USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 731 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 70 ASN : amide:sc= 0.191 K(o=0.19,f=-5.6!) USER MOD Set 1.2: A 82 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 22 HIS :FLIP no HE2:sc= 0.129 F(o=-3.8,f=-0.61) USER MOD Set 2.2: A 45 MET CE :methyl 158:sc= -0.739 (180deg=-0.661) USER MOD Set 3.1: A 43 SER OG : rot -39:sc= 0.457 USER MOD Set 3.2: A 44 THR OG1 : rot 180:sc= 0.0566 USER MOD Set 4.1: A 26 MET CE :methyl -113:sc= -1.89 (180deg=-3.06!) USER MOD Set 4.2: A 40 HIS : no HD1:sc= -1.57 K(o=-3.5,f=-5.6!) USER MOD Single : A 3 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 5 LYS NZ :NH3+ -118:sc= -1.32 (180deg=-2.41!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0174 K(o=-0.017,f=-0.54) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 164:sc= 0.819 (180deg=0.659) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0472 USER MOD Single : A 47 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.35) USER MOD Single : A 48 ASN : amide:sc= -0.364 K(o=-0.36,f=-1.1) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 53 SER OG : rot -160:sc= -0.824 USER MOD Single : A 60 SER OG : rot -70:sc= 0.098 USER MOD Single : A 67 THR OG1 : rot 47:sc= 0.942 USER MOD Single : A 72 THR OG1 : rot 78:sc= 0.715 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.109 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -10.995 8.971 4.665 1.00 0.00 N ATOM 21 CA VAL A 2 -9.592 9.371 4.634 1.00 0.00 C ATOM 22 C VAL A 2 -8.980 9.103 3.261 1.00 0.00 C ATOM 23 O VAL A 2 -8.647 7.962 2.931 1.00 0.00 O ATOM 24 CB VAL A 2 -8.762 8.639 5.712 1.00 0.00 C ATOM 25 CG1 VAL A 2 -7.417 9.320 5.899 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.520 8.575 7.031 1.00 0.00 C ATOM 0 HA VAL A 2 -9.565 10.440 4.843 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.588 7.618 5.374 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -6.845 8.792 6.662 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.868 9.305 4.958 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.572 10.353 6.212 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.915 8.055 7.774 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.731 9.586 7.379 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.457 8.038 6.886 1.00 0.00 H new ATOM 36 N ASN A 3 -8.836 10.162 2.465 1.00 0.00 N ATOM 37 CA ASN A 3 -8.261 10.043 1.128 1.00 0.00 C ATOM 38 C ASN A 3 -6.740 9.985 1.203 1.00 0.00 C ATOM 39 O ASN A 3 -6.105 10.864 1.790 1.00 0.00 O ATOM 40 CB ASN A 3 -8.694 11.217 0.244 1.00 0.00 C ATOM 41 CG ASN A 3 -10.203 11.348 0.128 1.00 0.00 C ATOM 42 OD1 ASN A 3 -10.947 10.409 0.415 1.00 0.00 O ATOM 43 ND2 ASN A 3 -10.662 12.520 -0.295 1.00 0.00 N ATOM 0 H ASN A 3 -9.109 11.110 2.723 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.629 9.118 0.685 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.285 12.142 0.651 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -8.268 11.091 -0.751 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.666 12.669 -0.393 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -10.010 13.271 -0.522 1.00 0.00 H new ATOM 50 N VAL A 4 -6.161 8.941 0.614 1.00 0.00 N ATOM 51 CA VAL A 4 -4.712 8.761 0.622 1.00 0.00 C ATOM 52 C VAL A 4 -4.166 8.521 -0.787 1.00 0.00 C ATOM 53 O VAL A 4 -4.771 7.801 -1.584 1.00 0.00 O ATOM 54 CB VAL A 4 -4.304 7.587 1.537 1.00 0.00 C ATOM 55 CG1 VAL A 4 -4.638 7.901 2.989 1.00 0.00 C ATOM 56 CG2 VAL A 4 -4.984 6.297 1.102 1.00 0.00 C ATOM 0 H VAL A 4 -6.674 8.207 0.125 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.281 9.684 1.010 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.226 7.449 1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.343 7.062 3.620 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -4.100 8.796 3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.710 8.070 3.087 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.680 5.485 1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -6.066 6.421 1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.694 6.060 0.078 1.00 0.00 H new ATOM 66 N LYS A 5 -3.016 9.131 -1.083 1.00 0.00 N ATOM 67 CA LYS A 5 -2.379 8.988 -2.392 1.00 0.00 C ATOM 68 C LYS A 5 -1.142 8.096 -2.301 1.00 0.00 C ATOM 69 O LYS A 5 -0.183 8.420 -1.597 1.00 0.00 O ATOM 70 CB LYS A 5 -1.992 10.360 -2.953 1.00 0.00 C ATOM 71 CG LYS A 5 -1.650 10.335 -4.436 1.00 0.00 C ATOM 72 CD LYS A 5 -0.340 11.057 -4.723 1.00 0.00 C ATOM 73 CE LYS A 5 -0.567 12.493 -5.178 1.00 0.00 C ATOM 74 NZ LYS A 5 -1.545 12.588 -6.301 1.00 0.00 N ATOM 0 H LYS A 5 -2.507 9.729 -0.432 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.097 8.519 -3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.815 11.056 -2.790 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.136 10.743 -2.397 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.578 9.302 -4.776 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.455 10.802 -5.003 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.279 11.055 -3.826 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.211 10.516 -5.492 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.926 13.085 -4.336 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.383 12.926 -5.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.075 12.989 -7.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.906 11.639 -6.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.337 13.202 -6.021 1.00 0.00 H new ATOM 88 N VAL A 6 -1.172 6.973 -3.019 1.00 0.00 N ATOM 89 CA VAL A 6 -0.055 6.030 -3.023 1.00 0.00 C ATOM 90 C VAL A 6 0.531 5.866 -4.426 1.00 0.00 C ATOM 91 O VAL A 6 -0.164 6.051 -5.426 1.00 0.00 O ATOM 92 CB VAL A 6 -0.479 4.645 -2.486 1.00 0.00 C ATOM 93 CG1 VAL A 6 -0.949 4.749 -1.042 1.00 0.00 C ATOM 94 CG2 VAL A 6 -1.563 4.030 -3.362 1.00 0.00 C ATOM 0 H VAL A 6 -1.959 6.695 -3.606 1.00 0.00 H new ATOM 0 HA VAL A 6 0.707 6.447 -2.364 1.00 0.00 H new ATOM 0 HB VAL A 6 0.392 3.990 -2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.243 3.763 -0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.139 5.134 -0.423 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.802 5.425 -0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.844 3.055 -2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.436 4.683 -3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.186 3.911 -4.378 1.00 0.00 H new ATOM 104 N GLU A 7 1.813 5.513 -4.488 1.00 0.00 N ATOM 105 CA GLU A 7 2.501 5.316 -5.761 1.00 0.00 C ATOM 106 C GLU A 7 3.150 3.935 -5.815 1.00 0.00 C ATOM 107 O GLU A 7 3.396 3.318 -4.779 1.00 0.00 O ATOM 108 CB GLU A 7 3.562 6.401 -5.963 1.00 0.00 C ATOM 109 CG GLU A 7 3.349 7.236 -7.215 1.00 0.00 C ATOM 110 CD GLU A 7 3.275 8.722 -6.920 1.00 0.00 C ATOM 111 OE1 GLU A 7 2.286 9.154 -6.289 1.00 0.00 O ATOM 112 OE2 GLU A 7 4.204 9.454 -7.321 1.00 0.00 O ATOM 0 H GLU A 7 2.398 5.357 -3.667 1.00 0.00 H new ATOM 0 HA GLU A 7 1.765 5.385 -6.562 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.566 7.059 -5.094 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.545 5.932 -6.012 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.163 7.049 -7.915 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.428 6.920 -7.705 1.00 0.00 H new ATOM 119 N PHE A 8 3.425 3.452 -7.025 1.00 0.00 N ATOM 120 CA PHE A 8 4.049 2.141 -7.199 1.00 0.00 C ATOM 121 C PHE A 8 4.696 2.012 -8.577 1.00 0.00 C ATOM 122 O PHE A 8 4.226 2.598 -9.555 1.00 0.00 O ATOM 123 CB PHE A 8 3.023 1.022 -6.989 1.00 0.00 C ATOM 124 CG PHE A 8 1.747 1.221 -7.754 1.00 0.00 C ATOM 125 CD1 PHE A 8 1.723 1.076 -9.130 1.00 0.00 C ATOM 126 CD2 PHE A 8 0.576 1.561 -7.098 1.00 0.00 C ATOM 127 CE1 PHE A 8 0.557 1.264 -9.838 1.00 0.00 C ATOM 128 CE2 PHE A 8 -0.596 1.751 -7.802 1.00 0.00 C ATOM 129 CZ PHE A 8 -0.606 1.604 -9.175 1.00 0.00 C ATOM 0 H PHE A 8 3.227 3.945 -7.896 1.00 0.00 H new ATOM 0 HA PHE A 8 4.832 2.046 -6.447 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.469 0.072 -7.285 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.791 0.948 -5.926 1.00 0.00 H new ATOM 0 HD1 PHE A 8 2.629 0.812 -9.655 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.580 1.679 -6.024 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.552 1.146 -10.911 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.504 2.014 -7.280 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.521 1.754 -9.729 1.00 0.00 H new ATOM 139 N LEU A 9 5.784 1.245 -8.636 1.00 0.00 N ATOM 140 CA LEU A 9 6.525 1.027 -9.878 1.00 0.00 C ATOM 141 C LEU A 9 6.942 -0.438 -10.021 1.00 0.00 C ATOM 142 O LEU A 9 6.690 -1.257 -9.133 1.00 0.00 O ATOM 143 CB LEU A 9 7.780 1.907 -9.909 1.00 0.00 C ATOM 144 CG LEU A 9 7.541 3.417 -9.980 1.00 0.00 C ATOM 145 CD1 LEU A 9 6.621 3.764 -11.143 1.00 0.00 C ATOM 146 CD2 LEU A 9 6.976 3.936 -8.664 1.00 0.00 C ATOM 0 H LEU A 9 6.175 0.759 -7.829 1.00 0.00 H new ATOM 0 HA LEU A 9 5.867 1.291 -10.706 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.370 1.694 -9.018 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.383 1.614 -10.768 1.00 0.00 H new ATOM 0 HG LEU A 9 8.500 3.906 -10.152 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.465 4.842 -11.174 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.076 3.436 -12.077 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.662 3.262 -11.011 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.814 5.011 -8.737 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.029 3.439 -8.454 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.681 3.729 -7.859 1.00 0.00 H new ATOM 158 N GLY A 10 7.594 -0.753 -11.141 1.00 0.00 N ATOM 159 CA GLY A 10 8.053 -2.109 -11.387 1.00 0.00 C ATOM 160 C GLY A 10 6.955 -3.017 -11.900 1.00 0.00 C ATOM 161 O GLY A 10 6.501 -2.870 -13.035 1.00 0.00 O ATOM 0 H GLY A 10 7.812 -0.089 -11.884 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.867 -2.086 -12.111 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.459 -2.523 -10.464 1.00 0.00 H new ATOM 165 N GLY A 11 6.532 -3.959 -11.061 1.00 0.00 N ATOM 166 CA GLY A 11 5.482 -4.887 -11.445 1.00 0.00 C ATOM 167 C GLY A 11 4.101 -4.443 -10.986 1.00 0.00 C ATOM 168 O GLY A 11 3.094 -4.836 -11.576 1.00 0.00 O ATOM 0 H GLY A 11 6.899 -4.096 -10.119 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.481 -4.997 -12.529 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.701 -5.869 -11.025 1.00 0.00 H new ATOM 172 N LEU A 12 4.053 -3.621 -9.932 1.00 0.00 N ATOM 173 CA LEU A 12 2.788 -3.122 -9.393 1.00 0.00 C ATOM 174 C LEU A 12 1.958 -2.430 -10.472 1.00 0.00 C ATOM 175 O LEU A 12 0.760 -2.683 -10.595 1.00 0.00 O ATOM 176 CB LEU A 12 3.046 -2.153 -8.234 1.00 0.00 C ATOM 177 CG LEU A 12 3.213 -2.804 -6.858 1.00 0.00 C ATOM 178 CD1 LEU A 12 1.892 -3.388 -6.380 1.00 0.00 C ATOM 179 CD2 LEU A 12 4.291 -3.877 -6.901 1.00 0.00 C ATOM 0 H LEU A 12 4.879 -3.288 -9.436 1.00 0.00 H new ATOM 0 HA LEU A 12 2.224 -3.979 -9.026 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.945 -1.578 -8.457 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.219 -1.445 -8.184 1.00 0.00 H new ATOM 0 HG LEU A 12 3.524 -2.036 -6.150 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.030 -3.846 -5.401 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.148 -2.594 -6.308 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.550 -4.142 -7.089 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.395 -4.328 -5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.012 -4.644 -7.623 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.239 -3.428 -7.197 1.00 0.00 H new ATOM 191 N ASP A 13 2.602 -1.562 -11.255 1.00 0.00 N ATOM 192 CA ASP A 13 1.915 -0.841 -12.328 1.00 0.00 C ATOM 193 C ASP A 13 1.359 -1.808 -13.374 1.00 0.00 C ATOM 194 O ASP A 13 0.335 -1.532 -13.995 1.00 0.00 O ATOM 195 CB ASP A 13 2.854 0.174 -12.996 1.00 0.00 C ATOM 196 CG ASP A 13 4.143 -0.450 -13.500 1.00 0.00 C ATOM 197 OD1 ASP A 13 4.120 -1.072 -14.583 1.00 0.00 O ATOM 198 OD2 ASP A 13 5.173 -0.316 -12.809 1.00 0.00 O ATOM 0 H ASP A 13 3.594 -1.342 -11.167 1.00 0.00 H new ATOM 0 HA ASP A 13 1.081 -0.302 -11.879 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.335 0.646 -13.830 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.094 0.963 -12.283 1.00 0.00 H new ATOM 203 N ALA A 14 2.035 -2.942 -13.560 1.00 0.00 N ATOM 204 CA ALA A 14 1.597 -3.943 -14.527 1.00 0.00 C ATOM 205 C ALA A 14 0.434 -4.771 -13.980 1.00 0.00 C ATOM 206 O ALA A 14 -0.488 -5.119 -14.718 1.00 0.00 O ATOM 207 CB ALA A 14 2.757 -4.850 -14.920 1.00 0.00 C ATOM 0 H ALA A 14 2.886 -3.188 -13.054 1.00 0.00 H new ATOM 0 HA ALA A 14 1.247 -3.418 -15.416 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.412 -5.590 -15.642 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.552 -4.252 -15.366 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.138 -5.358 -14.034 1.00 0.00 H new ATOM 213 N ILE A 15 0.482 -5.086 -12.686 1.00 0.00 N ATOM 214 CA ILE A 15 -0.568 -5.879 -12.048 1.00 0.00 C ATOM 215 C ILE A 15 -1.833 -5.051 -11.802 1.00 0.00 C ATOM 216 O ILE A 15 -2.943 -5.518 -12.056 1.00 0.00 O ATOM 217 CB ILE A 15 -0.099 -6.479 -10.704 1.00 0.00 C ATOM 218 CG1 ILE A 15 1.230 -7.223 -10.868 1.00 0.00 C ATOM 219 CG2 ILE A 15 -1.161 -7.412 -10.143 1.00 0.00 C ATOM 220 CD1 ILE A 15 1.990 -7.395 -9.570 1.00 0.00 C ATOM 0 H ILE A 15 1.236 -4.804 -12.060 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.796 -6.689 -12.741 1.00 0.00 H new ATOM 0 HB ILE A 15 0.056 -5.659 -10.002 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.037 -8.205 -11.299 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.856 -6.681 -11.577 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.817 -7.827 -9.196 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.085 -6.856 -9.981 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.344 -8.222 -10.849 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.920 -7.930 -9.761 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.215 -6.416 -9.147 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.383 -7.964 -8.866 1.00 0.00 H new ATOM 232 N PHE A 16 -1.659 -3.828 -11.297 1.00 0.00 N ATOM 233 CA PHE A 16 -2.791 -2.945 -11.005 1.00 0.00 C ATOM 234 C PHE A 16 -3.619 -2.661 -12.259 1.00 0.00 C ATOM 235 O PHE A 16 -4.755 -3.121 -12.377 1.00 0.00 O ATOM 236 CB PHE A 16 -2.300 -1.626 -10.396 1.00 0.00 C ATOM 237 CG PHE A 16 -2.370 -1.586 -8.893 1.00 0.00 C ATOM 238 CD1 PHE A 16 -3.577 -1.364 -8.247 1.00 0.00 C ATOM 239 CD2 PHE A 16 -1.228 -1.762 -8.127 1.00 0.00 C ATOM 240 CE1 PHE A 16 -3.643 -1.321 -6.867 1.00 0.00 C ATOM 241 CE2 PHE A 16 -1.289 -1.722 -6.747 1.00 0.00 C ATOM 242 CZ PHE A 16 -2.497 -1.499 -6.117 1.00 0.00 C ATOM 0 H PHE A 16 -0.746 -3.426 -11.082 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.429 -3.458 -10.285 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.269 -1.455 -10.707 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.895 -0.807 -10.800 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.476 -1.223 -8.829 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.279 -1.932 -8.615 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.589 -1.148 -6.376 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.393 -1.865 -6.162 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.546 -1.464 -5.039 1.00 0.00 H new ATOM 252 N GLY A 17 -3.044 -1.896 -13.184 1.00 0.00 N ATOM 253 CA GLY A 17 -3.742 -1.556 -14.413 1.00 0.00 C ATOM 254 C GLY A 17 -3.022 -0.486 -15.211 1.00 0.00 C ATOM 255 O GLY A 17 -3.639 0.479 -15.665 1.00 0.00 O ATOM 0 H GLY A 17 -2.105 -1.505 -13.104 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.850 -2.451 -15.026 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.748 -1.211 -14.173 1.00 0.00 H new ATOM 259 N LYS A 18 -1.711 -0.658 -15.374 1.00 0.00 N ATOM 260 CA LYS A 18 -0.885 0.296 -16.114 1.00 0.00 C ATOM 261 C LYS A 18 -1.005 1.701 -15.516 1.00 0.00 C ATOM 262 O LYS A 18 -1.154 2.687 -16.241 1.00 0.00 O ATOM 263 CB LYS A 18 -1.276 0.309 -17.599 1.00 0.00 C ATOM 264 CG LYS A 18 -1.401 -1.080 -18.215 1.00 0.00 C ATOM 265 CD LYS A 18 -0.463 -1.259 -19.401 1.00 0.00 C ATOM 266 CE LYS A 18 0.999 -1.200 -18.977 1.00 0.00 C ATOM 267 NZ LYS A 18 1.675 -2.525 -19.084 1.00 0.00 N ATOM 0 H LYS A 18 -1.195 -1.455 -15.001 1.00 0.00 H new ATOM 0 HA LYS A 18 0.155 -0.021 -16.032 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.226 0.832 -17.710 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.531 0.878 -18.156 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.180 -1.834 -17.460 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.429 -1.244 -18.537 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.664 -2.216 -19.883 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.659 -0.483 -20.140 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.526 -0.475 -19.598 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.062 -0.845 -17.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.667 -2.434 -18.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.191 -3.212 -18.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.640 -2.854 -20.070 1.00 0.00 H new ATOM 281 N GLN A 19 -0.939 1.781 -14.185 1.00 0.00 N ATOM 282 CA GLN A 19 -1.040 3.057 -13.479 1.00 0.00 C ATOM 283 C GLN A 19 0.209 3.314 -12.635 1.00 0.00 C ATOM 284 O GLN A 19 1.156 2.527 -12.656 1.00 0.00 O ATOM 285 CB GLN A 19 -2.287 3.071 -12.585 1.00 0.00 C ATOM 286 CG GLN A 19 -3.501 3.721 -13.232 1.00 0.00 C ATOM 287 CD GLN A 19 -4.588 4.061 -12.225 1.00 0.00 C ATOM 288 OE1 GLN A 19 -4.308 4.578 -11.144 1.00 0.00 O ATOM 289 NE2 GLN A 19 -5.837 3.771 -12.575 1.00 0.00 N ATOM 0 H GLN A 19 -0.816 0.973 -13.574 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.123 3.850 -14.222 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.538 2.046 -12.312 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.054 3.599 -11.661 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.191 4.630 -13.747 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -3.908 3.050 -13.988 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.026 3.342 -13.481 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.606 3.977 -11.938 1.00 0.00 H new ATOM 298 N ARG A 20 0.201 4.419 -11.890 1.00 0.00 N ATOM 299 CA ARG A 20 1.327 4.782 -11.031 1.00 0.00 C ATOM 300 C ARG A 20 0.832 5.344 -9.699 1.00 0.00 C ATOM 301 O ARG A 20 1.180 4.833 -8.633 1.00 0.00 O ATOM 302 CB ARG A 20 2.226 5.805 -11.733 1.00 0.00 C ATOM 303 CG ARG A 20 3.614 5.274 -12.058 1.00 0.00 C ATOM 304 CD ARG A 20 4.006 5.576 -13.498 1.00 0.00 C ATOM 305 NE ARG A 20 5.445 5.804 -13.640 1.00 0.00 N ATOM 306 CZ ARG A 20 6.056 6.950 -13.326 1.00 0.00 C ATOM 307 NH1 ARG A 20 5.360 7.977 -12.844 1.00 0.00 N ATOM 308 NH2 ARG A 20 7.368 7.069 -13.492 1.00 0.00 N ATOM 0 H ARG A 20 -0.575 5.080 -11.864 1.00 0.00 H new ATOM 0 HA ARG A 20 1.908 3.881 -10.832 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.744 6.127 -12.656 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.323 6.687 -11.099 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.343 5.720 -11.381 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.641 4.197 -11.891 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.706 4.745 -14.137 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.464 6.456 -13.844 1.00 0.00 H new ATOM 0 HE ARG A 20 6.017 5.040 -14.001 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.352 7.893 -12.712 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.835 8.848 -12.607 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.909 6.286 -13.859 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.835 7.944 -13.253 1.00 0.00 H new ATOM 322 N VAL A 21 0.015 6.396 -9.772 1.00 0.00 N ATOM 323 CA VAL A 21 -0.535 7.033 -8.579 1.00 0.00 C ATOM 324 C VAL A 21 -1.969 6.569 -8.323 1.00 0.00 C ATOM 325 O VAL A 21 -2.860 6.797 -9.143 1.00 0.00 O ATOM 326 CB VAL A 21 -0.519 8.572 -8.702 1.00 0.00 C ATOM 327 CG1 VAL A 21 -0.894 9.222 -7.380 1.00 0.00 C ATOM 328 CG2 VAL A 21 0.841 9.067 -9.175 1.00 0.00 C ATOM 0 H VAL A 21 -0.280 6.825 -10.649 1.00 0.00 H new ATOM 0 HA VAL A 21 0.097 6.738 -7.742 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.261 8.857 -9.447 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.876 10.306 -7.490 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.895 8.903 -7.089 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.180 8.923 -6.612 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.825 10.154 -9.253 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.607 8.766 -8.460 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.066 8.636 -10.151 1.00 0.00 H new ATOM 338 N HIS A 22 -2.182 5.917 -7.181 1.00 0.00 N ATOM 339 CA HIS A 22 -3.505 5.419 -6.813 1.00 0.00 C ATOM 340 C HIS A 22 -4.055 6.159 -5.594 1.00 0.00 C ATOM 341 O HIS A 22 -3.295 6.669 -4.768 1.00 0.00 O ATOM 342 CB HIS A 22 -3.445 3.915 -6.523 1.00 0.00 C ATOM 343 CG HIS A 22 -4.328 3.094 -7.415 1.00 0.00 C ATOM 344 ND1 HIS A 22 -4.025 2.138 -8.325 1.00 0.00 N flip ATOM 345 CD2 HIS A 22 -5.703 3.210 -7.430 1.00 0.00 C flip ATOM 346 CE1 HIS A 22 -5.208 1.700 -8.866 1.00 0.00 C flip ATOM 347 NE2 HIS A 22 -6.205 2.361 -8.309 1.00 0.00 N flip ATOM 0 H HIS A 22 -1.454 5.721 -6.494 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.175 5.598 -7.654 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.416 3.574 -6.632 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.730 3.742 -5.485 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -3.091 1.805 -8.564 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -6.279 3.889 -6.819 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -5.307 0.938 -9.625 1.00 0.00 H new ATOM 356 N LYS A 23 -5.383 6.210 -5.490 1.00 0.00 N ATOM 357 CA LYS A 23 -6.046 6.879 -4.375 1.00 0.00 C ATOM 358 C LYS A 23 -7.003 5.925 -3.663 1.00 0.00 C ATOM 359 O LYS A 23 -7.953 5.424 -4.267 1.00 0.00 O ATOM 360 CB LYS A 23 -6.809 8.111 -4.869 1.00 0.00 C ATOM 361 CG LYS A 23 -6.853 9.245 -3.858 1.00 0.00 C ATOM 362 CD LYS A 23 -5.683 10.201 -4.038 1.00 0.00 C ATOM 363 CE LYS A 23 -5.937 11.532 -3.345 1.00 0.00 C ATOM 364 NZ LYS A 23 -6.830 12.421 -4.143 1.00 0.00 N ATOM 0 H LYS A 23 -6.021 5.794 -6.168 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.281 7.197 -3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.345 8.472 -5.787 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.829 7.820 -5.121 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.790 9.792 -3.964 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.836 8.834 -2.849 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.777 9.748 -3.636 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.511 10.370 -5.101 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.386 11.351 -2.368 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.986 12.036 -3.