USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 728 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 12 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 40 TYR OH : rot -167:sc= 0.539 USER MOD Set 2.1: A 13 ASN : amide:sc= 0.519 X(o=1.1,f=1.4) USER MOD Set 2.2: A 18 THR OG1 : rot 180:sc= 0.567 USER MOD Single : A 3 THR OG1 : rot 73:sc= 0.022 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -164:sc= -0.0484 (180deg=-0.322) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 15 MET CE :methyl 154:sc= -0.309 (180deg=-1.15) USER MOD Single : A 24 SER OG : rot 180:sc= -0.592 USER MOD Single : A 25 GLN : amide:sc= 0.843 K(o=0.84,f=0) USER MOD Single : A 26 THR OG1 : rot 42:sc= 0.0585 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0435) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 1.2 K(o=1.2,f=-0.053) USER MOD Single : A 38 ASN : amide:sc= 0.985 K(o=0.99,f=-0.26) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 57 TYR OH : rot 30:sc= -0.438 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0291 USER MOD Single : A 60 SER OG : rot 180:sc= -0.0817 USER MOD Single : A 63 LYS NZ :NH3+ -173:sc= 1.2 (180deg=1.15) USER MOD Single : A 65 MET CE :methyl 164:sc= -0.0411 (180deg=-0.348) USER MOD Single : A 66 ASN : amide:sc= -0.803 X(o=-0.8,f=-0.68) USER MOD Single : A 67 LYS NZ :NH3+ 179:sc= 0.601 (180deg=0.551) USER MOD Single : A 70 HIS : no HD1:sc= -1.62 K(o=-1.6,f=0.1) USER MOD Single : A 72 SER OG : rot -1:sc= 0.408 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 1.13 K(o=1.1,f=-0.0019) USER MOD Single : A 80 ASN : amide:sc= -0.011 K(o=-0.011,f=-1.2) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0635) USER MOD Single : A 86 ASN : amide:sc= -0.376 K(o=-0.38,f=-6.3!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -8.685 -1.005 3.703 1.00 0.00 N ATOM 21 CA PHE A 2 -9.650 -1.740 2.893 1.00 0.00 C ATOM 22 C PHE A 2 -10.802 -0.813 2.548 1.00 0.00 C ATOM 23 O PHE A 2 -11.074 0.122 3.295 1.00 0.00 O ATOM 24 CB PHE A 2 -10.183 -2.962 3.649 1.00 0.00 C ATOM 25 CG PHE A 2 -9.111 -3.893 4.138 1.00 0.00 C ATOM 26 CD1 PHE A 2 -8.547 -4.831 3.288 1.00 0.00 C ATOM 27 CD2 PHE A 2 -8.667 -3.829 5.450 1.00 0.00 C ATOM 28 CE1 PHE A 2 -7.562 -5.688 3.738 1.00 0.00 C ATOM 29 CE2 PHE A 2 -7.684 -4.683 5.904 1.00 0.00 C ATOM 30 CZ PHE A 2 -7.129 -5.614 5.048 1.00 0.00 C ATOM 0 HA PHE A 2 -9.158 -2.090 1.985 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -10.771 -2.621 4.502 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -10.859 -3.514 2.996 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -8.881 -4.892 2.263 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -9.096 -3.102 6.124 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -7.130 -6.415 3.066 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -7.348 -4.624 6.929 1.00 0.00 H new ATOM 0 HZ PHE A 2 -6.358 -6.283 5.402 1.00 0.00 H new ATOM 40 N THR A 3 -11.476 -1.052 1.440 1.00 0.00 N ATOM 41 CA THR A 3 -12.569 -0.186 1.037 1.00 0.00 C ATOM 42 C THR A 3 -13.916 -0.850 1.299 1.00 0.00 C ATOM 43 O THR A 3 -14.188 -1.948 0.806 1.00 0.00 O ATOM 44 CB THR A 3 -12.478 0.190 -0.452 1.00 0.00 C ATOM 45 OG1 THR A 3 -11.120 0.102 -0.908 1.00 0.00 O ATOM 46 CG2 THR A 3 -12.991 1.602 -0.675 1.00 0.00 C ATOM 0 H THR A 3 -11.290 -1.830 0.808 1.00 0.00 H new ATOM 0 HA THR A 3 -12.487 0.722 1.634 1.00 0.00 H new ATOM 0 HB THR A 3 -13.094 -0.510 -1.017 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.864 -0.840 -0.992 1.00 0.00 H new ATOM 0 HG21 THR A 3 -12.920 1.852 -1.734 1.00 0.00 H new ATOM 0 HG22 THR A 3 -14.031 1.666 -0.356 1.00 0.00 H new ATOM 0 HG23 THR A 3 -12.391 2.303 -0.095 1.00 0.00 H new ATOM 54 N ALA A 4 -14.744 -0.188 2.088 1.00 0.00 N ATOM 55 CA ALA A 4 -16.085 -0.667 2.366 1.00 0.00 C ATOM 56 C ALA A 4 -17.113 0.331 1.855 1.00 0.00 C ATOM 57 O ALA A 4 -16.984 1.535 2.076 1.00 0.00 O ATOM 58 CB ALA A 4 -16.271 -0.903 3.857 1.00 0.00 C ATOM 0 H ALA A 4 -14.508 0.690 2.550 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.229 -1.616 1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -17.283 -1.262 4.045 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -15.552 -1.647 4.200 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.111 0.031 4.396 1.00 0.00 H new ATOM 64 N LYS A 5 -18.116 -0.170 1.158 1.00 0.00 N ATOM 65 CA LYS A 5 -19.179 0.672 0.631 1.00 0.00 C ATOM 66 C LYS A 5 -20.538 0.065 0.949 1.00 0.00 C ATOM 67 O LYS A 5 -20.743 -1.137 0.775 1.00 0.00 O ATOM 68 CB LYS A 5 -19.020 0.845 -0.884 1.00 0.00 C ATOM 69 CG LYS A 5 -20.168 1.601 -1.541 1.00 0.00 C ATOM 70 CD LYS A 5 -19.995 1.699 -3.051 1.00 0.00 C ATOM 71 CE LYS A 5 -19.832 0.329 -3.684 1.00 0.00 C ATOM 72 NZ LYS A 5 -19.895 0.377 -5.170 1.00 0.00 N ATOM 0 H LYS A 5 -18.219 -1.161 0.942 1.00 0.00 H new ATOM 0 HA LYS A 5 -19.113 1.652 1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -18.088 1.373 -1.084 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -18.934 -0.139 -1.345 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -21.109 1.099 -1.316 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -20.232 2.603 -1.117 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -20.860 2.201 -3.485 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -19.123 2.312 -3.279 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.877 -0.098 -3.378 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -20.612 -0.335 -3.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.779 -0.583 -5.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -20.816 0.759 -5.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -19.135 0.988 -5.530 1.00 0.00 H new ATOM 86 N LEU A 6 -21.458 0.893 1.427 1.00 0.00 N ATOM 87 CA LEU A 6 -22.821 0.448 1.683 1.00 0.00 C ATOM 88 C LEU A 6 -23.516 0.109 0.374 1.00 0.00 C ATOM 89 O LEU A 6 -23.564 0.935 -0.541 1.00 0.00 O ATOM 90 CB LEU A 6 -23.620 1.526 2.413 1.00 0.00 C ATOM 91 CG LEU A 6 -23.976 1.218 3.864 1.00 0.00 C ATOM 92 CD1 LEU A 6 -24.898 2.291 4.416 1.00 0.00 C ATOM 93 CD2 LEU A 6 -24.618 -0.158 3.984 1.00 0.00 C ATOM 0 H LEU A 6 -21.285 1.874 1.645 1.00 0.00 H new ATOM 0 HA LEU A 6 -22.771 -0.440 2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -23.050 2.455 2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -24.543 1.704 1.862 1.00 0.00 H new ATOM 0 HG LEU A 6 -23.058 1.212 4.452 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -25.145 2.060 5.452 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -24.399 3.259 4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -25.812 2.325 3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -24.863 -0.355 5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -25.528 -0.188 3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -23.922 -0.917 3.625 1.00 0.00 H new ATOM 105 N ILE A 7 -24.042 -1.100 0.283 1.00 0.00 N ATOM 106 CA ILE A 7 -24.738 -1.531 -0.918 1.00 0.00 C ATOM 107 C ILE A 7 -26.229 -1.700 -0.645 1.00 0.00 C ATOM 108 O ILE A 7 -27.040 -1.769 -1.567 1.00 0.00 O ATOM 109 CB ILE A 7 -24.153 -2.851 -1.467 1.00 0.00 C ATOM 110 CG1 ILE A 7 -24.428 -4.016 -0.507 1.00 0.00 C ATOM 111 CG2 ILE A 7 -22.663 -2.696 -1.709 1.00 0.00 C ATOM 112 CD1 ILE A 7 -23.972 -5.361 -1.033 1.00 0.00 C ATOM 0 H ILE A 7 -24.001 -1.800 1.024 1.00 0.00 H new ATOM 0 HA ILE A 7 -24.599 -0.756 -1.671 1.00 0.00 H new ATOM 0 HB ILE A 7 -24.642 -3.079 -2.414 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -23.929 -3.819 0.442 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -25.497 -4.060 -0.301 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -22.258 -3.631 -2.096 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -22.493 -1.900 -2.433 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -22.166 -2.446 -0.772 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -24.200 -6.135 -0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -24.490 -5.581 -1.966 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -22.897 -5.336 -1.212 1.00 0.00 H new ATOM 124 N LYS A 8 -26.582 -1.758 0.632 1.00 0.00 N ATOM 125 CA LYS A 8 -27.970 -1.904 1.041 1.00 0.00 C ATOM 126 C LYS A 8 -28.323 -0.862 2.091 1.00 0.00 C ATOM 127 O LYS A 8 -27.562 -0.639 3.034 1.00 0.00 O ATOM 128 CB LYS A 8 -28.218 -3.305 1.608 1.00 0.00 C ATOM 129 CG LYS A 8 -28.065 -4.425 0.592 1.00 0.00 C ATOM 130 CD LYS A 8 -28.213 -5.787 1.252 1.00 0.00 C ATOM 131 CE LYS A 8 -28.208 -6.915 0.234 1.00 0.00 C ATOM 132 NZ LYS A 8 -29.355 -6.819 -0.705 1.00 0.00 N ATOM 0 H LYS A 8 -25.920 -1.706 1.406 1.00 0.00 H new ATOM 0 HA LYS A 8 -28.601 -1.759 0.164 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -27.525 -3.479 2.431 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -29.224 -3.343 2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -28.814 -4.314 -0.192 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -27.089 -4.354 0.112 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -27.400 -5.936 1.963 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -29.143 -5.816 1.821 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -27.275 -6.892 -0.329 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -28.243 -7.873 0.