -3.449 -5.823 1.00 0.00 C ATOM 1470 O ILE A 88 7.333 -3.697 -5.108 1.00 0.00 O ATOM 1471 CB ILE A 88 3.900 -3.655 -5.404 1.00 0.00 C ATOM 1472 CG1 ILE A 88 2.993 -3.465 -4.181 1.00 0.00 C ATOM 1473 CG2 ILE A 88 4.311 -5.126 -5.508 1.00 0.00 C ATOM 1474 CD1 ILE A 88 1.577 -3.942 -4.510 1.00 0.00 C ATOM 0 H ILE A 88 4.114 -1.534 -6.686 1.00 0.00 H new ATOM 0 HA ILE A 88 5.305 -2.536 -4.214 1.00 0.00 H new ATOM 0 HB ILE A 88 3.365 -3.378 -6.312 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.388 -4.025 -3.333 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.975 -2.415 -3.889 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.420 -5.747 -5.603 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.945 -5.266 -6.383 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.861 -5.414 -4.612 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.936 -3.806 -3.639 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.183 -3.363 -5.345 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.602 -4.998 -4.780 1.00 0.00 H new ATOM 1486 N GLY A 89 6.391 -3.766 -7.089 1.00 0.00 N ATOM 1487 CA GLY A 89 7.581 -4.444 -7.680 1.00 0.00 C ATOM 1488 C GLY A 89 7.715 -5.851 -7.093 1.00 0.00 C ATOM 1489 O GLY A 89 7.929 -6.813 -7.804 1.00 0.00 O ATOM 0 H GLY A 89 5.626 -3.585 -7.739 1.00 0.00 H new ATOM 0 HA2 GLY A 89 7.479 -4.499 -8.764 1.00 0.00 H new ATOM 0 HA3 GLY A 89 8.481 -3.866 -7.473 1.00 0.00 H new ATOM 1493 N LYS A 90 7.594 -5.980 -5.800 1.00 0.00 N ATOM 1494 CA LYS A 90 7.717 -7.326 -5.169 1.00 0.00 C ATOM 1495 C LYS A 90 6.423 -8.115 -5.390 1.00 0.00 C ATOM 1496 O LYS A 90 5.499 -8.037 -4.605 1.00 0.00 O ATOM 1497 CB LYS A 90 7.971 -7.162 -3.668 1.00 0.00 C ATOM 1498 CG LYS A 90 8.545 -8.463 -3.090 1.00 0.00 C ATOM 1499 CD LYS A 90 9.991 -8.662 -3.573 1.00 0.00 C ATOM 1500 CE LYS A 90 10.778 -9.453 -2.525 1.00 0.00 C ATOM 1501 NZ LYS A 90 11.144 -8.554 -1.393 1.00 0.00 N ATOM 0 H LYS A 90 7.415 -5.212 -5.153 1.00 0.00 H new ATOM 0 HA LYS A 90 8.549 -7.866 -5.620 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.665 -6.340 -3.496 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.042 -6.906 -3.159 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.518 -8.429 -2.001 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.931 -9.309 -3.398 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.997 -9.193 -4.525 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.464 -7.695 -3.745 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.180 -10.289 -2.161 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.677 -9.876 -2.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.904 -8.992 -0.