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.975 13.316 -3.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.391 12.616 -5.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.747 11.952 -4.288 1.00 0.00 H new ATOM 378 N ILE A 24 -6.747 5.680 -2.380 1.00 0.00 N ATOM 379 CA ILE A 24 -7.588 4.784 -1.588 1.00 0.00 C ATOM 380 C ILE A 24 -8.578 5.575 -0.735 1.00 0.00 C ATOM 381 O ILE A 24 -8.252 6.649 -0.223 1.00 0.00 O ATOM 382 CB ILE A 24 -6.746 3.870 -0.670 1.00 0.00 C ATOM 383 CG1 ILE A 24 -5.635 3.180 -1.467 1.00 0.00 C ATOM 384 CG2 ILE A 24 -7.633 2.835 0.012 1.00 0.00 C ATOM 385 CD1 ILE A 24 -4.392 4.026 -1.637 1.00 0.00 C ATOM 0 H ILE A 24 -5.966 6.088 -1.867 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.135 4.160 -2.295 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.284 4.490 0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.365 2.250 -0.967 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.019 2.912 -2.451 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.023 2.200 0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.387 3.342 0.614 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.124 2.222 -0.744 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.650 3.471 -2.211 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.647 4.945 -2.165 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.983 4.272 -0.657 1.00 0.00 H new ATOM 397 N LYS A 25 -9.791 5.036 -0.593 1.00 0.00 N ATOM 398 CA LYS A 25 -10.838 5.686 0.190 1.00 0.00 C ATOM 399 C LYS A 25 -11.232 4.839 1.403 1.00 0.00 C ATOM 400 O LYS A 25 -12.245 4.134 1.383 1.00 0.00 O ATOM 401 CB LYS A 25 -12.063 5.951 -0.690 1.00 0.00 C ATOM 402 CG LYS A 25 -13.008 6.997 -0.118 1.00 0.00 C ATOM 403 CD LYS A 25 -14.463 6.581 -0.270 1.00 0.00 C ATOM 404 CE LYS A 25 -14.913 6.640 -1.722 1.00 0.00 C ATOM 405 NZ LYS A 25 -15.878 5.554 -2.056 1.00 0.00 N ATOM 0 H LYS A 25 -10.070 4.149 -1.012 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.447 6.635 0.556 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.729 6.275 -1.676 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.609 5.018 -0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.782 7.154 0.937 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.847 7.949 -0.624 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.594 5.568 0.111 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -15.094 7.233 0.334 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.375 7.608 -1.919 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.043 6.564 -2.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.157 5.633 -3.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.430 4.630 -1.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.721 5.641 -1.453 1.00 0.00 H new ATOM 419 N MET A 26 -10.427 4.921 2.463 1.00 0.00 N ATOM 420 CA MET A 26 -10.694 4.173 3.690 1.00 0.00 C ATOM 421 C MET A 26 -11.582 4.984 4.627 1.00 0.00 C ATOM 422 O MET A 26 -11.135 5.958 5.237 1.00 0.00 O ATOM 423 CB MET A 26 -9.384 3.800 4.393 1.00 0.00 C ATOM 424 CG MET A 26 -9.523 2.643 5.370 1.00 0.00 C ATOM 425 SD MET A 26 -8.091 1.547 5.352 1.00 0.00 S ATOM 426 CE MET A 26 -8.863 -0.045 5.640 1.00 0.00 C ATOM 0 H MET A 26 -9.586 5.497 2.496 1.00 0.00 H new ATOM 0 HA MET A 26 -11.216 3.254 3.422 1.00 0.00 H new ATOM 0 HB2 MET A 26 -8.639 3.541 3.641 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.008 4.672 4.927 1.00 0.00 H new ATOM 0 HG2 MET A 26 -9.662 3.037 6.377 1.00 0.00 H new ATOM 0 HG3 MET A 26 -10.418 2.070 5.125 1.00 0.00 H new ATOM 0 HE1 MET A 26 -8.557 -0.427 6.614 1.00 0.00 H new ATOM 0 HE2 MET A 26 -9.947 0.067 5.618 1.00 0.00 H new ATOM 0 HE3 MET A 26 -8.555 -0.745 4.863 1.00 0.00 H new ATOM 436 N ASP A 27 -12.842 4.578 4.732 1.00 0.00 N ATOM 437 CA ASP A 27 -13.803 5.264 5.589 1.00 0.00 C ATOM 438 C ASP A 27 -13.872 4.612 6.973 1.00 0.00 C ATOM 439 O ASP A 27 -14.958 4.414 7.521 1.00 0.00 O ATOM 440 CB ASP A 27 -15.191 5.262 4.934 1.00 0.00 C ATOM 441 CG ASP A 27 -15.576 3.908 4.364 1.00 0.00 C ATOM 442 OD1 ASP A 27 -15.429 2.893 5.076 1.00 0.00 O ATOM 443 OD2 ASP A 27 -16.021 3.863 3.202 1.00 0.00 O ATOM 0 H ASP A 27 -13.223 3.774 4.233 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.469 6.294 5.716 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -15.935 5.565 5.671 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -15.212 6.005 4.137 1.00 0.00 H new ATOM 448 N LYS A 28 -12.705 4.288 7.534 1.00 0.00 N ATOM 449 CA LYS A 28 -12.625 3.665 8.853 1.00 0.00 C ATOM 450 C LYS A 28 -12.525 4.733 9.949 1.00 0.00 C ATOM 451 O LYS A 28 -12.844 5.902 9.717 1.00 0.00 O ATOM 452 CB LYS A 28 -11.419 2.714 8.907 1.00 0.00 C ATOM 453 CG LYS A 28 -11.709 1.386 9.592 1.00 0.00 C ATOM 454 CD LYS A 28 -10.501 0.894 10.377 1.00 0.00 C ATOM 455 CE LYS A 28 -10.797 -0.396 11.127 1.00 0.00 C ATOM 456 NZ LYS A 28 -10.544 -1.604 10.291 1.00 0.00 N ATOM 0 H LYS A 28 -11.800 4.448 7.092 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.534 3.089 9.028 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.076 2.520 7.891 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.601 3.210 9.430 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.560 1.499 10.263 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.988 0.642 8.845 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.666 0.734 9.695 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.191 1.662 11.085 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.181 -0.442 12.025 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.837 -0.394 11.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.493 -2.444 10.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.318 -1.720 9.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.644 -1.491 9.781 1.00 0.00 H new ATOM 470 N GLU A 29 -12.086 4.326 11.139 1.00 0.00 N ATOM 471 CA GLU A 29 -11.946 5.241 12.269 1.00 0.00 C ATOM 472 C GLU A 29 -10.877 6.300 11.999 1.00 0.00 C ATOM 473 O GLU A 29 -10.350 6.399 10.889 1.00 0.00 O ATOM 474 CB GLU A 29 -11.587 4.450 13.531 1.00 0.00 C ATOM 475 CG GLU A 29 -12.793 3.995 14.334 1.00 0.00 C ATOM 476 CD GLU A 29 -13.695 3.059 13.553 1.00 0.00 C ATOM 477 OE1 GLU A 29 -14.610 3.555 12.864 1.00 0.00 O ATOM 478 OE2 GLU A 29 -13.480 1.831 13.625 1.00 0.00 O ATOM 0 H GLU A 29 -11.820 3.363 11.345 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.898 5.752 12.413 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.001 3.576 13.246 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.951 5.067 14.166 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.453 3.494 15.240 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.366 4.868 14.648 1.00 0.00 H new ATOM 485 N ASP A 30 -10.554 7.086 13.023 1.00 0.00 N ATOM 486 CA ASP A 30 -9.541 8.129 12.896 1.00 0.00 C ATOM 487 C ASP A 30 -8.134 7.555 13.087 1.00 0.00 C ATOM 488 O ASP A 30 -7.267 7.740 12.231 1.00 0.00 O ATOM 489 CB ASP A 30 -9.789 9.251 13.908 1.00 0.00 C ATOM 490 CG ASP A 30 -10.136 10.569 13.243 1.00 0.00 C ATOM 491 OD1 ASP A 30 -9.203 11.301 12.852 1.00 0.00 O ATOM 492 OD2 ASP A 30 -11.342 10.871 13.118 1.00 0.00 O ATOM 0 H ASP A 30 -10.978 7.020 13.948 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.613 8.540 11.889 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.600 8.960 14.576 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.900 9.382 14.525 1.00 0.00 H new ATOM 497 N PRO A 31 -7.878 6.850 14.213 1.00 0.00 N ATOM 498 CA PRO A 31 -6.568 6.260 14.501 1.00 0.00 C ATOM 499 C PRO A 31 -6.325 4.955 13.734 1.00 0.00 C ATOM 500 O PRO A 31 -5.930 3.943 14.317 1.00 0.00 O ATOM 501 CB PRO A 31 -6.611 5.995 16.020 1.00 0.00 C ATOM 502 CG PRO A 31 -7.936 6.504 16.499 1.00 0.00 C ATOM 503 CD PRO A 31 -8.828 6.572 15.295 1.00 0.00 C ATOM 0 HA PRO A 31 -5.756 6.920 14.195 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.504 4.931 16.232 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.792 6.505 16.527 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.356 5.841 17.255 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.831 7.486 16.959 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.365 5.637 15.134 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.578 7.358 15.389 1.00 0.00 H new ATOM 511 N VAL A 32 -6.554 4.987 12.420 1.00 0.00 N ATOM 512 CA VAL A 32 -6.355 3.813 11.573 1.00 0.00 C ATOM 513 C VAL A 32 -4.884 3.664 11.200 1.00 0.00 C ATOM 514 O VAL A 32 -4.271 4.600 10.689 1.00 0.00 O ATOM 515 CB VAL A 32 -7.197 3.894 10.282 1.00 0.00 C ATOM 516 CG1 VAL A 32 -7.086 2.605 9.483 1.00 0.00 C ATOM 517 CG2 VAL A 32 -8.650 4.197 10.608 1.00 0.00 C ATOM 0 H VAL A 32 -6.878 5.815 11.920 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.679 2.945 12.147 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.805 4.708 9.672 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.688 2.685 8.578 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.044 2.433 9.212 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.447 1.771 10.085 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.227 4.250 9.685 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.053 3.408 11.243 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.714 5.151 11.131 1.00 0.00 H new ATOM 527 N THR A 33 -4.321 2.486 11.461 1.00 0.00 N ATOM 528 CA THR A 33 -2.917 2.226 11.150 1.00 0.00 C ATOM 529 C THR A 33 -2.706 2.062 9.649 1.00 0.00 C ATOM 530 O THR A 33 -3.637 1.740 8.911 1.00 0.00 O ATOM 531 CB THR A 33 -2.424 0.977 11.886 1.00 0.00 C ATOM 532 OG1 THR A 33 -3.448 -0.001 11.965 1.00 0.00 O ATOM 533 CG2 THR A 33 -1.949 1.262 13.295 1.00 0.00 C ATOM 0 H THR A 33 -4.813 1.700 11.885 1.00 0.00 H new ATOM 0 HA THR A 33 -2.339 3.087 11.486 1.00 0.00 H new ATOM 0 HB THR A 33 -1.579 0.613 11.301 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.111 -0.791 12.437 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.613 0.335 13.760 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.123 1.972 13.264 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.768 1.684 13.877 1.00 0.00 H new ATOM 541 N VAL A 34 -1.471 2.285 9.206 1.00 0.00 N ATOM 542 CA VAL A 34 -1.123 2.164 7.793 1.00 0.00 C ATOM 543 C VAL A 34 -1.443 0.768 7.255 1.00 0.00 C ATOM 544 O VAL A 34 -1.859 0.623 6.103 1.00 0.00 O ATOM 545 CB VAL A 34 0.364 2.487 7.559 1.00 0.00 C ATOM 546 CG1 VAL A 34 1.258 1.419 8.164 1.00 0.00 C ATOM 547 CG2 VAL A 34 0.657 2.669 6.075 1.00 0.00 C ATOM 0 H VAL A 34 -0.692 2.551 9.808 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.729 2.889 7.250 1.00 0.00 H new ATOM 0 HB VAL A 34 0.583 3.429 8.062 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.302 1.674 7.983 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.079 