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -29.477 -7.726 -1.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -30.221 -6.595 -0.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -29.172 -6.068 -1.401 1.00 0.00 H new ATOM 146 N GLY A 9 -29.464 -0.216 1.919 1.00 0.00 N ATOM 147 CA GLY A 9 -29.934 0.726 2.913 1.00 0.00 C ATOM 148 C GLY A 9 -29.828 2.167 2.461 1.00 0.00 C ATOM 149 O GLY A 9 -30.335 2.531 1.399 1.00 0.00 O ATOM 0 H GLY A 9 -30.074 -0.326 1.109 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -30.973 0.502 3.154 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -29.359 0.595 3.830 1.00 0.00 H new ATOM 153 N LYS A 10 -29.140 2.979 3.253 1.00 0.00 N ATOM 154 CA LYS A 10 -29.097 4.415 3.041 1.00 0.00 C ATOM 155 C LYS A 10 -27.903 5.012 3.772 1.00 0.00 C ATOM 156 O LYS A 10 -27.024 5.618 3.160 1.00 0.00 O ATOM 157 CB LYS A 10 -30.392 5.057 3.557 1.00 0.00 C ATOM 158 CG LYS A 10 -30.469 6.567 3.356 1.00 0.00 C ATOM 159 CD LYS A 10 -30.731 6.936 1.904 1.00 0.00 C ATOM 160 CE LYS A 10 -32.067 6.388 1.426 1.00 0.00 C ATOM 161 NZ LYS A 10 -32.413 6.863 0.061 1.00 0.00 N ATOM 0 H LYS A 10 -28.599 2.660 4.057 1.00 0.00 H new ATOM 0 HA LYS A 10 -28.998 4.613 1.974 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -31.240 4.592 3.054 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -30.493 4.838 4.620 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -31.261 6.976 3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -29.535 7.024 3.683 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -30.720 8.020 1.795 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -29.930 6.545 1.277 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -32.034 5.299 1.432 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -32.850 6.687 2.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -33.331 6.465 -0.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -32.471 7.901 0.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -31.680 6.556 -0.610 1.00 0.00 H new ATOM 175 N THR A 11 -27.878 4.832 5.086 1.00 0.00 N ATOM 176 CA THR A 11 -26.817 5.375 5.919 1.00 0.00 C ATOM 177 C THR A 11 -26.643 4.524 7.177 1.00 0.00 C ATOM 178 O THR A 11 -27.581 4.357 7.958 1.00 0.00 O ATOM 179 CB THR A 11 -27.122 6.836 6.323 1.00 0.00 C ATOM 180 OG1 THR A 11 -27.396 7.624 5.155 1.00 0.00 O ATOM 181 CG2 THR A 11 -25.954 7.448 7.080 1.00 0.00 C ATOM 0 H THR A 11 -28.587 4.309 5.600 1.00 0.00 H new ATOM 0 HA THR A 11 -25.894 5.358 5.339 1.00 0.00 H new ATOM 0 HB THR A 11 -27.996 6.829 6.974 1.00 0.00 H new ATOM 0 HG1 THR A 11 -27.589 8.547 5.421 1.00 0.00 H new ATOM 0 HG21 THR A 11 -26.195 8.476 7.352 1.00 0.00 H new ATOM 0 HG22 THR A 11 -25.762 6.869 7.983 1.00 0.00 H new ATOM 0 HG23 THR A 11 -25.066 7.439 6.448 1.00 0.00 H new ATOM 189 N TYR A 12 -25.448 3.988 7.364 1.00 0.00 N ATOM 190 CA TYR A 12 -25.164 3.116 8.493 1.00 0.00 C ATOM 191 C TYR A 12 -23.844 3.528 9.135 1.00 0.00 C ATOM 192 O TYR A 12 -22.822 3.635 8.458 1.00 0.00 O ATOM 193 CB TYR A 12 -25.101 1.658 8.021 1.00 0.00 C ATOM 194 CG TYR A 12 -25.175 0.632 9.133 1.00 0.00 C ATOM 195 CD1 TYR A 12 -24.078 0.366 9.942 1.00 0.00 C ATOM 196 CD2 TYR A 12 -26.346 -0.079 9.365 1.00 0.00 C ATOM 197 CE1 TYR A 12 -24.145 -0.575 10.951 1.00 0.00 C ATOM 198 CE2 TYR A 12 -26.421 -1.021 10.373 1.00 0.00 C ATOM 199 CZ TYR A 12 -25.319 -1.264 11.164 1.00 0.00 C ATOM 200 OH TYR A 12 -25.386 -2.209 12.165 1.00 0.00 O ATOM 0 H TYR A 12 -24.653 4.143 6.744 1.00 0.00 H new ATOM 0 HA TYR A 12 -25.959 3.206 9.233 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -25.920 1.480 7.325 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -24.174 1.509 7.468 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -23.156 0.904 9.779 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -27.212 0.108 8.747 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -23.282 -0.770 11.570 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -27.339 -1.564 10.540 1.00 0.00 H new ATOM 0 HH TYR A 12 -26.283 -2.603 12.184 1.00 0.00 H new ATOM 210 N ASN A 13 -23.874 3.776 10.433 1.00 0.00 N ATOM 211 CA ASN A 13 -22.679 4.189 11.156 1.00 0.00 C ATOM 212 C ASN A 13 -22.047 2.995 11.859 1.00 0.00 C ATOM 213 O ASN A 13 -22.667 2.376 12.722 1.00 0.00 O ATOM 214 CB ASN A 13 -23.028 5.277 12.174 1.00 0.00 C ATOM 215 CG ASN A 13 -21.828 5.726 12.989 1.00 0.00 C ATOM 216 OD1 ASN A 13 -21.527 5.157 14.040 1.00 0.00 O ATOM 217 ND2 ASN A 13 -21.150 6.761 12.523 1.00 0.00 N ATOM 0 H ASN A 13 -24.712 3.699 11.010 1.00 0.00 H new ATOM 0 HA ASN A 13 -21.961 4.593 10.442 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -23.449 6.136 11.651 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -23.800 4.904 12.847 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -20.345 7.117 13.038 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -21.432 7.204 11.649 1.00 0.00 H new ATOM 224 N VAL A 14 -20.820 2.668 11.482 1.00 0.00 N ATOM 225 CA VAL A 14 -20.130 1.524 12.057 1.00 0.00 C ATOM 226 C VAL A 14 -18.954 1.979 12.911 1.00 0.00 C ATOM 227 O VAL A 14 -17.943 2.451 12.385 1.00 0.00 O ATOM 228 CB VAL A 14 -19.612 0.561 10.968 1.00 0.00 C ATOM 229 CG1 VAL A 14 -19.078 -0.718 11.592 1.00 0.00 C ATOM 230 CG2 VAL A 14 -20.700 0.248 9.958 1.00 0.00 C ATOM 0 H VAL A 14 -20.282 3.178 10.781 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.855 0.996 12.676 1.00 0.00 H new ATOM 0 HB VAL A 14 -18.794 1.055 10.443 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -18.718 -1.383 10.807 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -18.258 -0.478 12.269 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -19.875 -1.212 12.148 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -20.309 -0.432 9.201 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.544 -0.219 10.465 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -21.030 1.171 9.481 1.00 0.00 H new ATOM 240 N MET A 15 -19.122 1.883 14.230 1.00 0.00 N ATOM 241 CA MET A 15 -18.048 2.146 15.199 1.00 0.00 C ATOM 242 C MET A 15 -17.712 3.637 15.278 1.00 0.00 C ATOM 243 O MET A 15 -16.864 4.053 16.067 1.00 0.00 O ATOM 244 CB MET A 15 -16.789 1.347 14.839 1.00 0.00 C ATOM 245 CG MET A 15 -15.768 1.256 15.961 1.00 0.00 C ATOM 246 SD MET A 15 -16.284 0.126 17.268 1.00 0.00 S ATOM 247 CE MET A 15 -16.340 -1.418 16.360 1.00 0.00 C ATOM 0 H MET A 15 -20.008 1.620 14.662 1.00 0.00 H new ATOM 0 HA MET A 15 -18.408 1.827 16.177 1.00 0.00 H new ATOM 0 HB2 MET A 15 -17.083 0.339 14.548 1.00 0.00 H new ATOM 0 HB3 MET A 15 -16.317 1.805 13.970 1.00 0.00 H new ATOM 0 HG2 MET A 15 -14.813 0.925 15.554 1.00 0.00 H new ATOM 0 HG3 MET A 15 -15.607 2.248 16.384 1.00 0.00 H new ATOM 0 HE1 MET A 15 -16.183 -2.250 17.047 1.00 0.00 H new ATOM 0 HE2 MET A 15 -17.313 -1.522 15.879 1.00 0.00 H new ATOM 0 HE3 MET A 15 -15.558 -1.422 15.601 1.00 0.00 H new ATOM 257 N GLY A 16 -18.387 4.438 14.472 1.00 0.00 N ATOM 258 CA GLY A 16 -18.100 5.853 14.427 1.00 0.00 C ATOM 259 C GLY A 16 -17.989 6.354 13.007 1.00 0.00 C ATOM 260 O GLY A 16 -18.290 7.513 12.723 1.00 0.00 O ATOM 0 H GLY A 16 -19.132 4.132 13.846 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.887 6.401 14.946 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -17.169 6.053 14.958 1.00 0.00 H new ATOM 264 N ILE A 17 -17.573 5.474 12.108 1.00 0.00 N ATOM 265 CA ILE A 17 -17.461 5.818 10.697 1.00 0.00 C ATOM 266 