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.471 -7.641 -1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.312 -8.402 -0.787 1.00 0.00 H new ATOM 1515 N ARG A 91 6.354 -8.873 -6.452 1.00 0.00 N ATOM 1516 CA ARG A 91 5.124 -9.674 -6.733 1.00 0.00 C ATOM 1517 C ARG A 91 5.428 -11.161 -6.532 1.00 0.00 C ATOM 1518 O ARG A 91 6.567 -11.553 -6.380 1.00 0.00 O ATOM 1519 CB ARG A 91 4.681 -9.432 -8.179 1.00 0.00 C ATOM 1520 CG ARG A 91 5.811 -9.826 -9.144 1.00 0.00 C ATOM 1521 CD ARG A 91 5.791 -8.909 -10.371 1.00 0.00 C ATOM 1522 NE ARG A 91 6.483 -9.581 -11.506 1.00 0.00 N ATOM 1523 CZ ARG A 91 5.825 -10.397 -12.286 1.00 0.00 C ATOM 1524 NH1 ARG A 91 4.557 -10.624 -12.071 1.00 0.00 N ATOM 1525 NH2 ARG A 91 6.434 -10.985 -13.279 1.00 0.00 N ATOM 0 H ARG A 91 7.100 -8.973 -7.141 1.00 0.00 H new ATOM 0 HA ARG A 91 4.327 -9.372 -6.053 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.785 -10.014 -8.397 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.421 -8.383 -8.318 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.774 -9.752 -8.639 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.692 -10.864 -9.453 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.763 -8.674 -10.646 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.283 -7.964 -10.140 1.00 0.00 H new ATOM 0 HE ARG A 91 7.473 -9.404 -11.675 1.00 0.00 H new ATOM 0 HH11 ARG A 91 4.081 -10.164 -11.295 1.00 0.00 H new ATOM 0 HH12 ARG A 91 4.043 -11.261 -12.679 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.424 -10.808 -13.447 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.920 -11.622 -13.887 1.00 0.00 H new ATOM 1539 N ILE A 92 4.416 -11.991 -6.525 1.00 0.00 N ATOM 1540 CA ILE A 92 4.642 -13.455 -6.329 1.00 0.00 C ATOM 1541 C ILE A 92 4.355 -14.204 -7.633 1.00 0.00 C ATOM 1542 O ILE A 92 5.255 -14.657 -8.311 1.00 0.00 O ATOM 1543 CB ILE A 92 3.710 -13.972 -5.231 1.00 0.00 C ATOM 1544 CG1 ILE A 92 3.839 -13.078 -3.994 1.00 0.00 C ATOM 1545 CG2 ILE A 92 4.097 -15.409 -4.865 1.00 0.00 C ATOM 1546 CD1 ILE A 92 3.089 -13.711 -2.818 1.00 0.00 C ATOM 0 H ILE A 92 3.441 -11.717 -6.647 1.00 0.00 H new ATOM 0 HA ILE A 92 5.679 -13.622 -6.039 1.00 0.00 H new ATOM 0 HB ILE A 92 2.681 -13.954 -5.589 1.00 0.00 H new ATOM 0 HG12 ILE A 92 4.890 -12.945 -3.738 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.434 -12.088 -4.205 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.433 -15.777 -4.083 1.00 0.00 H new ATOM 0 HG22 ILE A 92 4.008 -16.045 -5.746 1.00 0.00 H new ATOM 0 HG23 ILE A 92 5.126 -15.428 -4.506 1.00 0.00 H new ATOM 0 HD11 ILE A 92 3.183 -13.072 -1.940 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.036 -13.821 -3.075 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.514 -14.691 -2.601 1.00 0.00 H new ATOM 1558 N PHE A 93 3.106 -14.343 -7.988 1.00 0.00 N ATOM 1559 CA PHE A 93 2.765 -15.070 -9.245 1.00 0.00 C ATOM 1560 C PHE A 93 3.345 -14.320 -10.445 1.00 0.00 C ATOM 1561 O PHE A 93 2.703 -13.468 -11.026 1.00 0.00 O ATOM 1562 CB PHE A 93 1.243 -15.165 -9.387 1.00 0.00 C ATOM 1563 CG PHE A 93 0.622 -15.466 -8.042 1.00 0.00 C ATOM 1564 CD1 PHE A 93 1.100 -16.534 -7.271 1.00 0.00 C ATOM 1565 CD2 PHE A 93 -0.434 -14.679 -7.567 1.00 0.00 C ATOM 1566 CE1 PHE A 93 0.522 -16.813 -6.027 1.00 0.00 C ATOM 1567 CE2 PHE A 93 -1.012 -14.958 -6.322 1.00 0.00 C ATOM 1568 CZ PHE A 93 -0.534 -16.025 -5.552 1.00 0.00 C ATOM 0 H PHE A 93 2.308 -13.985 -7.463 1.00 0.00 H new ATOM 0 HA PHE A 93 3.188 -16.074 -9.207 1.00 0.00 H new ATOM 0 HB2 PHE A 93 0.846 -14.229 -9.780 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.983 -15.946 -10.101 1.00 0.00 H new ATOM 0 HD1 PHE A 93 1.914 -17.142 -7.637 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.803 -13.856 -8.161 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.891 -17.636 -5.433 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.826 -14.350 -5.956 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.979 -16.240 -4.592 1.00 0.00 H new ATOM 1578 N ARG A 94 4.555 -14.635 -10.827 1.00 0.00 N ATOM 1579 CA ARG A 94 5.177 -13.945 -11.995 1.00 0.00 C ATOM 1580 C ARG A 94 5.030 -14.822 -13.240 1.00 0.00 C ATOM 1581 O ARG A 94 5.932 -15.543 -13.614 1.00 0.00 O ATOM 1582 CB ARG A 94 6.663 -13.701 -11.712 1.00 0.00 C ATOM 1583 CG ARG A 94 7.261 -14.921 -11.010 1.00 0.00 C ATOM 1584 CD ARG A 94 8.782 -14.773 -10.940 1.00 0.00 C ATOM 1585 NE ARG A 94 9.382 -16.032 -10.416 1.00 0.00 N ATOM 1586 CZ ARG A 94 10.613 -16.037 -9.981 1.00 0.00 C ATOM 1587 NH1 ARG A 94 11.319 -14.940 -10.011 1.00 0.00 N ATOM 1588 NH2 ARG A 94 11.138 -17.139 -9.520 1.00 0.00 N ATOM 0 H ARG A 94 5.140 -15.341 -10.380 1.00 0.00 H new ATOM 0 HA ARG A 94 4.679 -12.990 -12.162 1.00 0.00 H new ATOM 0 HB2 ARG A 94 7.194 -13.509 -12.644 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.784 -12.815 -11.089 1.00 0.00 H new ATOM 0 HG2 ARG A 94 6.847 -15.016 -10.006 1.00 0.00 H new ATOM 0 HG3 ARG A 94 6.998 -15.830 -11.550 1.00 0.00 H new ATOM 0 HD2 ARG A 94 9.182 -14.552 -11.929 1.00 0.00 H new ATOM 0 HD3 ARG A 94 9.047 -13.936 -10.294 1.00 0.00 H new ATOM 0 HE ARG A 94 8.831 -16.890 -10.397 1.00 0.00 H new ATOM 0 HH11 ARG A 94 10.909 -14.079 -10.374 1.00 0.00 H new ATOM 0 HH12 ARG A 94 12.281 -14.943 -9.671 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.587 -17.997 -9.499 1.00 0.00 H new ATOM 0 HH22 ARG A 94 12.100 -17.143 -9.180 1.00 0.00 H new ATOM 1602 N TYR A 95 3.896 -14.766 -13.884 1.00 0.00 N ATOM 1603 CA TYR A 95 3.693 -15.597 -15.104 1.00 0.00 C ATOM 1604 C TYR A 95 4.064 -17.049 -14.794 1.00 0.00 C ATOM 1605 O TYR A 95 4.129 -17.452 -13.650 1.00 0.00 O ATOM 1606 CB TYR A 95 4.581 -15.071 -16.233 1.00 0.00 C ATOM 1607 CG TYR A 95 4.074 -13.722 -16.685 1.00 0.00 C ATOM 1608 CD1 TYR A 95 2.887 -13.632 -17.422 1.00 0.00 C ATOM 1609 CD2 TYR A 95 4.790 -12.562 -16.366 1.00 0.00 C ATOM 1610 CE1 TYR A 95 2.416 -12.382 -17.841 1.00 0.00 C ATOM 1611 CE2 TYR A 95 4.318 -11.311 -16.786 1.00 0.00 C ATOM 1612 CZ TYR A 95 3.131 -11.222 -17.523 1.00 0.00 C ATOM 1613 OH TYR A 95 2.666 -9.989 -17.936 1.00 0.00 O ATOM 0 H TYR A 95 3.103 -14.182 -13.619 1.00 0.00 H new ATOM 0 HA TYR A 95 2.649 -15.546 -15.412 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.612 -14.988 -15.890 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.578 -15.771 -17.068 1.00 0.00 H new ATOM 0 HD1 TYR A 95 2.335 -14.527 -17.667 1.00 0.00 H new ATOM 0 HD2 TYR A 95 5.705 -12.631 -15.797 1.00 0.00 H new ATOM 0 HE1 TYR A 95 1.501 -12.313 -18.410 1.00 0.00 H new ATOM 0 HE2 TYR A 95 4.870 -10.416 -16.541 1.00 0.00 H new ATOM 0 HH TYR A 95 3.280 -9.289 -17.631 1.00 0.00 H new