1.360 9.238 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.035 0.455 7.706 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.714 2.896 5.938 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.411 1.752 5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.056 3.490 5.683 1.00 0.00 H new ATOM 557 N GLY A 35 -1.271 -0.254 8.100 1.00 0.00 N ATOM 558 CA GLY A 35 -1.572 -1.615 7.692 1.00 0.00 C ATOM 559 C GLY A 35 -3.005 -1.757 7.208 1.00 0.00 C ATOM 560 O GLY A 35 -3.298 -2.600 6.358 1.00 0.00 O ATOM 0 H GLY A 35 -0.929 -0.159 9.056 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.889 -1.915 6.897 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.403 -2.291 8.530 1.00 0.00 H new ATOM 564 N ASP A 36 -3.891 -0.907 7.736 1.00 0.00 N ATOM 565 CA ASP A 36 -5.296 -0.917 7.341 1.00 0.00 C ATOM 566 C ASP A 36 -5.437 -0.428 5.903 1.00 0.00 C ATOM 567 O ASP A 36 -6.172 -1.015 5.109 1.00 0.00 O ATOM 568 CB ASP A 36 -6.128 -0.036 8.283 1.00 0.00 C ATOM 569 CG ASP A 36 -6.974 -0.848 9.245 1.00 0.00 C ATOM 570 OD1 ASP A 36 -8.014 -1.391 8.814 1.00 0.00 O ATOM 571 OD2 ASP A 36 -6.598 -0.935 10.433 1.00 0.00 O ATOM 0 H ASP A 36 -3.657 -0.205 8.438 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.668 -1.939 7.407 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.461 0.614 8.850 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.776 0.611 7.692 1.00 0.00 H new ATOM 576 N LEU A 37 -4.710 0.641 5.573 1.00 0.00 N ATOM 577 CA LEU A 37 -4.733 1.202 4.225 1.00 0.00 C ATOM 578 C LEU A 37 -4.434 0.117 3.195 1.00 0.00 C ATOM 579 O LEU A 37 -5.193 -0.071 2.241 1.00 0.00 O ATOM 580 CB LEU A 37 -3.712 2.339 4.100 1.00 0.00 C ATOM 581 CG LEU A 37 -4.069 3.428 3.084 1.00 0.00 C ATOM 582 CD1 LEU A 37 -4.456 2.813 1.748 1.00 0.00 C ATOM 583 CD2 LEU A 37 -5.196 4.301 3.614 1.00 0.00 C ATOM 0 H LEU A 37 -4.098 1.135 6.223 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.729 1.603 4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.588 2.804 5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.748 1.911 3.826 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.189 4.053 2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.706 3.605 1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.620 2.231 1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.320 2.162 1.884 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.437 5.070 2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.077 3.686 3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.883 4.774 4.545 1.00 0.00 H new ATOM 595 N ILE A 38 -3.333 -0.607 3.402 1.00 0.00 N ATOM 596 CA ILE A 38 -2.952 -1.686 2.494 1.00 0.00 C ATOM 597 C ILE A 38 -4.051 -2.746 2.445 1.00 0.00 C ATOM 598 O ILE A 38 -4.333 -3.312 1.388 1.00 0.00 O ATOM 599 CB ILE A 38 -1.615 -2.347 2.907 1.00 0.00 C ATOM 600 CG1 ILE A 38 -0.523 -1.285 3.091 1.00 0.00 C ATOM 601 CG2 ILE A 38 -1.188 -3.374 1.863 1.00 0.00 C ATOM 602 CD1 ILE A 38 0.355 -1.513 4.303 1.00 0.00 C ATOM 0 H ILE A 38 -2.695 -0.466 4.185 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.818 -1.245 1.506 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.761 -2.858 3.859 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.104 -1.264 2.199 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.993 -0.305 3.174 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.246 -3.831 2.166 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.954 -4.145 1.776 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.058 -2.881 0.899 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.102 -0.722 4.365 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.259 -1.504 5.204 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.855 -2.478 4.214 1.00 0.00 H new ATOM 614 N ASP A 39 -4.682 -2.992 3.597 1.00 0.00 N ATOM 615 CA ASP A 39 -5.765 -3.965 3.691 1.00 0.00 C ATOM 616 C ASP A 39 -6.957 -3.532 2.841 1.00 0.00 C ATOM 617 O ASP A 39 -7.609 -4.363 2.213 1.00 0.00 O ATOM 618 CB ASP A 39 -6.199 -4.150 5.150 1.00 0.00 C ATOM 619 CG ASP A 39 -5.283 -5.081 5.924 1.00 0.00 C ATOM 620 OD1 ASP A 39 -4.911 -6.142 5.381 1.00 0.00 O ATOM 621 OD2 ASP A 39 -4.939 -4.750 7.078 1.00 0.00 O ATOM 0 H ASP A 39 -4.458 -2.528 4.477 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.396 -4.918 3.312 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.222 -3.178 5.643 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.215 -4.544 5.175 1.00 0.00 H new ATOM 626 N HIS A 40 -7.232 -2.227 2.816 1.00 0.00 N ATOM 627 CA HIS A 40 -8.341 -1.695 2.028 1.00 0.00 C ATOM 628 C HIS A 40 -8.144 -2.000 0.543 1.00 0.00 C ATOM 629 O HIS A 40 -9.097 -2.336 -0.160 1.00 0.00 O ATOM 630 CB HIS A 40 -8.482 -0.186 2.237 1.00 0.00 C ATOM 631 CG HIS A 40 -9.905 0.273 2.346 1.00 0.00 C ATOM 632 ND1 HIS A 40 -10.854 -0.386 3.102 1.00 0.00 N ATOM 633 CD2 HIS A 40 -10.539 1.334 1.793 1.00 0.00 C ATOM 634 CE1 HIS A 40 -12.008 0.249 3.007 1.00 0.00 C ATOM 635 NE2 HIS A 40 -11.845 1.297 2.220 1.00 0.00 N ATOM 0 H HIS A 40 -6.703 -1.523 3.331 1.00 0.00 H new ATOM 0 HA HIS A 40 -9.256 -2.181 2.367 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -7.946 0.099 3.143 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.004 0.334 1.407 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.100 2.072 1.138 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.929 -0.040 3.491 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.570 1.969 1.970 1.00 0.00 H new ATOM 644 N ILE A 41 -6.900 -1.888 0.076 1.00 0.00 N ATOM 645 CA ILE A 41 -6.576 -2.161 -1.324 1.00 0.00 C ATOM 646 C ILE A 41 -6.626 -3.663 -1.623 1.00 0.00 C ATOM 647 O ILE A 41 -6.845 -4.067 -2.764 1.00 0.00 O ATOM 648 CB ILE A 41 -5.180 -1.619 -1.702 1.00 0.00 C ATOM 649 CG1 ILE A 41 -5.027 -0.160 -1.259 1.00 0.00 C ATOM 650 CG2 ILE A 41 -4.951 -1.745 -3.202 1.00 0.00 C ATOM 651 CD1 ILE A 41 -3.587 0.287 -1.118 1.00 0.00 C ATOM 0 H ILE A 41 -6.101 -1.610 0.646 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.329 -1.648 -1.923 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.429 -2.215 -1.183 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.529 0.484 -1.981 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.535 -0.025 -0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.963 -1.359 -3.453 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.016 -2.793 -3.493 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.710 -1.173 -3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.559 1.330 -0.802 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.085 -0.332 -0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.079 0.185 -2.077 1.00 0.00 H new ATOM 663 N VAL A 42 -6.413 -4.483 -0.594 1.00 0.00 N ATOM 664 CA VAL A 42 -6.426 -5.936 -0.751 1.00 0.00 C ATOM 665 C VAL A 42 -7.758 -6.557 -0.299 1.00 0.00 C ATOM 666 O VAL A 42 -7.941 -7.772 -0.387 1.00 0.00 O ATOM 667 CB VAL A 42 -5.271 -6.581 0.042 1.00 0.00 C ATOM 668 CG1 VAL A 42 -5.187 -8.076 -0.237 1.00 0.00 C ATOM 669 CG2 VAL A 42 -3.949 -5.896 -0.281 1.00 0.00 C ATOM 0 H VAL A 42 -6.229 -4.165 0.358 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.300 -6.136 -1.815 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.474 -6.448 1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.365 -8.507 0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.122 -8.554 0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.014 -8.238 -1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.147 -6.366 0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.741 -5.991 -1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.012 -4.841 -0.016 1.00 0.00 H new ATOM 679 N SER A 43 -8.684 -5.728 0.188 1.00 0.00 N ATOM 680 CA SER A 43 -9.984 -6.220 0.648 1.00 0.00 C ATOM 681 C SER A 43 -11.032 -6.143 -0.466 1.00 0.00 C ATOM 682 O SER A 43 -11.355 -7.155 -1.086 1.00 0.00 O ATOM 683 CB SER A 43 -10.451 -5.441 1.885 1.00 0.00 C ATOM 684 OG SER A 43 -10.676 -4.075 1.582 1.00 0.00 O ATOM 0 H SER A 43 -8.559 -4.719 0.274 1.00 0.00 H new ATOM 0 HA SER A 43 -9.866 -7.268 0.924 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.368 -5.885 2.272 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.701 -5.522 2.672 1.00 0.00 H new ATOM 0 HG SER A 43 -9.980 -3.757 0.969 1.00 0.00 H new ATOM 690 N THR A 44 -11.561 -4.944 -0.720 1.00 0.00 N ATOM 691 CA THR A 44 -12.571 -4.755 -1.765 1.00 0.00 C ATOM 692 C THR A 44 -11.914 -4.497 -3.119 1.00 0.00 C ATOM 693 O THR A 44 -12.362 -5.014 -4.143 1.00 0.00 O ATOM 694 CB THR A 44 -13.511 -3.598 -1.410 1.00 0.00 C ATOM 695 OG1 THR A 44 -12.826 -2.594 -0.679 1.00 0.00 O ATOM 696 CG2 THR A 44 -14.707 -4.030 -0.588 1.00 0.00 C ATOM 0 H THR A 44 -11.308 -4.092 -0.219 1.00 0.00 H new ATOM 0 HA THR A 44 -13.155 -5.673 -1.832 1.00 0.00 H new ATOM 0 HB THR A 44 -13.866 -3.213 -2.366 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.445 -1.865 -0.465 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.332 -3.163 -0.371 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.287 -4.764 -1.147 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.365 -4.474 0.347 1.00 0.00 H new ATOM 704 N MET A 45 -10.848 -3.694 -3.115 1.00 0.00 N ATOM 705 CA MET A 45 -10.124 -3.366 -4.342 1.00 0.00 C ATOM 706 C MET A 45 -9.617 -4.631 -5.039 1.00 0.00 C ATOM 707 O MET A 45 -9.936 -4.872 -6.203 1.00 0.00 O ATOM 708 CB MET A 45 -8.952 -2.426 -4.035 1.00 0.00 C ATOM 709 CG MET A 45 -9.069 -1.063 -4.699 1.00 0.00 C ATOM 710 SD MET A 45 -8.465 -1.060 -6.398 1.00 0.00 S ATOM 711 CE MET A 45 -7.049 0.027 -6.254 1.00 0.00 C ATOM 0 H MET A 45 -10.468 -3.259 -2.274 1.00 0.00 H new ATOM 0 HA MET A 45 -10.816 -2.861 -5.016 1.00 0.00 H new ATOM 0 HB2 MET A 45 -8.881 -2.289 -2.956 1.00 0.00 H new ATOM 0 HB3 MET A 45 -8.025 -2.899 -4.358 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.112 -0.747 -4.688 1.00 0.00 H new ATOM 0 HG3 MET A 45 -8.508 -0.331 -4.117 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.358 -0.165 -7.075 1.00 0.00 H new ATOM 0 HE2 MET A 45 -7.381 1.064 -6.295 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.545 -0.156 -5.305 1.00 0.00 H new ATOM 721 N ILE A 46 -8.828 -5.436 -4.322 1.00 0.00 N ATOM 722 CA ILE A 46 -8.283 -6.672 -4.879 1.00 0.00 C ATOM 723 C ILE A 46 -8.813 -7.892 -4.130 1.00 0.00 C ATOM 724 O ILE A 46 -8.649 -8.002 -2.916 1.00 0.00 O ATOM 725 CB ILE A 46 -6.741 -6.682 -4.827 1.00 0.00 C ATOM 726 CG1 ILE A 46 -6.171 -5.406 -5.447 1.00 0.00 C ATOM 727 CG2 ILE A 46 -6.193 -7.907 -5.540 1.00 0.00 C ATOM 728 CD1 ILE A 46 -4.760 -5.098 -4.998 1.00 0.00 C ATOM 0 H ILE A 46 -8.554 -5.252 -3.357 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.604 -6.718 -5.920 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.435 -6.722 -3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.186 -5.500 -6.533 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.817 -4.566 -5.191 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.104 -7.898 -5.494 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.569 -8.808 -5.056 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.512 -7.894 -6.582 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.418 -4.180 -5.476 