C ILE A 17 -18.830 5.691 10.033 1.00 0.00 C ATOM 267 O ILE A 17 -19.442 4.621 10.041 1.00 0.00 O ATOM 268 CB ILE A 17 -16.427 4.932 9.944 1.00 0.00 C ATOM 269 CG1 ILE A 17 -14.987 5.191 10.426 1.00 0.00 C ATOM 270 CG2 ILE A 17 -16.513 5.183 8.445 1.00 0.00 C ATOM 271 CD1 ILE A 17 -14.700 4.747 11.847 1.00 0.00 C ATOM 0 H ILE A 17 -17.307 4.515 12.330 1.00 0.00 H new ATOM 0 HA ILE A 17 -17.104 6.846 10.639 1.00 0.00 H new ATOM 0 HB ILE A 17 -16.673 3.892 10.160 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -14.297 4.680 9.755 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -14.779 6.258 10.345 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -15.785 4.557 7.929 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.515 4.940 8.092 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -16.301 6.232 8.239 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -13.663 4.971 12.096 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -15.360 5.277 12.534 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -14.871 3.674 11.934 1.00 0.00 H new ATOM 283 N THR A 18 -19.314 6.794 9.487 1.00 0.00 N ATOM 284 CA THR A 18 -20.631 6.825 8.877 1.00 0.00 C ATOM 285 C THR A 18 -20.558 6.468 7.395 1.00 0.00 C ATOM 286 O THR A 18 -19.958 7.190 6.596 1.00 0.00 O ATOM 287 CB THR A 18 -21.272 8.217 9.039 1.00 0.00 C ATOM 288 OG1 THR A 18 -21.101 8.670 10.388 1.00 0.00 O ATOM 289 CG2 THR A 18 -22.754 8.176 8.703 1.00 0.00 C ATOM 0 H THR A 18 -18.812 7.682 9.454 1.00 0.00 H new ATOM 0 HA THR A 18 -21.247 6.084 9.387 1.00 0.00 H new ATOM 0 HB THR A 18 -20.780 8.904 8.351 1.00 0.00 H new ATOM 0 HG1 THR A 18 -21.508 9.556 10.490 1.00 0.00 H new ATOM 0 HG21 THR A 18 -23.182 9.171 8.825 1.00 0.00 H new ATOM 0 HG22 THR A 18 -22.884 7.849 7.671 1.00 0.00 H new ATOM 0 HG23 THR A 18 -23.259 7.479 9.371 1.00 0.00 H new ATOM 297 N PHE A 19 -21.162 5.346 7.038 1.00 0.00 N ATOM 298 CA PHE A 19 -21.221 4.918 5.651 1.00 0.00 C ATOM 299 C PHE A 19 -22.575 5.263 5.058 1.00 0.00 C ATOM 300 O PHE A 19 -23.597 5.182 5.736 1.00 0.00 O ATOM 301 CB PHE A 19 -21.001 3.409 5.534 1.00 0.00 C ATOM 302 CG PHE A 19 -19.675 2.939 6.054 1.00 0.00 C ATOM 303 CD1 PHE A 19 -18.556 2.940 5.239 1.00 0.00 C ATOM 304 CD2 PHE A 19 -19.553 2.488 7.357 1.00 0.00 C ATOM 305 CE1 PHE A 19 -17.339 2.503 5.715 1.00 0.00 C ATOM 306 CE2 PHE A 19 -18.338 2.048 7.838 1.00 0.00 C ATOM 307 CZ PHE A 19 -17.230 2.055 7.017 1.00 0.00 C ATOM 0 H PHE A 19 -21.620 4.713 7.694 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.432 5.437 5.107 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -21.794 2.894 6.076 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -21.091 3.120 4.487 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.638 3.287 4.220 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -20.418 2.481 8.003 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.472 2.511 5.071 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -18.254 1.698 8.856 1.00 0.00 H new ATOM 0 HZ PHE A 19 -16.278 1.710 7.392 1.00 0.00 H new ATOM 317 N ARG A 20 -22.580 5.651 3.798 1.00 0.00 N ATOM 318 CA ARG A 20 -23.820 5.883 3.083 1.00 0.00 C ATOM 319 C ARG A 20 -23.836 5.029 1.828 1.00 0.00 C ATOM 320 O ARG A 20 -22.790 4.824 1.208 1.00 0.00 O ATOM 321 CB ARG A 20 -23.992 7.362 2.726 1.00 0.00 C ATOM 322 CG ARG A 20 -24.103 8.270 3.943 1.00 0.00 C ATOM 323 CD ARG A 20 -24.616 9.654 3.574 1.00 0.00 C ATOM 324 NE ARG A 20 -23.697 10.381 2.696 1.00 0.00 N ATOM 325 CZ ARG A 20 -24.099 11.223 1.741 1.00 0.00 C ATOM 326 NH1 ARG A 20 -25.391 11.402 1.514 1.00 0.00 N ATOM 327 NH2 ARG A 20 -23.208 11.883 1.011 1.00 0.00 N ATOM 0 H ARG A 20 -21.737 5.813 3.247 1.00 0.00 H new ATOM 0 HA ARG A 20 -24.654 5.606 3.728 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -23.145 7.682 2.119 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -24.886 7.478 2.113 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -24.773 7.817 4.674 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -23.127 8.360 4.419 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -25.584 9.559 3.082 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -24.777 10.232 4.484 1.00 0.00 H new ATOM 0 HE ARG A 20 -22.695 10.236 2.821 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -26.081 10.896 2.069 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -25.696 12.046 0.784 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -22.211 11.748 1.178 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -23.520 12.525 0.283 1.00 0.00 H new ATOM 341 N ALA A 21 -25.004 4.497 1.488 1.00 0.00 N ATOM 342 CA ALA A 21 -25.148 3.654 0.307 1.00 0.00 C ATOM 343 C ALA A 21 -24.607 4.346 -0.939 1.00 0.00 C ATOM 344 O ALA A 21 -25.138 5.366 -1.380 1.00 0.00 O ATOM 345 CB ALA A 21 -26.603 3.260 0.117 1.00 0.00 C ATOM 0 H ALA A 21 -25.867 4.635 2.014 1.00 0.00 H new ATOM 0 HA ALA A 21 -24.559 2.750 0.462 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -26.697 2.631 -0.768 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -26.948 2.709 0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -27.209 4.157 -0.009 1.00 0.00 H new ATOM 351 N GLY A 22 -23.531 3.791 -1.485 1.00 0.00 N ATOM 352 CA GLY A 22 -22.921 4.360 -2.670 1.00 0.00 C ATOM 353 C GLY A 22 -21.553 4.963 -2.400 1.00 0.00 C ATOM 354 O GLY A 22 -20.800 5.241 -3.334 1.00 0.00 O ATOM 0 H GLY A 22 -23.070 2.955 -1.126 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -22.827 3.586 -3.431 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.578 5.129 -3.077 1.00 0.00 H new ATOM 358 N VAL A 23 -21.221 5.157 -1.130 1.00 0.00 N ATOM 359 CA VAL A 23 -19.960 5.792 -0.757 1.00 0.00 C ATOM 360 C VAL A 23 -18.947 4.770 -0.236 1.00 0.00 C ATOM 361 O VAL A 23 -19.138 4.181 0.831 1.00 0.00 O ATOM 362 CB VAL A 23 -20.175 6.883 0.316 1.00 0.00 C ATOM 363 CG1 VAL A 23 -18.863 7.575 0.658 1.00 0.00 C ATOM 364 CG2 VAL A 23 -21.213 7.896 -0.146 1.00 0.00 C ATOM 0 H VAL A 23 -21.806 4.884 -0.340 1.00 0.00 H new ATOM 0 HA VAL A 23 -19.564 6.253 -1.662 1.00 0.00 H new ATOM 0 HB VAL A 23 -20.548 6.399 1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -19.041 8.339 1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -18.154 6.841 1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -18.453 8.041 -0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -21.349 8.655 0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -20.874 8.370 -1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -22.161 7.389 -0.327 1.00 0.00 H new ATOM 374 N SER A 24 -17.889 4.547 -1.010 1.00 0.00 N ATOM 375 CA SER A 24 -16.776 3.708 -0.582 1.00 0.00 C ATOM 376 C SER A 24 -15.846 4.484 0.355 1.00 0.00 C ATOM 377 O SER A 24 -15.541 5.654 0.105 1.00 0.00 O ATOM 378 CB SER A 24 -15.986 3.223 -1.802 1.00 0.00 C ATOM 379 OG SER A 24 -16.827 2.577 -2.744 1.00 0.00 O ATOM 0 H SER A 24 -17.780 4.940 -1.945 1.00 0.00 H new ATOM 0 HA SER A 24 -17.179 2.849 -0.046 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.491 4.070 -2.276 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.204 2.536 -1.480 1.00 0.00 H new ATOM 0 HG SER A 24 -16.293 2.281 -3.511 1.00 0.00 H new ATOM 385 N GLN A 25 -15.405 3.838 1.431 1.00 0.00 N ATOM 386 CA GLN A 25 -14.493 4.459 2.392 1.00 0.00 C ATOM 387 C GLN A 25 -13.458 3.452 2.882 1.00 0.00 C ATOM 388 O GLN A 25 -13.721 2.251 2.914 1.00 0.00 O ATOM 389 CB GLN A 25 -15.262 5.037 3.586 1.00 0.00 C ATOM 390 CG GLN A 25 -16.096 6.262 3.249 1.00 0.00 C ATOM 391 CD GLN A 25 -16.833 6.823 4.449 1.00 0.00 C ATOM 392 OE1 GLN A 25 -16.317 7.682 5.169 1.00 0.00 O ATOM 393 NE2 GLN A 25 -18.044 6.340 4.672 1.00 0.00 N ATOM 0 H GLN A 25 -15.665 2.879 1.662 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.979 5.274 1.882 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -15.916 4.265 3.992 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.552 5.298 4.371 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -15.448 7.034 2.834 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -16.818 6.002 2.475 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -18.432 5.630 4.051 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -18.590 6.677 5.465 1.00 0.00 H new ATOM 402 N THR A 26 -12.287 3.947 3.260 1.00 0.00 N ATOM 403 CA THR A 26 -11.211 3.099 3.751 1.00 0.00 C ATOM 404 C THR A 26 -11.391 2.782 5.236 1.00 0.00 C ATOM 405 O THR A 26 -11.496 3.688 6.064 1.00 0.00 O ATOM 406 CB THR A 26 -9.847 3.773 3.525 1.00 0.00 C ATOM 407 OG1 THR A 26 -9.930 5.162 3.876 1.00 0.00 O ATOM 408 CG2 THR A 26 -9.404 3.634 2.075 1.00 0.00 C ATOM 0 H THR A 26 -12.058 4.941 3.235 1.00 0.00 H new ATOM 0 HA THR A 26 -11.245 2.164 3.192 1.00 0.00 H new ATOM 0 HB THR A 26 -9.110 3.279 4.158 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.453 5.261 4.699 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.437 4.119 1.942 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.318 2.578 1.820 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.139 4.106 1.423 1.00 0.00 H new ATOM 416 N VAL A 27 -11.427 1.495 5.564 1.00 0.00 N ATOM 417 CA VAL A 27 -11.686 1.055 6.927 1.00 0.00 C ATOM 418 C VAL A 27 -10.508 0.266 7.507 1.00 0.00 C ATOM 419 O VAL A 27 -9.703 -0.310 6.764 1.00 0.00 O ATOM 420 CB VAL A 27 -12.960 0.185 6.998 1.00 0.00 C ATOM 421 CG1 VAL A 27 -14.153 0.942 6.446 1.00 0.00 C ATOM 422 CG2 VAL A 27 -12.768 -1.132 6.253 1.00 0.00 C ATOM 0 H VAL A 27 -11.279 0.736 4.899 1.00 0.00 H new ATOM 0 HA VAL A 27 -11.828 1.957 7.522 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.152 -0.047 8.046 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -15.041 0.313 6.504 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.311 1.848 7.031 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -13.965 1.209 5.406 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.681 -1.724 6.320 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.543 -0.928 5.206 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.943 -1.686 6.700 1.00 0.00 H new ATOM 432 N PRO A 28 -10.381 0.269 8.850 1.00 0.00 N ATOM 433 CA PRO A 28 -9.360 -0.500 9.576 1.00 0.00 C ATOM 434 C PRO A 28 -9.645 -2.002 9.613 1.00 0.00 C ATOM 435 O PRO A 28 -10.711 -2.464 9.193 1.00 0.00 O ATOM 436 CB PRO A 28 -9.433 0.059 11.008 1.00 0.00 C ATOM 437 CG PRO A 28 -10.249 1.301 10.908 1.00 0.00 C ATOM 438 CD PRO A 28 -11.196 1.067 9.772 1.00 0.00 C ATOM 0 HA PRO A 28 -8.388 -0.400 9.093 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.893 -0.659 11.687 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.438 0.273 11.397 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.788 1.492 11.836 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -9.619 2.171 10.721 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.091 0.533 10.091 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -11.527 2.001 9.319 1.00 0.00 H new ATOM 446 N LYS A 29 -8.673 -2.740 10.144 1.00 0.00 N ATOM 447 CA LYS A 29 -8.771 -4.183 10.366 1.00 0.00 C ATOM 448 C LYS A 29 -10.068 -4.557 11.089 1.00 0.00 C ATOM 449 O LYS A 29 -10.763 -5.498 10.699 1.00 0.00 O ATOM 450 CB LYS A 29 -7.562 -4.620 11.200 1.00 0.00 C ATOM 451 CG LYS A 29 -7.521 -6.095 11.557 1.00 0.00 C ATOM 452 CD LYS A 29 -6.386 -6.374 12.529 1.00 0.00 C ATOM 453 CE LYS A 29 -6.287 -7.845 12.881 1.00 0.00 C ATOM 454 NZ LYS A 29 -5.247 -8.094 13.915 1.00 0.00 N ATOM 0 H LYS A 29 -7.779 -2.346 10.438 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.781 -4.692 9.402 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.654 -4.370 10.652 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.548 -4.039 12.122 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.470 -6.395 12.001 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.389 -6.691 10.654 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.444 -6.042 12.092 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.537 -5.793 13.439 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.252 -8.198 13.243 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.054 -8.419 11.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.208 -9.111 14.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.322 -7.780 13.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.483 -7.566 14.779 1.00 0.00 H new ATOM 468 N LYS A 30 -10.379 -3.818 12.149 1.00 0.00 N ATOM 469 CA LYS A 30 -11.579 -4.061 12.946 1.00 0.00 C ATOM 470 C LYS A 30 -12.848 -3.990 12.107 1.00 0.00 C ATOM 471 O LYS A 30 -13.642 -4.929 12.095 1.00 0.00 O ATOM 472 CB LYS A 30 -11.658 -3.060 14.099 1.00 0.00 C ATOM 473 CG LYS A 30 -10.770 -3.426 15.273 1.00 0.00 C ATOM 474 CD LYS A 30 -11.323 -4.637 16.011 1.00 0.00 C ATOM 475 CE LYS A 30 -10.362 -5.148 17.071 1.00 0.00 C ATOM 476 NZ LYS A 30 -9.177 -5.819 16.476 1.00 0.00 N ATOM 0 H LYS A 30 -9.811 -3.038 12.479 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.505 -5.073 13.345 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.377 -2.072 13.734 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.691 -2.991 14.441 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.761 -3.639 14.919 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.696 -2.580 15.957 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.272 -4.374 16.479 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.530 -5.433 15.296 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.032 -4.315 17.692 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.883 -5.847 17.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.619 -6.269 17.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.492 -6.543 15.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.590 -5.115 15.984 1.00 0.00 H new ATOM 490 N LEU A 31 -13.028 -2.888 11.394 1.00 0.00 N ATOM 491 CA LEU A 31 -14.250 -2.674 10.631 1.00 0.00 C ATOM 492 C LEU A 31 -14.357 -3.654 9.474 1.00 0.00 C ATOM 493 O LEU A 31 -15.452 -4.091 9.127 1.00 0.00 O ATOM 494 CB LEU A 31 -14.322 -1.241 10.109 1.00 0.00 C ATOM 495 CG LEU A 31 -14.409 -0.162 11.187 1.00 0.00 C ATOM 496 CD1 LEU A 31 -14.656 1.199 10.556 1.00 0.00 C ATOM 497 CD2 LEU A 31 -15.504 -0.495 12.186 1.00 0.00 C ATOM 0 H LEU A 31 -12.347 -2.131 11.327 1.00 0.00 H new ATOM 0 HA LEU A 31 -15.089 -2.845 11.305 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.442 -1.050 9.496 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -15.191 -1.152 9.457 1.00 0.00 H new ATOM 0 HG LEU A 31 -13.459 -0.127 11.720 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.715 1.957 11.337 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.837 1.440 9.878 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -15.593 1.177 9.999 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.552 0.284 12.947 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -16.462 -0.557 11.669 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -15.285 -1.452 12.660 1.00 0.00 H new ATOM 509 N TYR A 32 -13.221 -4.013 8.892 1.00 0.00 N ATOM 510 CA TYR A 32 -13.196 -4.958 7.784 1.00 0.00 C ATOM 511 C TYR A 32 -13.791 -6.298 8.210 1.00 0.00 C ATOM 512 O TYR A 32 -14.549 -6.915 7.467 1.00 0.00 O ATOM 513 CB TYR A 32 -11.762 -5.146 7.282 1.00 0.00 C ATOM 514 CG TYR A 32 -11.644 -6.049 6.074 1.00 0.00 C ATOM 515 CD1 TYR A 32 -12.161 -5.664 4.843 1.00 0.00 C ATOM 516 CD2 TYR A 32 -11.014 -7.285 6.164 1.00 0.00 C ATOM 517 CE1 TYR A 32 -12.052 -6.484 3.736 1.00 0.00 C ATOM 518 CE2 TYR A 32 -10.899 -8.109 5.060 1.00 0.00 C ATOM 519 CZ TYR A 32 -11.420 -7.704 3.849 1.00 0.00 C ATOM 520 OH TYR A 32 -11.303 -8.519 2.745 1.00 0.00 O ATOM 0 H TYR A 32 -12.304 -3.664 9.169 1.00 0.00 H new ATOM 0 HA TYR A 32 -13.801 -4.556 6.971 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -11.344 -4.170 7.035 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -11.157 -5.557 8.090 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -12.656 -4.709 4.750 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.608 -7.607 7.112 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.460 -6.170 2.787 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -10.404 -9.065 5.145 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.831 -9.341 2.994 1.00 0.00 H new ATOM 530 N GLU A 33 -13.461 -6.730 9.421 1.00 0.00 N ATOM 531 CA GLU A 33 -13.968 -7.992 9.947 1.00 0.00 C ATOM 532 C GLU A 33 -15.397 -7.815 10.472 1.00 0.00 C ATOM 533 O GLU A 33 -16.266 -8.683 10.289 1.00 0.00 O ATOM 534 CB GLU A 33 -13.038 -8.497 11.055 1.00 0.00 C ATOM 535 CG GLU A 33 -13.325 -9.918 11.508 1.00 0.00 C ATOM 536 CD GLU A 33 -12.270 -10.447 12.460 1.00 0.00 C ATOM 537 OE1 GLU A 33 -11.140 -10.730 12.005 1.00 0.00 O ATOM 538 OE2 GLU A 33 -12.562 -10.601 13.665 1.00 0.00 O ATOM 0 H GLU A 33 -12.844 -6.225 10.058 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.993 -8.731 9.147 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -12.008 -8.441 10.703 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.119 -7.830 11.914 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.299 -9.951 11.996 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.383 -10.569 10.636 1.00 0.00 H new ATOM 545 N TYR A 34 -15.642 -6.671 11.098 1.00 0.00 N ATOM 546 CA TYR A 34 -16.951 -6.359 11.654 1.00 0.00 C ATOM 547 C TYR A 34 -18.003 -6.327 10.546 1.00 0.00 C ATOM 548 O TYR A 34 -19.122 -6.807 10.720 1.00 0.00 O ATOM 549 CB TYR A 34 -16.901 -5.011 12.379 1.00 0.00 C ATOM 550 CG TYR A 34 -17.954 -4.850 13.451 1.00 0.00 C ATOM 551 CD1 TYR A 34 -17.756 -5.382 14.719 1.00 0.00 C ATOM 552 CD2 TYR A 34 -19.137 -4.163 13.206 1.00 0.00 C ATOM 553 CE1 TYR A 34 -18.705 -5.236 15.712 1.00 0.00 C ATOM 554 CE2 TYR A 34 -20.091 -4.009 14.196 1.00 0.00 C ATOM 555 CZ TYR A 34 -19.869 -4.549 15.448 1.00 0.00 C ATOM 556 OH TYR A 34 -20.812 -4.398 16.440 1.00 0.00 O ATOM 0 H TYR A 34 -14.945 -5.939 11.234 1.00 0.00 H new ATOM 0 HA TYR A 34 -17.226 -7.134 12.369 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -15.916 -4.889 12.830 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -17.017 -4.212 11.647 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -16.844 -5.919 14.932 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -19.314 -3.743 12.227 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -18.535 -5.659 16.691 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -21.004 -3.470 13.991 1.00 0.00 H new ATOM 0 HH TYR A 34 -21.574 -3.888 16.093 1.00 0.00 H new ATOM 566 N LEU A 35 -17.627 -5.774 9.401 1.00 0.00 N ATOM 567 CA LEU A 35 -18.525 -5.708 8.257 1.00 0.00 C ATOM 568 C LEU A 35 -18.464 -6.998 7.449 1.00 0.00 C ATOM 569 O LEU A 35 -19.370 -7.296 6.678 1.00 0.00 O ATOM 570 CB LEU A 35 -18.187 -4.509 7.372 1.00 0.00 C ATOM 571 CG LEU A 35 -18.339 -3.147 8.049 1.00 0.00 C ATOM 572 CD1 LEU A 35 -17.971 -2.027 7.089 1.00 0.00 C ATOM 573 CD2 LEU A 35 -19.759 -2.966 8.567 1.00 0.00 C ATOM 0 H LEU A 35 -16.707 -5.365 9.240 1.00 0.00 H new ATOM 0 HA LEU A 35 -19.541 -5.584 8.632 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -17.160 -4.612 7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -18.828 -4.534 6.491 1.00 0.00 H new ATOM 0 HG LEU A 35 -17.656 -3.106 8.897 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -18.086 -1.066 7.590 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -16.936 -2.148 6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -18.627 -2.063 6.219 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -19.850 -1.991 9.046 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -20.460 -3.028 7.735 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -19.985 -3.749 9.291 1.00 0.00 H new ATOM 585 N ASN A 36 -17.396 -7.766 7.635 1.00 0.00 N ATOM 586 CA ASN A 36 -17.275 -9.075 6.998 1.00 0.00 C ATOM 587 C ASN A 36 -18.391 -9.987 7.482 1.00 0.00 C ATOM 588 O ASN A 36 -18.883 -10.843 6.746 1.00 0.00 O ATOM 589 CB ASN A 36 -15.904 -9.697 7.300 1.00 0.00 C ATOM 590 CG ASN A 36 -15.709 -11.068 6.669 1.00 0.00 C ATOM 591 OD1 ASN A 36 -15.334 -11.180 5.502 1.00 0.00 O ATOM 592 ND2 ASN A 36 -15.930 -12.122 7.441 1.00 0.00 N ATOM 0 H ASN A 36 -16.602 -7.506 8.220 1.00 0.00 H new ATOM 0 HA ASN A 36 -17.361 -8.951 5.918 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -15.123 -9.026 6.942 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -15.782 -9.782 8.380 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -15.790 -13.063 7.072 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -16.240 -11.993 8.404 1.00 0.00 H new ATOM 599 N GLU A 37 -18.796 -9.788 8.731 1.00 0.00 N ATOM 600 CA GLU A 37 -19.903 -10.550 9.297 1.00 0.00 C ATOM 601 C GLU A 37 -21.259 -9.914 8.974 1.00 0.00 C ATOM 602 O GLU A 37 -22.298 -10.405 9.415 1.00 0.00 O ATOM 603 CB GLU A 37 -19.743 -10.688 10.812 1.00 0.00 C ATOM 604 CG GLU A 37 -18.407 -11.275 11.231 1.00 0.00 C ATOM 605 CD GLU A 37 -17.996 -12.466 10.389 1.00 0.00 C ATOM 606 OE1 GLU A 37 -18.843 -13.348 10.134 1.00 0.00 O ATOM 607 OE2 GLU A 37 -16.819 -12.525 9.985 1.00 0.00 O ATOM 0 H GLU A 37 -18.378 -9.110 9.368 1.00 0.00 H new ATOM 0 HA GLU A 37 -19.878 -11.539 8.840 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -19.860 -9.707 11.272 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -20.544 -11.318 11.198 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -17.639 -10.504 11.161 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -18.461 -11.577 12.277 1.00 0.00 H new ATOM 614 N ASN A 38 -21.256 -8.835 8.199 1.00 0.00 N ATOM 615 CA ASN A 38 -22.495 -8.146 7.841 1.00 0.00 C ATOM 616 C ASN A 38 -22.558 -7.891 6.336 1.00 0.00 C ATOM 617 O ASN A 38 -22.048 -6.885 5.841 1.00 0.00 O ATOM 618 CB ASN A 38 -22.632 -6.832 8.620 1.00 0.00 C ATOM 619 CG ASN A 38 -22.942 -7.059 10.091 1.00 0.00 C ATOM 620 OD1 ASN A 38 -24.100 -7.221 10.474 1.00 0.00 O ATOM 621 ND2 ASN A 38 -21.913 -7.066 10.927 1.00 0.00 N ATOM 0 H ASN A 38 -20.412 -8.418 7.806 1.00 0.00 H new ATOM 0 HA ASN A 38 -23.331 -8.790 8.112 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -21.707 -6.262 8.530 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -23.423 -6.229 8.174 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -22.068 -7.209 11.925 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -20.967 -6.928 10.572 1.00 0.00 H new ATOM 628 N PRO A 39 -23.211 -8.796 5.589 1.00 0.00 N ATOM 629 CA PRO A 39 -23.169 -8.816 4.123 1.00 0.00 C ATOM 630 C PRO A 39 -24.070 -7.778 3.444 1.00 0.00 C ATOM 631 O PRO A 39 -24.614 -8.036 2.368 1.00 0.00 O ATOM 632 CB PRO A 39 -23.652 -10.234 3.764 1.00 0.00 C ATOM 633 CG PRO A 39 -23.887 -10.943 5.061 1.00 0.00 C ATOM 634 CD PRO A 39 -24.042 -9.885 6.109 1.00 0.00 C ATOM 0 HA PRO A 39 -22.166 -8.568 3.774 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -24.566 -10.194 3.172 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -22.907 -10.758 3.165 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -24.780 -11.566 5.005 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -23.052 -11.603 5.298 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -25.082 -9.581 6.227 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -23.697 -10.227 7.085 1.00 0.00 H new ATOM 642 N TYR A 40 -24.227 -6.605 4.044 1.00 0.00 N ATOM 643 CA TYR A 40 -24.939 -5.523 3.374 1.00 0.00 C ATOM 644 C TYR A 40 -23.986 -4.386 3.037 1.00 0.00 C ATOM 645 O TYR A 40 -24.394 -3.307 2.595 1.00 0.00 O ATOM 646 CB TYR A 40 -26.158 -5.034 4.172 1.00 0.00 C ATOM 647 CG TYR A 40 -25.961 -4.848 5.662 1.00 0.00 C ATOM 648 CD1 TYR A 40 -26.037 -5.929 6.531 1.00 0.00 C ATOM 649 CD2 TYR A 40 -25.757 -3.585 6.201 1.00 0.00 C ATOM 650 CE1 TYR A 40 -25.915 -5.756 7.895 1.00 0.00 C ATOM 651 CE2 TYR A 40 -25.622 -3.407 7.565 1.00 0.00 C ATOM 652 CZ TYR A 40 -25.705 -4.494 8.406 1.00 0.00 C ATOM 653 OH TYR A 40 -25.606 -4.313 9.766 1.00 0.00 O ATOM 0 H TYR A 40 -23.879 -6.380 4.976 1.00 0.00 H new ATOM 0 HA TYR A 40 -25.335 -5.922 2.440 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -26.483 -4.083 3.750 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -26.971 -5.744 4.022 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -26.194 -6.921 6.133 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -25.703 -2.729 5.545 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -25.984 -6.606 8.558 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -25.452 -2.420 7.969 1.00 0.00 H new ATOM 0 HH TYR A 40 -25.672 -3.358 9.975 1.00 0.00 H new ATOM 663 N PHE A 41 -22.704 -4.653 3.232 1.00 0.00 N ATOM 664 CA PHE A 41 -21.648 -3.790 2.741 1.00 0.00 C ATOM 665 C PHE A 41 -20.852 -4.554 1.697 1.00 0.00 C ATOM 666 O PHE A 41 -20.734 -5.776 1.787 1.00 0.00 O ATOM 667 CB PHE A 41 -20.701 -3.369 3.874 1.00 0.00 C ATOM 668 CG PHE A 41 -21.285 -2.402 4.864 1.00 0.00 C ATOM 669 CD1 PHE A 41 -22.143 -2.836 5.863 1.00 0.00 C ATOM 670 CD2 PHE A 41 -20.958 -1.056 4.805 1.00 0.00 C ATOM 671 CE1 PHE A 41 -22.665 -1.944 6.780 1.00 0.00 C ATOM 672 CE2 PHE