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.742 -4.972 -3.915 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.101 -5.920 -5.278 1.00 0.00 H new ATOM 740 N ASN A 47 -9.444 -8.810 -4.861 1.00 0.00 N ATOM 741 CA ASN A 47 -9.990 -10.025 -4.260 1.00 0.00 C ATOM 742 C ASN A 47 -9.791 -11.233 -5.179 1.00 0.00 C ATOM 743 O ASN A 47 -10.674 -12.087 -5.297 1.00 0.00 O ATOM 744 CB ASN A 47 -11.481 -9.837 -3.947 1.00 0.00 C ATOM 745 CG ASN A 47 -11.834 -10.202 -2.514 1.00 0.00 C ATOM 746 OD1 ASN A 47 -12.603 -9.503 -1.858 1.00 0.00 O ATOM 747 ND2 ASN A 47 -11.281 -11.307 -2.020 1.00 0.00 N ATOM 0 H ASN A 47 -9.589 -8.735 -5.868 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.452 -10.215 -3.331 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.758 -8.799 -4.131 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.071 -10.450 -4.629 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.491 -11.600 -1.066 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -10.647 -11.861 -2.596 1.00 0.00 H new ATOM 754 N ASN A 48 -8.629 -11.300 -5.831 1.00 0.00 N ATOM 755 CA ASN A 48 -8.323 -12.402 -6.738 1.00 0.00 C ATOM 756 C ASN A 48 -6.938 -12.981 -6.458 1.00 0.00 C ATOM 757 O ASN A 48 -5.953 -12.243 -6.388 1.00 0.00 O ATOM 758 CB ASN A 48 -8.405 -11.930 -8.192 1.00 0.00 C ATOM 759 CG ASN A 48 -8.642 -13.075 -9.157 1.00 0.00 C ATOM 760 OD1 ASN A 48 -9.587 -13.849 -8.999 1.00 0.00 O ATOM 761 ND2 ASN A 48 -7.783 -13.192 -10.163 1.00 0.00 N ATOM 0 H ASN A 48 -7.887 -10.605 -5.747 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.061 -13.186 -6.572 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.211 -11.202 -8.290 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.480 -11.419 -8.458 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.892 -13.945 -10.842 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.014 -12.529 -10.257 1.00 0.00 H new ATOM 768 N PRO A 49 -6.839 -14.319 -6.300 1.00 0.00 N ATOM 769 CA PRO A 49 -5.562 -14.989 -6.032 1.00 0.00 C ATOM 770 C PRO A 49 -4.642 -14.978 -7.251 1.00 0.00 C ATOM 771 O PRO A 49 -4.399 -16.013 -7.877 1.00 0.00 O ATOM 772 CB PRO A 49 -5.975 -16.417 -5.673 1.00 0.00 C ATOM 773 CG PRO A 49 -7.274 -16.620 -6.369 1.00 0.00 C ATOM 774 CD PRO A 49 -7.959 -15.279 -6.375 1.00 0.00 C ATOM 0 HA PRO A 49 -4.994 -14.493 -5.245 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.230 -17.140 -6.005 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.080 -16.540 -4.595 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.119 -16.983 -7.385 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.880 -17.365 -5.853 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.551 -15.135 -7.279 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.637 -15.171 -5.529 1.00 0.00 H new ATOM 782 N ASN A 50 -4.138 -13.794 -7.577 1.00 0.00 N ATOM 783 CA ASN A 50 -3.243 -13.613 -8.714 1.00 0.00 C ATOM 784 C ASN A 50 -2.413 -12.346 -8.542 1.00 0.00 C ATOM 785 O ASN A 50 -1.188 -12.375 -8.657 1.00 0.00 O ATOM 786 CB ASN A 50 -4.038 -13.540 -10.021 1.00 0.00 C ATOM 787 CG ASN A 50 -3.634 -14.623 -11.005 1.00 0.00 C ATOM 788 OD1 ASN A 50 -2.464 -14.741 -11.368 1.00 0.00 O ATOM 789 ND2 ASN A 50 -4.602 -15.421 -11.443 1.00 0.00 N ATOM 0 H ASN A 50 -4.337 -12.935 -7.063 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.573 -14.472 -8.759 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.102 -13.631 -9.802 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.889 -12.562 -10.480 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -4.388 -16.166 -12.106 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.559 -15.288 -11.116 1.00 0.00 H new ATOM 796 N ASP A 51 -3.091 -11.236 -8.255 1.00 0.00 N ATOM 797 CA ASP A 51 -2.424 -9.953 -8.052 1.00 0.00 C ATOM 798 C ASP A 51 -2.022 -9.772 -6.590 1.00 0.00 C ATOM 799 O ASP A 51 -0.966 -9.211 -6.296 1.00 0.00 O ATOM 800 CB ASP A 51 -3.316 -8.779 -8.502 1.00 0.00 C ATOM 801 CG ASP A 51 -4.803 -8.965 -8.221 1.00 0.00 C ATOM 802 OD1 ASP A 51 -5.168 -9.856 -7.428 1.00 0.00 O ATOM 803 OD2 ASP A 51 -5.607 -8.206 -8.796 1.00 0.00 O ATOM 0 H ASP A 51 -4.106 -11.201 -8.158 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.523 -9.955 -8.666 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.977 -7.871 -8.004 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.179 -8.626 -9.572 1.00 0.00 H new ATOM 808 N VAL A 52 -2.865 -10.247 -5.675 1.00 0.00 N ATOM 809 CA VAL A 52 -2.585 -10.130 -4.250 1.00 0.00 C ATOM 810 C VAL A 52 -1.892 -11.384 -3.714 1.00 0.00 C ATOM 811 O VAL A 52 -1.039 -11.296 -2.833 1.00 0.00 O ATOM 812 CB VAL A 52 -3.881 -9.851 -3.455 1.00 0.00 C ATOM 813 CG1 VAL A 52 -3.841 -10.476 -2.069 1.00 0.00 C ATOM 814 CG2 VAL A 52 -4.123 -8.354 -3.359 1.00 0.00 C ATOM 0 H VAL A 52 -3.744 -10.715 -5.896 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.908 -9.286 -4.117 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.708 -10.313 -3.994 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.770 -10.256 -1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.722 -11.556 -2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.002 -10.065 -1.508 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.038 -8.169 -2.797 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.283 -7.882 -2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.222 -7.936 -4.361 1.00 0.00 H new ATOM 824 N SER A 53 -2.260 -12.549 -4.252 1.00 0.00 N ATOM 825 CA SER A 53 -1.664 -13.816 -3.825 1.00 0.00 C ATOM 826 C SER A 53 -0.140 -13.794 -3.968 1.00 0.00 C ATOM 827 O SER A 53 0.570 -14.425 -3.184 1.00 0.00 O ATOM 828 CB SER A 53 -2.245 -14.979 -4.632 1.00 0.00 C ATOM 829 OG SER A 53 -3.396 -15.513 -4.001 1.00 0.00 O ATOM 0 H SER A 53 -2.966 -12.641 -4.982 1.00 0.00 H new ATOM 0 HA SER A 53 -1.905 -13.954 -2.771 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.502 -14.637 -5.635 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.493 -15.760 -4.744 1.00 0.00 H new ATOM 0 HG SER A 53 -3.562 -16.419 -4.336 1.00 0.00 H new ATOM 835 N ILE A 54 0.360 -13.065 -4.967 1.00 0.00 N ATOM 836 CA ILE A 54 1.801 -12.968 -5.194 1.00 0.00 C ATOM 837 C ILE A 54 2.395 -11.763 -4.461 1.00 0.00 C ATOM 838 O ILE A 54 3.543 -11.803 -4.019 1.00 0.00 O ATOM 839 CB ILE A 54 2.135 -12.872 -6.699 1.00 0.00 C ATOM 840 CG1 ILE A 54 1.398 -13.964 -7.482 1.00 0.00 C ATOM 841 CG2 ILE A 54 3.638 -12.984 -6.917 1.00 0.00 C ATOM 842 CD1 ILE A 54 1.574 -13.863 -8.983 1.00 0.00 C ATOM 0 H ILE A 54 -0.209 -12.536 -5.628 1.00 0.00 H new ATOM 0 HA ILE A 54 2.245 -13.881 -4.798 1.00 0.00 H new ATOM 0 HB ILE A 54 1.803 -11.901 -7.066 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.752 -14.939 -7.149 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.335 -13.913 -7.246 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.857 -12.915 -7.982 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.143 -12.175 -6.389 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.991 -13.942 -6.536 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.024 -14.669 -9.469 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.193 -12.903 -9.330 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.632 -13.945 -9.232 1.00 0.00 H new ATOM 854 N PHE A 55 1.605 -10.697 -4.329 1.00 0.00 N ATOM 855 CA PHE A 55 2.049 -9.486 -3.641 1.00 0.00 C ATOM 856 C PHE A 55 2.104 -9.704 -2.126 1.00 0.00 C ATOM 857 O PHE A 55 2.996 -9.189 -1.450 1.00 0.00 O ATOM 858 CB PHE A 55 1.111 -8.319 -3.974 1.00 0.00 C ATOM 859 CG PHE A 55 1.589 -6.979 -3.481 1.00 0.00 C ATOM 860 CD1 PHE A 55 2.687 -6.361 -4.059 1.00 0.00 C ATOM 861 CD2 PHE A 55 0.932 -6.333 -2.444 1.00 0.00 C ATOM 862 CE1 PHE A 55 3.122 -5.128 -3.611 1.00 0.00 C ATOM 863 CE2 PHE A 55 1.363 -5.099 -1.993 1.00 0.00 C ATOM 864 CZ PHE A 55 2.459 -4.496 -2.578 1.00 0.00 C ATOM 0 H PHE A 55 0.652 -10.648 -4.691 1.00 0.00 H new ATOM 0 HA PHE A 55 3.055 -9.246 -3.986 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.981 -8.270 -5.055 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.130 -8.522 -3.544 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.209 -6.849 -4.869 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.074 -6.799 -1.983 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.980 -4.659 -4.069 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.843 -4.607 -1.184 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.797 -3.532 -2.228 1.00 0.00 H new ATOM 874 N ILE A 56 1.140 -10.463 -1.598 1.00 0.00 N ATOM 875 CA ILE A 56 1.074 -10.743 -0.164 1.00 0.00 C ATOM 876 C ILE A 56 0.966 -12.247 0.110 1.00 0.00 C ATOM 877 O ILE A 56 0.413 -12.998 -0.695 1.00 0.00 O ATOM 878 CB ILE A 56 -0.125 -10.022 0.496 1.00 0.00 C ATOM 879 CG1 ILE A 56 -0.168 -8.550 0.072 1.00 0.00 C ATOM 880 CG2 ILE A 56 -0.049 -10.137 2.014 1.00 0.00 C ATOM 881 CD1 ILE A 56 -1.352 -7.790 0.630 1.00 0.00 C ATOM 0 H ILE A 56 0.394 -10.894 -2.144 1.00 0.00 H new ATOM 0 HA ILE A 56 2.001 -10.368 0.270 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.043 -10.504 0.159 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.751 -8.061 0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.193 -8.495 -1.016 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.901 -9.624 2.461 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.068 -11.188 2.301 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.876 -9.681 2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.315 -6.756 0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.277 -8.253 0.286 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.318 -7.813 1.719 1.00 0.00 H new ATOM 893 N GLU A 57 1.496 -12.672 1.260 1.00 0.00 N ATOM 894 CA GLU A 57 1.463 -14.079 1.666 1.00 0.00 C ATOM 895 C GLU A 57 0.404 -14.305 2.752 1.00 0.00 C ATOM 896 O GLU A 57 -0.471 -13.460 2.956 1.00 0.00 O ATOM 897 CB GLU A 57 2.845 -14.511 2.173 1.00 0.00 C ATOM 898 CG GLU A 57 3.275 -15.887 1.684 1.00 0.00 C ATOM 899 CD GLU A 57 4.443 -15.826 0.718 1.00 0.00 C ATOM 900 OE1 GLU A 57 5.586 -15.626 1.180 1.00 0.00 O ATOM 901 OE2 GLU A 57 4.216 -15.981 -0.502 1.00 0.00 O ATOM 0 H GLU A 57 1.956 -12.056 1.931 1.00 0.00 H new ATOM 0 HA GLU A 57 1.198 -14.684 0.799 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.584 -13.775 1.856 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.839 -14.508 3.263 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.549 -16.503 2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.431 -16.375 1.197 1.00 0.00 H new ATOM 908 N ASP A 58 0.484 -15.448 3.446 1.00 0.00 N ATOM 909 CA ASP A 58 -0.472 -15.771 4.505 1.00 0.00 C ATOM 910 C ASP A 58 -0.369 -14.767 5.651 1.00 0.00 C ATOM 911 O ASP A 58 0.436 -14.937 6.570 1.00 0.00 O ATOM 912 CB ASP A 58 -0.244 -17.194 5.031 1.00 0.00 C ATOM 913 CG ASP A 58 -1.046 -18.235 4.271 1.00 0.00 C ATOM 914 OD1 ASP A 58 -2.281 -18.075 4.163 1.00 0.00 O ATOM 915 OD2 ASP A 58 -0.438 -19.212 3.785 1.00 0.00 O ATOM 0 H ASP A 58 1.199 -16.159 3.292 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.474 -15.714 4.079 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.816 -17.437 4.962 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.512 -17.234 6.087 1.00 0.00 H new ATOM 920 N ASP A 59 -1.189 -13.716 5.582 1.00 0.00 N ATOM 921 CA ASP A 59 -1.207 -12.666 6.601 1.00 0.00 C ATOM 922 C ASP A 59 0.180 -12.034 6.781 1.00 0.00 C ATOM 923 O ASP A 59 0.550 -11.630 7.885 1.00 0.00 O ATOM 924 CB ASP A 59 -1.716 -13.231 7.933 1.00 0.00 C ATOM 925 CG ASP A 59 -3.199 -12.986 8.138 1.00 0.00 C ATOM 926 OD1 ASP A 59 -3.990 -13.318 7.228 1.00 0.00 O ATOM 927 OD2 ASP A 59 -3.572 -12.462 9.208 1.00 0.00 O ATOM 0 H ASP A 59 -1.855 -13.570 4.823 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.886 -11.882 6.265 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.520 -14.303 7.968 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.159 -12.778 8.753 1.00 0.00 H new ATOM 932 N SER A 60 0.940 -11.946 5.687 1.00 0.00 N ATOM 933 CA SER A 60 2.279 -11.360 5.725 1.00 0.00 C ATOM 934 C SER A 60 2.784 -11.066 4.315 1.00 0.00 C ATOM 935 O SER A 60 2.862 -11.964 3.477 1.00 0.00 O ATOM 936 CB SER A 60 3.254 -12.298 6.448 1.00 0.00 C ATOM 937 OG SER A 60 3.263 -13.588 5.857 1.00 0.00 O ATOM 0 H SER A 60 0.650 -12.273 4.765 1.00 0.00 H new ATOM 0 HA SER A 60 2.221 -10.420 6.274 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.258 -11.875 6.418 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.973 -12.379 7.498 1.00 0.00 H new ATOM 0 HG SER A 60 2.416 -14.042 6.050 1.00 0.00 H new ATOM 943 N ILE A 61 3.125 -9.803 4.057 1.00 0.00 N ATOM 944 CA ILE A 61 3.621 -9.395 2.742 1.00 0.00 C ATOM 945 C ILE A 61 4.960 -10.060 2.426 1.00 0.00 C ATOM 946 O ILE A 61 5.734 -10.385 3.330 1.00 0.00 O ATOM 947 CB ILE A 61 3.777 -7.861 2.638 1.00 0.00 C ATOM 948 CG1 ILE A 61 2.476 -7.159 3.038 1.00 0.00 C ATOM 949 CG2 ILE A 61 4.177 -7.460 1.225 1.00 0.00 C ATOM 950 CD1 ILE A 61 2.624 -6.233 4.226 1.00 0.00 C ATOM 0 H ILE A 61 3.067 -9.047 4.739 1.00 0.00 H new ATOM 0 HA ILE A 61 2.877 -9.720 2.014 1.00 0.00 H new ATOM 0 HB ILE A 61 4.565 -7.551 3.325 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.106 -6.587 2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.723 -7.913 3.268 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.282 -6.376 1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.126 -7.930 0.968 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.409 -7.786 0.523 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.662 -5.772 4.450 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.964 -6.802 5.091 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.353 -5.457 3.994 1.00 0.00 H new ATOM 962 N ARG A 62 5.226 -10.261 1.136 1.00 0.00 N ATOM 963 CA ARG A 62 6.471 -10.889 0.697 1.00 0.00 C ATOM 964 C ARG A 62 7.651 -9.925 0.825 1.00 0.00 C ATOM 965 O ARG A 62 7.516 -8.726 0.571 1.00 0.00 O ATOM 966 CB ARG A 62 6.348 -11.367 -0.753 1.00 0.00 C ATOM 967 CG ARG A 62 5.854 -12.799 -0.886 1.00 0.00 C ATOM 968 CD ARG A 62 5.751 -13.220 -2.343 1.00 0.00 C ATOM 969 NE ARG A 62 6.090 -14.630 -2.534 1.00 0.00 N ATOM 970 CZ ARG A 62 6.157 -15.226 -3.726 1.00 0.00 C ATOM 971 NH1 ARG A 62 5.891 -14.544 -4.837 1.00 0.00 N ATOM 972 NH2 ARG A 62 6.483 -16.510 -3.809 1.00 0.00 N ATOM 0 H ARG A 62 4.597 -9.998 0.377 1.00 0.00 H new ATOM 0 HA ARG A 62 6.655 -11.748 1.343 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.666 -10.706 -1.287 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.320 -11.281 -1.238 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.533 -13.470 -0.360 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.879 -12.894 -0.409 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.737 -13.040 -2.701 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.417 -12.603 -2.946 1.00 0.00 H new ATOM 0 HE ARG A 62 6.287 -15.192 -1.706 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.634 -13.559 -4.781 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.944 -15.007 -5.744 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.682 -17.041 -2.961 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.534 -16.965 -4.720 1.00 0.00 H new ATOM 986 N PRO A 63 8.832 -10.441 1.222 1.00 0.00 N ATOM 987 CA PRO A 63 10.041 -9.624 1.380 1.00 0.00 C ATOM 988 C PRO A 63 10.637 -9.208 0.035 1.00 0.00 C ATOM 989 O PRO A 63 11.373 -9.972 -0.593 1.00 0.00 O ATOM 990 CB PRO A 63 10.998 -10.550 2.133 1.00 0.00 C ATOM 991 CG PRO A 63 10.568 -11.927 1.760 1.00 0.00 C ATOM 992 CD PRO A 63 9.079 -11.862 1.544 1.00 0.00 C ATOM 0 HA PRO A 63 9.839 -8.688 1.901 1.00 0.00 H new ATOM 0 HB2 PRO A 63 12.033 -10.367 1.845 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.934 -10.394 3.210 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.078 -12.262 0.856 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.816 -12.638 2.548 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.763 -12.517 0.732 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.532 -12.172 2.434 1.00 0.00 H new ATOM 1000 N GLY A 64 10.309 -7.993 -0.401 1.00 0.00 N ATOM 1001 CA GLY A 64 10.815 -7.494 -1.671 1.00 0.00 C ATOM 1002 C GLY A 64 10.286 -6.111 -2.012 1.00 0.00 C ATOM 1003 O GLY A 64 11.022 -5.274 -2.538 1.00 0.00 O ATOM 0 H GLY A 64 9.702 -7.345 0.102 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.904 -7.463 -1.636 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.541 -8.189 -2.465 1.00 0.00 H new ATOM 1007 N ILE A 65 9.008 -5.872 -1.714 1.00 0.00 N ATOM 1008 CA ILE A 65 8.380 -4.582 -1.991 1.00 0.00 C ATOM 1009 C ILE A 65 9.005 -3.476 -1.148 1.00 0.00 C ATOM 1010 O ILE A 65 9.189 -3.630 0.061 1.00 0.00 O ATOM 1011 CB ILE A 65 6.858 -4.612 -1.724 1.00 0.00 C ATOM 1012 CG1 ILE A 65 6.209 -5.828 -2.395 1.00 0.00 C ATOM 1013 CG2 ILE A 65 6.207 -3.322 -2.208 1.00 0.00 C ATOM 1014 CD1 ILE A 65 6.456 -5.910 -3.888 1.00 0.00 C ATOM 0 H ILE A 65 8.388 -6.556 -1.280 1.00 0.00 H new ATOM 0 HA ILE A 65 8.548 -4.378 -3.048 1.00 0.00 H new ATOM 0 HB ILE A 65 6.702 -4.696 -0.648 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.587 -6.735 -1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.134 -5.799 -2.215 1.00 0.00 H new ATOM 0 HG21 ILE A 65 5.135 -3.360 -2.012 1.00 0.00 H new ATOM 0 HG22 ILE A 65 6.643 -2.474 -1.680 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.377 -3.208 -3.279 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.965 -6.797 -4.290 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.053 -5.021 -4.373 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.528 -5.972 -4.077 1.00 0.00 H new ATOM 1026 N ILE A 66 9.326 -2.363 -1.798 1.00 0.00 N ATOM 1027 CA ILE A 66 9.930 -1.224 -1.122 1.00 0.00 C ATOM 1028 C ILE A 66 8.933 -0.072 -1.002 1.00 0.00 C ATOM 1029 O ILE A 66 8.797 0.746 -1.915 1.00 0.00 O ATOM 1030 CB ILE A 66 11.192 -0.743 -1.869 1.00 0.00 C ATOM 1031 CG1 ILE A 66 12.231 -1.867 -1.936 1.00 0.00 C ATOM 1032 CG2 ILE A 66 11.781 0.490 -1.195 1.00 0.00 C ATOM 1033 CD1 ILE A 66 13.319 -1.624 -2.958 1.00 0.00 C ATOM 0 H ILE A 66 9.176 -2.226 -2.798 1.00 0.00 H new ATOM 0 HA ILE A 66 10.217 -1.549 -0.122 1.00 0.00 H new ATOM 0 HB ILE A 66 10.908 -0.471 -2.885 1.00 0.00 H new ATOM 0 HG12 ILE A 66 12.687 -1.988 -0.953 1.00 0.00 H new ATOM 0 HG13 ILE A 66 11.726 -2.804 -2.171 1.00 0.00 H new ATOM 0 HG21 ILE A 66 12.670 0.812 -1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.044 1.293 -1.197 1.00 0.00 H new ATOM 0 HG23 ILE A 66 12.052 0.248 -0.167 1.00 0.00 H new ATOM 0 HD11 ILE A 66 14.019 -2.460 -2.950 1.00 0.00 H new ATOM 0 HD12 ILE A 66 12.874 -1.533 -3.949 1.00 0.00 H new ATOM 0 HD13 ILE A 66 13.850 -0.704 -2.713 1.00 0.00 H new ATOM 1045 N THR A 67 8.234 -0.021 0.130 1.00 0.00 N ATOM 1046 CA THR A 67 7.244 1.023 0.375 1.00 0.00 C ATOM 1047 C THR A 67 7.860 2.201 1.134 1.00 0.00 C ATOM 1048 O THR A 67 8.653 2.010 2.057 1.00 0.00 O ATOM 1049 CB THR A 67 6.044 0.454 1.145 1.00 0.00 C ATOM 1050 OG1 THR A 67 5.151 1.487 1.523 1.00 0.00 O ATOM 1051 CG2 THR A 67 6.429 -0.303 2.398 1.00 0.00 C ATOM 0 H THR A 67 8.336 -0.691 0.892 1.00 0.00 H new ATOM 0 HA THR A 67 6.896 1.391 -0.590 1.00 0.00 H new ATOM 0 HB THR A 67 5.571 -0.244 0.454 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.980 2.069 0.754 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.530 -0.675 2.889 1.00 0.00 H new ATOM 0 HG22 THR A 67 7.072 -1.142 2.133 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.963 0.363 3.076 1.00 0.00 H new ATOM 1059 N LEU A 68 7.494 3.420 0.728 1.00 0.00 N ATOM 1060 CA LEU A 68 8.015 4.632 1.356 1.00 0.00 C ATOM 1061 C LEU A 68 6.886 5.541 1.845 1.00 0.00 C ATOM 1062 O LEU A 68 6.035 5.961 1.060 1.00 0.00 O ATOM 1063 CB LEU A 68 8.902 5.393 0.363 1.00 0.00 C ATOM 1064 CG LEU A 68 10.126 4.623 -0.145 1.00 0.00 C ATOM 1065 CD1 LEU A 68 10.948 5.490 -1.088 1.00 0.00 C ATOM 1066 CD2 LEU A 68 10.979 4.144 1.022 1.00 0.00 C ATOM 0 H LEU A 68 6.838 3.591 -0.034 1.00 0.00 H new ATOM 0 HA LEU A 68 8.605 4.334 2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.294 5.683 -0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.243 6.313 0.837 1.00 0.00 H new ATOM 0 HG LEU A 68 9.778 3.750 -0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.813 4.927 -1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.335 5.782 -1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.285 6.382 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 68 11.843 3.599 0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.318 5.003 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.388 3.486 1.659 1.00 0.00 H new ATOM 1078 N ILE A 69 6.890 5.844 3.145 1.00 0.00 N ATOM 1079 CA ILE A 69 5.867 6.708 3.741 1.00 0.00 C ATOM 1080 C ILE A 69 6.314 8.173 3.747 1.00 0.00 C ATOM 1081 O ILE A 69 7.109 8.585 4.595 1.00 0.00 O ATOM 1082 CB ILE A 69 5.531 6.282 5.188 1.00 0.00 C ATOM 1083 CG1 ILE A 69 5.389 4.760 5.286 1.00 0.00 C ATOM 1084 CG2 ILE A 69 4.257 6.967 5.664 1.00 0.00 C ATOM 1085 CD1 ILE A 69 5.071 4.265 6.682 1.00 0.00 C ATOM 0 H ILE A 69 7.589 5.504 3.805 1.00 0.00 H new ATOM 0 HA ILE A 69 4.974 6.602 3.124 1.00 0.00 H new ATOM 0 HB ILE A 69 6.353 6.591 5.834 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.602 4.433 4.606 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.315 4.295 4.948 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.036 6.655 6.685 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.393 8.048 5.636 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.429 6.689 5.012 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.986 3.178 6.672 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.869 4.560 7.363 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.129 4.700 7.017 1.00 0.00 H new ATOM 1097 N ASN A 70 5.790 8.952 2.797 1.00 0.00 N ATOM 1098 CA ASN A 70 6.115 10.379 2.676 1.00 0.00 C ATOM 1099 C ASN A 70 7.608 10.591 2.441 1.00 0.00 C ATOM 1100 O ASN A 70 8.283 11.251 3.233 1.00 0.00 O ATOM 1101 CB ASN A 70 5.670 11.149 3.926 1.00 0.00 C ATOM 1102 CG ASN A 70 4.197 10.967 4.238 1.00 0.00 C ATOM 1103 OD1 ASN A 70 3.333 11.336 3.445 1.00 0.00 O ATOM 1104 ND2 ASN A 70 3.903 10.398 5.403 1.00 0.00 N ATOM 0 H ASN A 70 5.132 8.616 2.093 1.00 0.00 H new ATOM 0 HA ASN A 70 5.572 10.763 1.812 1.00 0.00 H new ATOM 0 HB2 ASN A 70 6.261 10.818 4.780 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.878 12.210 3.786 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.929 