A 41 -21.476 -0.163 5.722 1.00 0.00 C ATOM 673 CZ PHE A 41 -22.330 -0.607 6.712 1.00 0.00 C ATOM 0 H PHE A 41 -22.369 -5.475 3.735 1.00 0.00 H new ATOM 0 HA PHE A 41 -22.097 -2.892 2.317 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -20.379 -4.263 4.409 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -19.809 -2.922 3.435 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -22.406 -3.882 5.925 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -20.291 -0.702 4.033 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -23.336 -2.293 7.551 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -21.213 0.883 5.665 1.00 0.00 H new ATOM 0 HZ PHE A 41 -22.735 0.090 7.431 1.00 0.00 H new ATOM 683 N ILE A 42 -20.318 -3.861 0.706 1.00 0.00 N ATOM 684 CA ILE A 42 -19.383 -4.502 -0.198 1.00 0.00 C ATOM 685 C ILE A 42 -17.958 -4.193 0.250 1.00 0.00 C ATOM 686 O ILE A 42 -17.573 -3.033 0.422 1.00 0.00 O ATOM 687 CB ILE A 42 -19.591 -4.092 -1.683 1.00 0.00 C ATOM 688 CG1 ILE A 42 -18.776 -5.005 -2.605 1.00 0.00 C ATOM 689 CG2 ILE A 42 -19.219 -2.635 -1.923 1.00 0.00 C ATOM 690 CD1 ILE A 42 -19.220 -6.450 -2.567 1.00 0.00 C ATOM 0 H ILE A 42 -20.510 -2.879 0.510 1.00 0.00 H new ATOM 0 HA ILE A 42 -19.567 -5.575 -0.153 1.00 0.00 H new ATOM 0 HB ILE A 42 -20.651 -4.205 -1.911 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -18.852 -4.636 -3.628 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -17.725 -4.948 -2.323 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -19.378 -2.387 -2.972 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -19.842 -1.993 -1.300 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -18.170 -2.481 -1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -18.600 -7.039 -3.243 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -19.118 -6.835 -1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -20.262 -6.519 -2.878 1.00 0.00 H new ATOM 702 N LEU A 43 -17.206 -5.246 0.500 1.00 0.00 N ATOM 703 CA LEU A 43 -15.841 -5.122 0.975 1.00 0.00 C ATOM 704 C LEU A 43 -14.875 -5.432 -0.149 1.00 0.00 C ATOM 705 O LEU A 43 -14.839 -6.554 -0.659 1.00 0.00 O ATOM 706 CB LEU A 43 -15.617 -6.067 2.154 1.00 0.00 C ATOM 707 CG LEU A 43 -16.449 -5.745 3.395 1.00 0.00 C ATOM 708 CD1 LEU A 43 -16.562 -6.962 4.293 1.00 0.00 C ATOM 709 CD2 LEU A 43 -15.834 -4.580 4.157 1.00 0.00 C ATOM 0 H LEU A 43 -17.521 -6.209 0.380 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.665 -4.100 1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -15.843 -7.084 1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -14.561 -6.045 2.425 1.00 0.00 H new ATOM 0 HG LEU A 43 -17.451 -5.461 3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.158 -6.712 5.171 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -17.043 -7.774 3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -15.567 -7.276 4.607 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -16.438 -4.362 5.038 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.822 -4.841 4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -15.801 -3.701 3.513 1.00 0.00 H new ATOM 721 N THR A 44 -14.118 -4.437 -0.555 1.00 0.00 N ATOM 722 CA THR A 44 -13.178 -4.602 -1.642 1.00 0.00 C ATOM 723 C THR A 44 -11.785 -4.158 -1.215 1.00 0.00 C ATOM 724 O THR A 44 -11.588 -3.036 -0.750 1.00 0.00 O ATOM 725 CB THR A 44 -13.635 -3.810 -2.883 1.00 0.00 C ATOM 726 OG1 THR A 44 -14.983 -4.176 -3.212 1.00 0.00 O ATOM 727 CG2 THR A 44 -12.731 -4.080 -4.078 1.00 0.00 C ATOM 0 H THR A 44 -14.135 -3.502 -0.147 1.00 0.00 H new ATOM 0 HA THR A 44 -13.141 -5.660 -1.903 1.00 0.00 H new ATOM 0 HB THR A 44 -13.580 -2.747 -2.648 1.00 0.00 H new ATOM 0 HG1 THR A 44 -15.276 -3.672 -4.000 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.081 -3.506 -4.936 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.710 -3.785 -3.836 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.754 -5.143 -4.319 1.00 0.00 H new ATOM 877 N PRO A 54 -14.500 10.320 -7.212 1.00 0.00 N ATOM 878 CA PRO A 54 -14.937 10.264 -8.602 1.00 0.00 C ATOM 879 C PRO A 54 -15.820 11.456 -8.973 1.00 0.00 C ATOM 880 O PRO A 54 -16.412 12.088 -8.097 1.00 0.00 O ATOM 881 CB PRO A 54 -15.745 8.956 -8.686 1.00 0.00 C ATOM 882 CG PRO A 54 -15.671 8.330 -7.326 1.00 0.00 C ATOM 883 CD PRO A 54 -15.300 9.428 -6.371 1.00 0.00 C ATOM 0 HA PRO A 54 -14.094 10.297 -9.292 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -16.779 9.155 -8.967 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -15.331 8.291 -9.444 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -16.627 7.884 -7.052 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.929 7.532 -7.306 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -16.180 9.930 -5.968 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -14.730 9.052 -5.521 1.00 0.00 H new ATOM 891 N ILE A 55 -15.878 11.745 -10.279 1.00 0.00 N ATOM 892 CA ILE A 55 -16.707 12.820 -10.857 1.00 0.00 C ATOM 893 C ILE A 55 -16.430 14.185 -10.199 1.00 0.00 C ATOM 894 O ILE A 55 -17.259 15.094 -10.230 1.00 0.00 O ATOM 895 CB ILE A 55 -18.229 12.467 -10.831 1.00 0.00 C ATOM 896 CG1 ILE A 55 -18.975 13.247 -11.914 1.00 0.00 C ATOM 897 CG2 ILE A 55 -18.873 12.732 -9.474 1.00 0.00 C ATOM 898 CD1 ILE A 55 -18.570 12.866 -13.320 1.00 0.00 C ATOM 0 H ILE A 55 -15.342 11.232 -10.979 1.00 0.00 H new ATOM 0 HA ILE A 55 -16.416 12.906 -11.904 1.00 0.00 H new ATOM 0 HB ILE A 55 -18.304 11.397 -11.025 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -20.046 13.083 -11.796 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -18.798 14.313 -11.770 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -19.930 12.469 -9.515 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -18.378 12.129 -8.713 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -18.772 13.788 -9.223 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -19.139 13.459 -14.036 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -17.505 13.057 -13.456 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -18.773 11.808 -13.483 1.00 0.00 H new ATOM 910 N ASN A 56 -15.226 14.334 -9.672 1.00 0.00 N ATOM 911 CA ASN A 56 -14.824 15.562 -8.996 1.00 0.00 C ATOM 912 C ASN A 56 -13.330 15.798 -9.181 1.00 0.00 C ATOM 913 O ASN A 56 -12.515 15.336 -8.384 1.00 0.00 O ATOM 914 CB ASN A 56 -15.170 15.493 -7.503 1.00 0.00 C ATOM 915 CG ASN A 56 -14.795 16.760 -6.755 1.00 0.00 C ATOM 916 OD1 ASN A 56 -14.809 17.855 -7.312 1.00 0.00 O ATOM 917 ND2 ASN A 56 -14.456 16.618 -5.481 1.00 0.00 N ATOM 0 H ASN A 56 -14.503 13.615 -9.699 1.00 0.00 H new ATOM 0 HA ASN A 56 -15.370 16.396 -9.438 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -16.239 15.312 -7.390 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.654 14.645 -7.054 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -14.195 17.435 -4.929 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -14.456 15.692 -5.053 1.00 0.00 H new ATOM 924 N TYR A 57 -12.976 16.480 -10.263 1.00 0.00 N ATOM 925 CA TYR A 57 -11.579 16.755 -10.577 1.00 0.00 C ATOM 926 C TYR A 57 -11.446 18.147 -11.176 1.00 0.00 C ATOM 927 O TYR A 57 -12.389 18.657 -11.781 1.00 0.00 O ATOM 928 CB TYR A 57 -11.030 15.728 -11.577 1.00 0.00 C ATOM 929 CG TYR A 57 -11.241 14.289 -11.163 1.00 0.00 C ATOM 930 CD1 TYR A 57 -10.365 13.658 -10.289 1.00 0.00 C ATOM 931 CD2 TYR A 57 -12.323 13.563 -11.648 1.00 0.00 C ATOM 932 CE1 TYR A 57 -10.565 12.346 -9.904 1.00 0.00 C ATOM 933 CE2 TYR A 57 -12.529 12.253 -11.269 1.00 0.00 C ATOM 934 CZ TYR A 57 -11.648 11.648 -10.399 1.00 0.00 C ATOM 935 OH TYR A 57 -11.856 10.342 -10.018 1.00 0.00 O ATOM 0 H TYR A 57 -13.640 16.854 -10.941 1.00 0.00 H new ATOM 0 HA TYR A 57 -11.007 16.691 -9.651 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -11.505 15.890 -12.545 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -9.963 15.903 -11.712 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -9.514 14.201 -9.904 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -13.014 14.033 -12.333 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -9.878 11.870 -9.220 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -13.377 11.704 -11.652 1.00 0.00 H new ATOM 0 HH TYR A 57 -11.506 10.206 -9.113 1.00 0.00 H new ATOM 945 N THR A 58 -10.281 18.756 -10.999 1.00 0.00 N ATOM 946 CA THR A 58 -9.987 20.041 -11.609 1.00 0.00 C ATOM 947 C THR A 58 -10.092 19.946 -13.120 1.00 0.00 C ATOM 948 O THR A 58 -9.554 19.023 -13.728 1.00 0.00 O ATOM 949 CB THR A 58 -8.589 20.526 -11.193 1.00 0.00 C ATOM 950 OG1 THR A 58 -8.327 20.121 -9.841 1.00 0.00 O ATOM 951 CG2 THR A 58 -8.498 22.039 -11.288 1.00 0.00 C ATOM 0 H THR A 58 -9.522 18.376 -10.434 1.00 0.00 H new ATOM 0 HA THR A 58 -10.720 20.767 -11.258 1.00 0.00 H new ATOM 0 HB THR A 58 -7.852 20.086 -11.865 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.435 20.428 -9.575 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.501 22.363 -10.989 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.689 22.351 -12.315 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.239 22.490 -10.628 1.00 0.00 H new ATOM 959 N GLU A 59 -10.815 20.883 -13.724 1.00 0.00 N ATOM 960 CA GLU A 59 -11.007 20.863 -15.165 1.00 0.00 C ATOM 961 C GLU A 59 -9.673 21.000 -15.871 1.00 0.00 C ATOM 962 O GLU A 59 -9.454 20.386 -16.908 1.00 0.00 O ATOM 963 CB GLU A 59 -11.976 21.956 -15.614 1.00 0.00 C ATOM 964 CG GLU A 59 -11.499 23.372 -15.344 1.00 0.00 C ATOM 965 CD GLU A 59 -12.544 24.414 -15.682 1.00 0.00 C ATOM 966 OE1 GLU A 59 -13.005 24.451 -16.839 1.00 0.00 O ATOM 967 OE2 GLU A 59 -12.899 25.212 -14.786 1.00 0.00 O ATOM 0 H GLU A 59 -11.272 21.657 -13.242 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.449 19.904 -15.436 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.158 21.845 -16.683 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.931 21.806 -15.111 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.226 23.465 -14.293 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.598 23.565 -15.926 1.00 0.00 H new ATOM 974 N SER A 60 -8.772 21.783 -15.288 1.00 0.00 N ATOM 975 CA SER A 60 -7.427 21.900 -15.807 1.00 0.00 C ATOM 976 C SER A 60 -6.692 20.574 -15.652 1.00 0.00 C ATOM 977 O SER A 60 -5.841 20.234 -16.475 1.00 0.00 O ATOM 978 CB SER A 60 -6.671 23.024 -15.096 1.00 0.00 C ATOM 979 OG SER A 60 -6.690 22.844 -13.691 1.00 0.00 O ATOM 0 H SER A 60 -8.955 22.344 -14.456 1.00 0.00 H new ATOM 0 HA SER A 60 -7.480 22.148 -16.867 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.640 23.052 -15.448 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.120 23.985 -15.349 1.00 0.00 H new ATOM 0 HG SER A 60 -6.199 23.575 -13.261 1.00 0.00 H new ATOM 985 N GLU A 61 -7.042 19.799 -14.615 1.00 0.00 N ATOM 986 CA GLU A 61 -6.426 18.484 -14.449 1.00 0.00 C ATOM 987 C GLU A 61 -6.971 17.528 -15.501 1.00 0.00 C ATOM 988 O GLU A 61 -6.232 16.736 -16.082 1.00 0.00 O ATOM 989 CB GLU A 61 -6.667 17.911 -13.048 1.00 0.00 C ATOM 990 CG GLU A 61 -6.073 18.745 -11.923 1.00 0.00 C ATOM 991 CD GLU A 61 -4.590 18.990 -12.084 1.00 0.00 C ATOM 992 OE1 GLU A 61 -3.809 18.019 -12.015 1.00 0.00 O ATOM 993 OE2 GLU A 61 -4.198 20.157 -12.274 1.00 0.00 O ATOM 0 H GLU A 61 -7.726 20.052 -13.902 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.350 18.601 -14.575 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.741 17.815 -12.886 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.247 16.906 -13.001 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.590 19.703 -11.877 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.251 18.241 -10.973 1.00 0.00 H new ATOM 1000 N LEU A 62 -8.267 17.639 -15.762 1.00 0.00 N ATOM 1001 CA LEU A 62 -8.941 16.785 -16.734 1.00 0.00 C ATOM 1002 C LEU A 62 -8.600 17.194 -18.166 1.00 0.00 C ATOM 1003 O LEU A 62 -8.862 16.448 -19.111 1.00 0.00 O ATOM 1004 CB LEU A 62 -10.456 16.845 -16.515 1.00 0.00 C ATOM 1005 CG LEU A 62 -10.944 16.266 -15.185 1.00 0.00 C ATOM 1006 CD1 LEU A 62 -12.404 16.622 -14.952 1.00 0.00 C ATOM 1007 CD2 LEU A 62 -10.762 14.757 -15.165 1.00 0.00 C ATOM 0 H LEU A 62 -8.878 18.319 -15.310 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.593 15.763 -16.587 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.776 17.885 -16.580 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -10.946 16.310 -17.328 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.348 16.700 -14.382 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -12.734 16.202 -14.002 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -12.515 17.706 -14.928 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -13.011 16.213 -15.760 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.114 14.361 -14.212 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.335 14.311 -15.978 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.706 14.516 -15.291 1.00 0.00 H new ATOM 1019 N LYS A 63 -8.028 18.382 -18.323 1.00 0.00 N ATOM 1020 CA LYS A 63 -7.605 18.866 -19.632 1.00 0.00 C ATOM 1021 C LYS A 63 -6.480 17.998 -20.189 1.00 0.00 C ATOM 1022 O LYS A 63 -6.528 17.566 -21.340 1.00 0.00 O ATOM 1023 CB LYS A 63 -7.154 20.330 -19.546 1.00 0.00 C ATOM 1024 CG LYS A 63 -8.297 21.330 -19.470 1.00 0.00 C ATOM 1025 CD LYS A 63 -9.084 21.398 -20.770 1.00 0.00 C ATOM 1026 CE LYS A 63 -10.239 22.381 -20.663 1.00 0.00 C ATOM 1027 NZ LYS A 63 -10.907 22.616 -21.973 1.00 0.00 N ATOM 0 H LYS A 63 -7.846 19.030 -17.557 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.457 18.804 -20.309 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.520 20.452 -18.668 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.541 20.561 -20.417 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.966 21.054 -18.655 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.899 22.317 -19.235 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.423 21.697 -21.583 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.467 20.408 -21.018 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.970 22.003 -19.948 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.871 23.329 -20.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.607 23.378 -21.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.196 22.889 -22.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.385 21.745 -22.280 1.00 0.00 H new ATOM 1041 N GLY A 64 -5.483 17.724 -19.357 1.00 0.00 N ATOM 1042 CA GLY A 64 -4.354 16.922 -19.788 1.00 0.00 C ATOM 1043 C GLY A 64 -4.512 15.458 -19.429 1.00 0.00 C ATOM 1044 O GLY A 64 -3.642 14.869 -18.784 1.00 0.00 O ATOM 0 H GLY A 64 -5.436 18.044 -18.389 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.235 17.017 -20.867 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.443 17.308 -19.332 1.00 0.00 H new ATOM 1048 N MET A 65 -5.629 14.877 -19.841 1.00 0.00 N ATOM 1049 CA MET A 65 -5.905 13.465 -19.597 1.00 0.00 C ATOM 1050 C MET A 65 -6.514 12.839 -20.843 1.00 0.00 C ATOM 1051 O MET A 65 -7.006 13.551 -21.722 1.00 0.00 O ATOM 1052 CB MET A 65 -6.869 13.286 -18.416 1.00 0.00 C ATOM 1053 CG MET A 65 -6.319 13.767 -17.084 1.00 0.00 C ATOM 1054 SD MET A 65 -7.507 13.580 -15.738 1.00 0.00 S ATOM 1055 CE MET A 65 -7.613 11.797 -15.617 1.00 0.00 C ATOM 0 H MET A 65 -6.366 15.365 -20.350 1.00 0.00 H new ATOM 0 HA MET A 65 -4.964 12.972 -19.354 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.792 13.824 -18.631 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.128 12.231 -18.330 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.414 13.209 -16.845 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.034 14.816 -17.170 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.073 11.523 -14.668 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.218 11.412 -16.438 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.612 11.368 -15.672 1.00 0.00 H new ATOM 1065 N ASN A 66 -6.481 11.520 -20.917 1.00 0.00 N ATOM 1066 CA ASN A 66 -7.091 10.806 -22.030 1.00 0.00 C ATOM 1067 C ASN A 66 -8.508 10.375 -21.653 1.00 0.00 C ATOM 1068 O ASN A 66 -8.901 10.467 -20.485 1.00 0.00 O ATOM 1069 CB ASN A 66 -6.223 9.613 -22.451 1.00 0.00 C ATOM 1070 CG ASN A 66 -5.920 8.672 -21.307 1.00 0.00 C ATOM 1071 OD1 ASN A 66 -4.995 8.905 -20.529 1.00 0.00 O ATOM 1072 ND2 ASN A 66 -6.660 7.585 -21.229 1.00 0.00 N ATOM 0 H ASN A 66 -6.039 10.920 -20.221 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.158 11.471 -22.891 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.731 9.062 -23.243 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.286 9.982 -22.869 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.476 6.894 -20.501 