10.253 5.668 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.652 10.107 6.032 1.00 0.00 H new ATOM 1111 N ASP A 71 8.119 10.028 1.345 1.00 0.00 N ATOM 1112 CA ASP A 71 9.535 10.151 0.998 1.00 0.00 C ATOM 1113 C ASP A 71 10.438 9.603 2.110 1.00 0.00 C ATOM 1114 O ASP A 71 11.602 9.993 2.227 1.00 0.00 O ATOM 1115 CB ASP A 71 9.879 11.618 0.707 1.00 0.00 C ATOM 1116 CG ASP A 71 9.717 11.977 -0.760 1.00 0.00 C ATOM 1117 OD1 ASP A 71 10.034 11.130 -1.623 1.00 0.00 O ATOM 1118 OD2 ASP A 71 9.271 13.107 -1.046 1.00 0.00 O ATOM 0 H ASP A 71 7.571 9.481 0.681 1.00 0.00 H new ATOM 0 HA ASP A 71 9.714 9.555 0.103 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.238 12.263 1.308 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.906 11.814 1.014 1.00 0.00 H new ATOM 1123 N THR A 72 9.895 8.690 2.917 1.00 0.00 N ATOM 1124 CA THR A 72 10.643 8.083 4.011 1.00 0.00 C ATOM 1125 C THR A 72 10.527 6.563 3.948 1.00 0.00 C ATOM 1126 O THR A 72 9.848 6.024 3.076 1.00 0.00 O ATOM 1127 CB THR A 72 10.129 8.597 5.365 1.00 0.00 C ATOM 1128 OG1 THR A 72 9.539 9.878 5.239 1.00 0.00 O ATOM 1129 CG2 THR A 72 11.209 8.701 6.415 1.00 0.00 C ATOM 0 H THR A 72 8.935 8.356 2.830 1.00 0.00 H new ATOM 0 HA THR A 72 11.692 8.362 3.910 1.00 0.00 H new ATOM 0 HB THR A 72 9.395 7.856 5.683 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.641 9.788 4.857 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.777 9.070 7.346 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.649 7.718 6.583 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.982 9.390 6.075 1.00 0.00 H new ATOM 1137 N ASP A 73 11.184 5.874 4.878 1.00 0.00 N ATOM 1138 CA ASP A 73 11.140 4.416 4.917 1.00 0.00 C ATOM 1139 C ASP A 73 9.849 3.924 5.571 1.00 0.00 C ATOM 1140 O ASP A 73 8.980 4.720 5.934 1.00 0.00 O ATOM 1141 CB ASP A 73 12.355 3.866 5.671 1.00 0.00 C ATOM 1142 CG ASP A 73 13.210 2.959 4.807 1.00 0.00 C ATOM 1143 OD1 ASP A 73 13.745 3.442 3.786 1.00 0.00 O ATOM 1144 OD2 ASP A 73 13.343 1.766 5.150 1.00 0.00 O ATOM 0 H ASP A 73 11.751 6.300 5.611 1.00 0.00 H new ATOM 0 HA ASP A 73 11.165 4.050 3.891 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.961 4.697 6.032 1.00 0.00 H new ATOM 0 HB3 ASP A 73 12.016 3.314 6.548 1.00 0.00 H new ATOM 1149 N TRP A 74 9.729 2.606 5.715 1.00 0.00 N ATOM 1150 CA TRP A 74 8.548 2.003 6.326 1.00 0.00 C ATOM 1151 C TRP A 74 8.850 1.531 7.749 1.00 0.00 C ATOM 1152 O TRP A 74 8.021 1.679 8.646 1.00 0.00 O ATOM 1153 CB TRP A 74 8.056 0.827 5.477 1.00 0.00 C ATOM 1154 CG TRP A 74 6.562 0.725 5.391 1.00 0.00 C ATOM 1155 CD1 TRP A 74 5.714 1.613 4.794 1.00 0.00 C ATOM 1156 CD2 TRP A 74 5.739 -0.329 5.908 1.00 0.00 C ATOM 1157 NE1 TRP A 74 4.417 1.179 4.910 1.00 0.00 N ATOM 1158 CE2 TRP A 74 4.404 -0.009 5.592 1.00 0.00 C ATOM 1159 CE3 TRP A 74 5.998 -1.510 6.611 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 3.337 -0.829 5.949 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 4.937 -2.323 6.965 1.00 0.00 C ATOM 1162 CH2 TRP A 74 3.620 -1.977 6.636 1.00 0.00 C ATOM 0 H TRP A 74 10.437 1.935 5.416 1.00 0.00 H new ATOM 0 HA TRP A 74 7.766 2.761 6.374 1.00 0.00 H new ATOM 0 HB2 TRP A 74 8.463 0.923 4.470 1.00 0.00 H new ATOM 0 HB3 TRP A 74 8.451 -0.100 5.893 1.00 0.00 H new ATOM 0 HD1 TRP A 74 6.019 2.525 4.302 1.00 0.00 H new ATOM 0 HE1 TRP A 74 3.596 1.663 4.547 1.00 0.00 H new ATOM 0 HE3 TRP A 74 7.010 -1.782 6.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 2.321 -0.568 5.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 5.127 -3.240 7.504 1.00 0.00 H new ATOM 0 HH2 TRP A 74 2.812 -2.630 6.931 1.00 0.00 H new ATOM 1173 N GLU A 75 10.042 0.961 7.944 1.00 0.00 N ATOM 1174 CA GLU A 75 10.458 0.461 9.259 1.00 0.00 C ATOM 1175 C GLU A 75 11.220 1.521 10.062 1.00 0.00 C ATOM 1176 O GLU A 75 11.253 1.463 11.291 1.00 0.00 O ATOM 1177 CB GLU A 75 11.323 -0.798 9.111 1.00 0.00 C ATOM 1178 CG GLU A 75 12.435 -0.677 8.072 1.00 0.00 C ATOM 1179 CD GLU A 75 13.415 -1.839 8.110 1.00 0.00 C ATOM 1180 OE1 GLU A 75 12.991 -2.971 8.429 1.00 0.00 O ATOM 1181 OE2 GLU A 75 14.609 -1.617 7.817 1.00 0.00 O ATOM 0 H GLU A 75 10.737 0.834 7.208 1.00 0.00 H new ATOM 0 HA GLU A 75 9.549 0.213 9.807 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.769 -1.034 10.077 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.681 -1.637 8.843 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.991 -0.616 7.078 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.978 0.254 8.236 1.00 0.00 H new ATOM 1188 N LEU A 76 11.833 2.480 9.366 1.00 0.00 N ATOM 1189 CA LEU A 76 12.598 3.547 10.022 1.00 0.00 C ATOM 1190 C LEU A 76 11.762 4.288 11.073 1.00 0.00 C ATOM 1191 O LEU A 76 12.306 4.797 12.055 1.00 0.00 O ATOM 1192 CB LEU A 76 13.118 4.544 8.982 1.00 0.00 C ATOM 1193 CG LEU A 76 14.561 5.011 9.186 1.00 0.00 C ATOM 1194 CD1 LEU A 76 15.052 5.766 7.960 1.00 0.00 C ATOM 1195 CD2 LEU A 76 14.674 5.881 10.433 1.00 0.00 C ATOM 0 H LEU A 76 11.816 2.541 8.348 1.00 0.00 H new ATOM 0 HA LEU A 76 13.439 3.076 10.532 1.00 0.00 H new ATOM 0 HB2 LEU A 76 13.037 4.089 7.995 1.00 0.00 H new ATOM 0 HB3 LEU A 76 12.467 5.418 8.984 1.00 0.00 H new ATOM 0 HG LEU A 76 15.191 4.132 9.326 1.00 0.00 H new ATOM 0 HD11 LEU A 76 16.080 6.092 8.121 1.00 0.00 H new ATOM 0 HD12 LEU A 76 15.010 5.112 7.089 1.00 0.00 H new ATOM 0 HD13 LEU A 76 14.418 6.636 7.791 1.00 0.00 H new ATOM 0 HD21 LEU A 76 15.708 6.202 10.560 1.00 0.00 H new ATOM 0 HD22 LEU A 76 14.033 6.756 10.326 1.00 0.00 H new ATOM 0 HD23 LEU A 76 14.363 5.308 11.306 1.00 0.00 H new ATOM 1207 N GLU A 77 10.445 4.354 10.862 1.00 0.00 N ATOM 1208 CA GLU A 77 9.554 5.040 11.795 1.00 0.00 C ATOM 1209 C GLU A 77 8.519 4.079 12.377 1.00 0.00 C ATOM 1210 O GLU A 77 8.564 3.754 13.564 1.00 0.00 O ATOM 1211 CB GLU A 77 8.856 6.212 11.097 1.00 0.00 C ATOM 1212 CG GLU A 77 8.940 7.519 11.869 1.00 0.00 C ATOM 1213 CD GLU A 77 7.715 7.776 12.728 1.00 0.00 C ATOM 1214 OE1 GLU A 77 6.587 7.699 12.196 1.00 0.00 O ATOM 1215 OE2 GLU A 77 7.885 8.056 13.933 1.00 0.00 O ATOM 0 H GLU A 77 9.975 3.942 10.056 1.00 0.00 H new ATOM 0 HA GLU A 77 10.157 5.425 12.617 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.300 6.353 10.111 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.807 5.959 10.941 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.826 7.504 12.504 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.065 8.343 11.166 1.00 0.00 H new ATOM 1222 N GLY A 78 7.588 3.632 11.535 1.00 0.00 N ATOM 1223 CA GLY A 78 6.554 2.717 11.982 1.00 0.00 C ATOM 1224 C GLY A 78 5.985 1.889 10.848 1.00 0.00 C ATOM 1225 O GLY A 78 5.241 2.405 10.012 1.00 0.00 O ATOM 0 H GLY A 78 7.533 3.889 10.549 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.965 2.053 12.743 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.751 3.283 12.453 1.00 0.00 H new ATOM 1229 N GLU A 79 6.342 0.604 10.815 1.00 0.00 N ATOM 1230 CA GLU A 79 5.865 -0.303 9.770 1.00 0.00 C ATOM 1231 C GLU A 79 4.339 -0.288 9.684 1.00 0.00 C ATOM 1232 O GLU A 79 3.773 0.240 8.729 1.00 0.00 O ATOM 1233 CB GLU A 79 6.365 -1.728 10.030 1.00 0.00 C ATOM 1234 CG GLU A 79 7.852 -1.909 9.772 1.00 0.00 C ATOM 1235 CD GLU A 79 8.274 -3.365 9.787 1.00 0.00 C ATOM 1236 OE1 GLU A 79 8.214 -3.991 10.866 1.00 0.00 O ATOM 1237 OE2 GLU A 79 8.663 -3.880 8.718 1.00 0.00 O ATOM 0 H GLU A 79 6.960 0.168 11.500 1.00 0.00 H new ATOM 0 HA GLU A 79 6.264 0.043 8.817 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.149 -1.997 11.064 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.808 -2.420 9.398 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.105 -1.471 8.806 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.417 -1.363 10.528 1.00 0.00 H new ATOM 1244 N LYS A 80 3.680 -0.862 10.690 1.00 0.00 N ATOM 1245 CA LYS A 80 2.218 -0.905 10.729 1.00 0.00 C ATOM 1246 C LYS A 80 1.671 0.051 11.790 1.00 0.00 C ATOM 1247 O LYS A 80 0.627 0.673 11.590 1.00 0.00 O ATOM 1248 CB LYS A 80 1.731 -2.332 11.005 1.00 0.00 C ATOM 1249 CG LYS A 80 0.214 -2.459 11.065 1.00 0.00 C ATOM 1250 CD LYS A 80 -0.230 -3.914 11.131 1.00 0.00 C ATOM 1251 CE LYS A 80 -0.412 -4.510 9.741 1.00 0.00 C ATOM 1252 NZ LYS A 80 -1.820 -4.938 9.490 1.00 0.00 N ATOM 0 H LYS A 80 4.135 -1.304 11.489 1.00 0.00 H new ATOM 0 HA LYS A 80 1.846 -0.587 9.755 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.112 -2.994 10.227 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.153 -2.675 11.950 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.161 -1.925 11.938 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.225 -1.984 10.188 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.509 -4.495 11.683 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.167 -3.984 11.683 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.118 -3.775 8.991 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.252 -5.366 9.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.896 -5.337 8.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.093 -5.659 10.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.453 -4.117 9.574 1.00 0.00 H new ATOM 1266 N ASP A 81 2.383 0.160 12.917 1.00 0.00 N ATOM 1267 CA ASP A 81 1.976 1.039 14.017 1.00 0.00 C ATOM 1268 C ASP A 81 1.711 2.469 13.534 1.00 0.00 C ATOM 1269 O ASP A 81 0.892 3.181 14.118 1.00 0.00 O ATOM 1270 CB ASP A 81 3.047 1.048 15.113 1.00 0.00 C ATOM 1271 CG ASP A 81 2.896 -0.112 16.077 1.00 0.00 C ATOM 1272 OD1 ASP A 81 2.127 0.021 17.051 1.00 0.00 O ATOM 1273 OD2 ASP A 81 3.548 -1.155 15.856 1.00 0.00 O ATOM 0 H ASP A 81 3.248 -0.352 13.091 1.00 0.00 H new ATOM 0 HA ASP A 81 1.044 0.646 14.423 1.00 0.00 H new ATOM 0 HB2 ASP A 81 4.034 1.009 14.653 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.990 1.986 15.665 1.00 0.00 H new ATOM 1278 N TYR A 82 2.403 2.883 12.468 1.00 0.00 N ATOM 1279 CA TYR A 82 2.234 4.224 11.908 1.00 0.00 C ATOM 1280 C TYR A 82 0.753 4.543 11.696 1.00 0.00 C ATOM 1281 O TYR A 82 0.054 3.833 10.968 1.00 0.00 O ATOM 1282 CB TYR A 82 2.994 4.342 10.582 1.00 0.00 C ATOM 1283 CG TYR A 82 2.845 5.685 9.896 1.00 0.00 C ATOM 1284 CD1 TYR A 82 1.761 5.948 9.066 1.00 0.00 C ATOM 1285 CD2 TYR A 82 3.790 6.689 10.077 1.00 0.00 C ATOM 1286 CE1 TYR A 82 1.623 7.170 8.436 1.00 0.00 C ATOM 1287 CE2 TYR A 82 3.658 7.914 9.450 1.00 0.00 C ATOM 1288 CZ TYR A 82 2.573 8.150 8.631 1.00 0.00 C ATOM 1289 OH TYR A 82 2.441 9.369 8.003 1.00 0.00 O ATOM 0 H TYR A 82 3.086 2.307 11.976 1.00 0.00 H new ATOM 0 HA TYR A 82 2.642 4.945 12.617 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.052 4.156 10.765 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.646 3.561 9.906 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.014 5.184 8.911 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.641 6.509 10.718 1.00 0.00 H new ATOM 0 HE1 TYR A 82 0.775 7.357 7.794 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.401 8.683 9.601 1.00 0.00 H new ATOM 0 HH TYR A 82 3.194 9.946 8.247 1.00 0.00 H new ATOM 1299 N ILE A 83 0.284 5.612 12.337 1.00 0.00 N ATOM 1300 CA ILE A 83 -1.112 6.028 12.223 1.00 0.00 C ATOM 1301 C ILE A 83 -1.351 6.800 10.924 1.00 0.00 C ATOM 1302 O ILE A 83 -0.535 7.634 10.529 1.00 0.00 O ATOM 1303 CB ILE A 83 -1.546 6.903 13.425 1.00 0.00 C ATOM 1304 CG1 ILE A 83 -1.152 6.240 14.751 1.00 0.00 C ATOM 1305 CG2 ILE A 83 -3.047 7.158 13.384 1.00 0.00 C ATOM 1306 CD1 ILE A 83 -1.450 7.092 15.969 1.00 0.00 C ATOM 0 H ILE A 83 0.851 6.206 12.941 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.713 5.119 12.217 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.029 7.860 13.354 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.680 5.291 14.844 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.087 6.011 14.730 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.335 7.774 14.236 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.303 7.675 12.459 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.579 6.208 13.428 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.145 6.559 16.869 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.901 8.031 15.900 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.519 7.300 16.015 1.00 0.00 H new ATOM 1318 N LEU A 84 -2.478 6.516 10.267 1.00 0.00 N ATOM 1319 CA LEU A 84 -2.836 7.179 9.014 1.00 0.00 C ATOM 1320 C LEU A 84 -3.117 8.665 9.245 1.00 0.00 C ATOM 1321 O LEU A 84 -3.067 9.145 10.379 1.00 0.00 O ATOM 1322 CB LEU A 84 -4.065 6.503 8.394 1.00 0.00 C ATOM 1323 CG LEU A 84 -3.798 5.169 7.687 1.00 0.00 C ATOM 1324 CD1 LEU A 84 -5.061 4.669 7.002 1.00 0.00 C ATOM 1325 CD2 LEU A 84 -2.662 5.306 6.681 1.00 0.00 C ATOM 0 H LEU A 84 -3.160 5.828 10.585 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.994 7.091 8.327 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.802 6.337 9.180 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.513 7.191 7.677 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.499 4.438 8.438 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.854 3.721 6.505 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.845 4.526 7.745 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.389 5.401 6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.491 4.347 6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.927 6.053 5.932 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.754 5.617 7.198 1.00 0.00 H new ATOM 1337 N GLU A 85 -3.413 9.388 8.164 1.00 0.00 N ATOM 1338 CA GLU A 85 -3.698 10.816 8.250 1.00 0.00 C ATOM 1339 C GLU A 85 -4.151 11.363 6.900 1.00 0.00 C ATOM 1340 O GLU A 85 -3.333 11.573 6.003 1.00 0.00 O ATOM 1341 CB GLU A 85 -2.463 11.588 8.730 1.00 0.00 C ATOM 1342 CG GLU A 85 -1.162 11.131 8.081 1.00 0.00 C ATOM 1343 CD GLU A 85 -0.343 12.282 7.530 1.00 0.00 C ATOM 1344 OE1 GLU A 85 -0.804 12.938 6.572 1.00 0.00 O ATOM 1345 OE2 GLU A 85 0.762 12.528 8.056 1.00 0.00 O ATOM 0 H GLU A 85 -3.461 9.006 7.220 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.503 10.950 8.972 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.607 12.649 8.526 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.376 11.480 9.811 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.567 10.587 8.815 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.389 10.434 7.274 1.00 0.00 H new ATOM 1352 N ASP A 86 -5.460 11.585 6.771 1.00 0.00 N ATOM 1353 CA ASP A 86 -6.048 12.114 5.535 1.00 0.00 C ATOM 1354 C ASP A 86 -5.115 13.116 4.857 1.00 0.00 C ATOM 1355 O ASP A 86 -4.877 14.209 5.378 1.00 0.00 O ATOM 1356 CB ASP A 86 -7.392 12.791 5.830 1.00 0.00 C ATOM 1357 CG ASP A 86 -8.318 12.820 4.624 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -7.819 12.815 3.480 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -9.547 12.848 4.827 1.00 0.00 O ATOM 0 H ASP A 86 -6.138 11.406 7.511 1.00 0.00 H new ATOM 0 HA ASP A 86 -6.202 11.272 4.860 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.886 12.266 6.648 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.212 13.811 6.168 1.00 0.00 H new ATOM 1364 N GLY A 87 -4.590 12.731 3.696 1.00 0.00 N ATOM 1365 CA GLY A 87 -3.686 13.599 2.960 1.00 0.00 C ATOM 1366 C GLY A 87 -2.230 13.174 3.076 1.00 0.00 C ATOM 1367 O GLY A 87 -1.329 14.007 2.964 1.00 0.00 O ATOM 0 H GLY A 87 -4.775 11.832 3.251 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.974 13.607 1.909 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.791 14.620 3.327 1.00 0.00 H new ATOM 1371 N ASP A 88 -1.997 11.877 3.294 1.00 0.00 N ATOM 1372 CA ASP A 88 -0.639 11.350 3.418 1.00 0.00 C ATOM 1373 C ASP A 88 -0.137 10.803 2.081 1.00 0.00 C ATOM 1374 O ASP A 88 -0.922 10.577 1.155 1.00 0.00 O ATOM 1375 CB ASP A 88 -0.573 10.257 4.497 1.00 0.00 C ATOM 1376 CG ASP A 88 -1.649 9.193 4.346 1.00 0.00 C ATOM 1377 OD1 ASP A 88 -1.869 8.724 3.211 1.00 0.00 O ATOM 1378 OD2 ASP A 88 -2.270 8.828 5.365 1.00 0.00 O ATOM 0 H ASP A 88 -2.731 11.175 3.388 1.00 0.00 H new ATOM 0 HA ASP A 88 0.010 12.173 3.717 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.407 9.780 4.461 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.666 10.720 5.479 1.00 0.00 H new ATOM 1383 N ILE A 89 1.176 10.598 1.987 1.00 0.00 N ATOM 1384 CA ILE A 89 1.797 10.085 0.768 1.00 0.00 C ATOM 1385 C ILE A 89 2.510 8.756 1.028 1.00 0.00 C ATOM 1386 O ILE A 89 3.236 8.616 2.014 1.00 0.00 O ATOM 1387 CB ILE A 89 2.812 11.098 0.190 1.00 0.00 C ATOM 1388 CG1 ILE A 89 2.199 12.505 0.126 1.00 0.00 C ATOM 1389 CG2 ILE A 89 3.286 10.658 -1.190 1.00 0.00 C ATOM 1390 CD1 ILE A 89 0.935 12.589 -0.708 1.00 0.00 C ATOM 0 H ILE A 89 1.833 10.781 2.746 1.00 0.00 H new ATOM 0 HA ILE A 89 0.997 9.927 0.045 1.00 0.00 H new ATOM 0 HB ILE A 89 3.675 11.130 0.855 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.977 12.840 1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.938 13.194 -0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.999 11.385 -1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.766 9.682 -1.116 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.432 10.592 -1.864 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.564 13.614 -0.704 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.154 12.287 -1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.178 11.927 -0.288 1.00 0.00 H new ATOM 1402 N ILE A 90 2.300 7.786 0.136 1.00 0.00 N ATOM 1403 CA ILE A 90 2.924 6.467 0.266 1.00 0.00 C ATOM 1404 C ILE A 90 3.408 5.952 -1.091 1.00 0.00 C ATOM 1405 O ILE A 90 2.877 6.332 -2.134 1.00 0.00 O ATOM 1406 CB ILE A 90 1.949 5.436 0.881 1.00 0.00 C ATOM 1407 CG1 ILE A 90 1.352 5.970 2.185 1.00 0.00 C ATOM 1408 CG2 ILE A 90 2.648 4.106 1.126 1.00 0.00 C ATOM 1409 CD1 ILE A 90 0.034 6.685 1.992 1.00 0.00 C ATOM 0 H ILE A 90 1.703 7.889 -0.684 1.00 0.00 H new ATOM 0 HA ILE A 90 3.778 6.586 0.933 1.00 0.00 H new ATOM 0 HB ILE A 90 1.140 5.272 0.169 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.209 5.140 2.877 1.00 0.00 H new ATOM 0 HG13 ILE A 90 2.063 6.653 2.649 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.941 3.398 1.559 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.023 3.713 0.181 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.481 4.254 1.814 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.333 7.038 2.956 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.175 7.535 1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.692 5.998 1.556 1.00 0.00 H new ATOM 1421 N SER A 91 4.419 5.083 -1.068 1.00 0.00 N ATOM 1422 CA SER A 91 4.972 4.514 -2.295 1.00 0.00 C ATOM 1423 C SER A 91 5.181 3.006 -2.158 1.00 0.00 C ATOM 1424 O SER A 91 5.220 2.478 -1.047 1.00 0.00 O ATOM 1425 CB SER A 91 6.301 5.191 -2.643 1.00 0.00 C ATOM 1426 OG SER A 91 6.167 6.602 -2.667 1.00 0.00 O ATOM 0 H SER A 91 4.871 4.759 -0.213 1.00 0.00 H new ATOM 0 HA SER A 91 4.256 4.691 -3.098 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.059 4.907 -1.913 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.648 4.839 -3.615 1.00 0.00 H new ATOM 0 HG SER A 91 7.030 7.009 -2.890 1.00 0.00 H new ATOM 1432 N PHE A 92 5.313 2.321 -3.296 1.00 0.00 N ATOM 1433 CA PHE A 92 5.521 0.872 -3.316 1.00 0.00 C ATOM 1434 C PHE A 92 6.332 0.460 -4.547 1.00 0.00 C ATOM 1435 O PHE A 92 5.775 -0.002 -5.546 1.00 0.00 O ATOM 1436 CB PHE A 92 4.177 0.129 -3.302 1.00 0.00 C ATOM 1437 CG PHE A 92 3.336 0.400 -2.085 1.00 0.00 C ATOM 1438 CD1 PHE A 92 3.493 -0.358 -0.936 1.00 0.00 C ATOM 1439 CD2 PHE A 92 2.389 1.411 -2.094 1.00 0.00 C ATOM 1440 CE1 PHE A 92 2.718 -0.115 0.181 1.00 0.00 C ATOM 1441 CE2 PHE A 92 1.611 1.659 -0.979 1.00 0.00 C ATOM 1442 CZ PHE A 92 1.777 0.896 0.160 1.00 0.00 C ATOM 0 H PHE A 92 5.279 2.750 -4.221 1.00 0.00 H new ATOM 0 HA PHE A 92 6.080 0.601 -2.420 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.611 0.408 -4.191 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.366 -0.942 -3.368 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.230 -1.148 -0.914 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.257 2.012 -2.982 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.848 -0.715 1.070 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.874 2.448 -0.998 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.172 1.090 1.033 1.00 0.00 H new ATOM 1452 N THR A 93 7.650 0.635 -4.469 1.00 0.00 N ATOM 1453 CA THR A 93 8.539 0.287 -5.576 1.00 0.00 C ATOM 1454 C THR A 93 8.965 -1.179 -5.498 1.00 0.00 C ATOM 1455 O THR A 93 9.403 -1.652 -4.448 1.00 0.00 O ATOM 1456 CB THR A 93 9.777 1.192 -5.575 1.00 0.00 C ATOM 1457 OG1 THR A 93 9.467 2.473 -5.051 1.00 0.00 O ATOM 1458 CG2 THR A 93 10.372 1.394 -6.954 1.00 0.00 C ATOM 0 H THR A 93 8.126 1.016 -3.651 1.00 0.00 H new ATOM 0 HA THR A 93 7.990 0.437 -6.506 1.00 0.00 H new ATOM 0 HB THR A 93 10.507 0.677 -4.951 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.271 3.033 -5.058 1.00 0.00 H new ATOM 0 HG21 THR A 93 11.244 2.044 -6.882 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.670 0.430 -7.366 1.00 0.00 H new ATOM 0 HG23 THR A 93 9.630 1.854 -7.607 1.00 0.00 H new ATOM 1466 N SER A 94 8.834 -1.892 -6.617 1.00 0.00 N ATOM 1467 CA SER A 94 9.204 -3.305 -6.675 1.00 0.00 C ATOM 1468 C SER A 94 10.386 -3.525 -7.617 1.00 0.00 C ATOM 1469 O SER A 94 10.223 -3.560 -8.838 1.00 0.00 O ATOM 1470 CB SER A 94 8.008 -4.148 -7.127 1.00 0.00 C ATOM 1471 OG SER A 94 8.027 -5.429 -6.521 1.00 0.00 O ATOM 0 H SER A 94 8.475 -1.514 -7.494 1.00 0.00 H new ATOM 0 HA SER A 94 9.503 -3.617 -5.674 1.00 0.00 H new ATOM 0 HB2 SER A 94 7.081 -3.635 -6.871 1.00 0.00 H new ATOM 0 HB3 SER A 94 8.024 -4.255 -8.212 1.00 0.00 H new ATOM 0 HG SER A 94 7.252 -5.946 -6.825 1.00 0.00 H new ATOM 1477 N THR A 95 11.575 -3.679 -7.040 1.00 0.00 N ATOM 1478 CA THR A 95 12.789 -3.904 -7.826 1.00 0.00 C ATOM 1479 C THR A 95 12.943 -5.387 -8.167 1.00 0.00 C ATOM 1480 O THR A 95 13.273 -5.739 -9.301 1.00 0.00 O ATOM 1481 CB THR A 95 14.024 -3.406 -7.066 1.00 0.00 C ATOM 1482 OG1 THR A 95 13.666 -2.441 -6.092 1.00 0.00 O ATOM 1483 CG2 THR A 95 15.068 -2.779 -7.964 1.00 0.00 C ATOM 0 H THR A 95 11.726 -3.652 -6.032 1.00 0.00 H new ATOM 0 HA THR A 95 12.701 -3.341 -8.755 1.00 0.00 H new ATOM 0 HB THR A 95 14.449 -4.296 -6.602 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.470 -2.140 -5.619 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.915 -2.448 -7.362 1.00 0.00 H new ATOM 0 HG22 THR A 95 15.407 -3.513 -8.695 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.635 -1.923 -8.483 1.00 0.00 H new