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -7.417 7.434 -21.896 1.00 0.00 H new ATOM 1079 N LYS A 67 -9.285 9.920 -22.631 1.00 0.00 N ATOM 1080 CA LYS A 67 -10.714 9.712 -22.416 1.00 0.00 C ATOM 1081 C LYS A 67 -11.010 8.473 -21.570 1.00 0.00 C ATOM 1082 O LYS A 67 -12.030 8.434 -20.885 1.00 0.00 O ATOM 1083 CB LYS A 67 -11.470 9.628 -23.749 1.00 0.00 C ATOM 1084 CG LYS A 67 -11.249 8.335 -24.516 1.00 0.00 C ATOM 1085 CD LYS A 67 -12.151 8.262 -25.738 1.00 0.00 C ATOM 1086 CE LYS A 67 -12.028 6.924 -26.450 1.00 0.00 C ATOM 1087 NZ LYS A 67 -12.468 5.789 -25.597 1.00 0.00 N ATOM 0 H LYS A 67 -8.956 9.691 -23.569 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.066 10.581 -21.860 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.536 9.744 -23.556 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.167 10.465 -24.378 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.206 8.266 -24.825 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.445 7.484 -23.864 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.186 8.419 -25.436 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.895 9.066 -26.428 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.625 6.944 -27.361 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.992 6.769 -26.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.382 4.900 -26.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.871 5.742 -24.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -13.459 5.930 -25.316 1.00 0.00 H new ATOM 1101 N ALA A 68 -10.118 7.483 -21.611 1.00 0.00 N ATOM 1102 CA ALA A 68 -10.330 6.212 -20.910 1.00 0.00 C ATOM 1103 C ALA A 68 -10.724 6.419 -19.450 1.00 0.00 C ATOM 1104 O ALA A 68 -11.701 5.832 -18.977 1.00 0.00 O ATOM 1105 CB ALA A 68 -9.088 5.340 -21.001 1.00 0.00 C ATOM 0 H ALA A 68 -9.238 7.535 -22.124 1.00 0.00 H new ATOM 0 HA ALA A 68 -11.160 5.707 -21.404 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -9.263 4.401 -20.476 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.864 5.134 -22.048 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.245 5.859 -20.545 1.00 0.00 H new ATOM 1111 N GLU A 69 -9.967 7.250 -18.741 1.00 0.00 N ATOM 1112 CA GLU A 69 -10.277 7.566 -17.354 1.00 0.00 C ATOM 1113 C GLU A 69 -11.677 8.159 -17.236 1.00 0.00 C ATOM 1114 O GLU A 69 -12.488 7.691 -16.445 1.00 0.00 O ATOM 1115 CB GLU A 69 -9.246 8.532 -16.756 1.00 0.00 C ATOM 1116 CG GLU A 69 -7.892 7.897 -16.465 1.00 0.00 C ATOM 1117 CD GLU A 69 -7.010 7.757 -17.691 1.00 0.00 C ATOM 1118 OE1 GLU A 69 -7.265 6.862 -18.520 1.00 0.00 O ATOM 1119 OE2 GLU A 69 -6.041 8.533 -17.813 1.00 0.00 O ATOM 0 H GLU A 69 -9.136 7.716 -19.105 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.239 6.634 -16.790 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.104 9.366 -17.444 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.647 8.947 -15.831 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.371 8.498 -15.720 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.049 6.912 -16.026 1.00 0.00 H new ATOM 1126 N HIS A 70 -11.956 9.183 -18.042 1.00 0.00 N ATOM 1127 CA HIS A 70 -13.275 9.817 -18.069 1.00 0.00 C ATOM 1128 C HIS A 70 -14.383 8.782 -18.208 1.00 0.00 C ATOM 1129 O HIS A 70 -15.428 8.893 -17.569 1.00 0.00 O ATOM 1130 CB HIS A 70 -13.385 10.804 -19.233 1.00 0.00 C ATOM 1131 CG HIS A 70 -12.529 12.021 -19.100 1.00 0.00 C ATOM 1132 ND1 HIS A 70 -12.994 13.207 -18.585 1.00 0.00 N ATOM 1133 CD2 HIS A 70 -11.243 12.244 -19.452 1.00 0.00 C ATOM 1134 CE1 HIS A 70 -12.034 14.106 -18.626 1.00 0.00 C ATOM 1135 NE2 HIS A 70 -10.956 13.552 -19.150 1.00 0.00 N ATOM 0 H HIS A 70 -11.282 9.594 -18.689 1.00 0.00 H new ATOM 0 HA HIS A 70 -13.390 10.348 -17.124 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -13.119 10.288 -20.156 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -14.425 11.116 -19.330 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -10.566 11.525 -19.890 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -12.114 15.128 -18.287 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -10.061 14.017 -19.304 1.00 0.00 H new ATOM 1144 N GLU A 71 -14.145 7.783 -19.043 1.00 0.00 N ATOM 1145 CA GLU A 71 -15.151 6.776 -19.336 1.00 0.00 C ATOM 1146 C GLU A 71 -15.471 5.940 -18.101 1.00 0.00 C ATOM 1147 O GLU A 71 -16.639 5.724 -17.788 1.00 0.00 O ATOM 1148 CB GLU A 71 -14.695 5.890 -20.495 1.00 0.00 C ATOM 1149 CG GLU A 71 -14.435 6.674 -21.774 1.00 0.00 C ATOM 1150 CD GLU A 71 -13.990 5.808 -22.932 1.00 0.00 C ATOM 1151 OE1 GLU A 71 -12.969 5.103 -22.803 1.00 0.00 O ATOM 1152 OE2 GLU A 71 -14.652 5.839 -23.990 1.00 0.00 O ATOM 0 H GLU A 71 -13.260 7.648 -19.531 1.00 0.00 H new ATOM 0 HA GLU A 71 -16.067 7.286 -19.633 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.785 5.363 -20.207 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -15.455 5.133 -20.687 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -15.344 7.205 -22.056 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.672 7.428 -21.580 1.00 0.00 H new ATOM 1159 N SER A 72 -14.445 5.506 -17.382 1.00 0.00 N ATOM 1160 CA SER A 72 -14.652 4.680 -16.200 1.00 0.00 C ATOM 1161 C SER A 72 -15.185 5.517 -15.032 1.00 0.00 C ATOM 1162 O SER A 72 -16.029 5.053 -14.259 1.00 0.00 O ATOM 1163 CB SER A 72 -13.353 3.966 -15.817 1.00 0.00 C ATOM 1164 OG SER A 72 -12.279 4.879 -15.687 1.00 0.00 O ATOM 0 H SER A 72 -13.468 5.710 -17.594 1.00 0.00 H new ATOM 0 HA SER A 72 -15.402 3.925 -16.435 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.494 3.432 -14.877 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.109 3.221 -16.574 1.00 0.00 H new ATOM 0 HG SER A 72 -12.593 5.784 -15.892 1.00 0.00 H new ATOM 1170 N ILE A 73 -14.701 6.754 -14.923 1.00 0.00 N ATOM 1171 CA ILE A 73 -15.156 7.681 -13.887 1.00 0.00 C ATOM 1172 C ILE A 73 -16.675 7.852 -13.928 1.00 0.00 C ATOM 1173 O ILE A 73 -17.383 7.542 -12.962 1.00 0.00 O ATOM 1174 CB ILE A 73 -14.499 9.078 -14.040 1.00 0.00 C ATOM 1175 CG1 ILE A 73 -12.981 8.999 -13.843 1.00 0.00 C ATOM 1176 CG2 ILE A 73 -15.104 10.067 -13.053 1.00 0.00 C ATOM 1177 CD1 ILE A 73 -12.261 10.297 -14.154 1.00 0.00 C ATOM 0 H ILE A 73 -13.989 7.139 -15.544 1.00 0.00 H new ATOM 0 HA ILE A 73 -14.860 7.247 -12.932 1.00 0.00 H new ATOM 0 HB ILE A 73 -14.695 9.428 -15.053 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -12.771 8.715 -12.812 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -12.581 8.210 -14.479 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -14.630 11.041 -13.176 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -16.174 10.158 -13.239 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -14.942 9.711 -12.036 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -11.191 10.167 -13.993 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -12.440 10.573 -15.193 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -12.633 11.085 -13.500 1.00 0.00 H new ATOM 1189 N ILE A 74 -17.177 8.322 -15.058 1.00 0.00 N ATOM 1190 CA ILE A 74 -18.584 8.662 -15.167 1.00 0.00 C ATOM 1191 C ILE A 74 -19.437 7.401 -15.313 1.00 0.00 C ATOM 1192 O ILE A 74 -20.629 7.408 -15.005 1.00 0.00 O ATOM 1193 CB ILE A 74 -18.850 9.623 -16.344 1.00 0.00 C ATOM 1194 CG1 ILE A 74 -17.711 10.640 -16.476 1.00 0.00 C ATOM 1195 CG2 ILE A 74 -20.165 10.354 -16.120 1.00 0.00 C ATOM 1196 CD1 ILE A 74 -17.866 11.579 -17.655 1.00 0.00 C ATOM 0 H ILE A 74 -16.634 8.476 -15.908 1.00 0.00 H new ATOM 0 HA ILE A 74 -18.865 9.174 -14.247 1.00 0.00 H new ATOM 0 HB ILE A 74 -18.907 9.041 -17.264 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -17.653 11.228 -15.560 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -16.767 10.104 -16.571 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -20.351 11.032 -16.953 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -20.977 9.630 -16.054 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -20.111 10.924 -15.193 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -17.023 12.269 -17.684 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -17.893 11.001 -18.579 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -18.793 12.143 -17.552 1.00 0.00 H new ATOM 1208 N SER A 75 -18.818 6.308 -15.757 1.00 0.00 N ATOM 1209 CA SER A 75 -19.510 5.025 -15.838 1.00 0.00 C ATOM 1210 C SER A 75 -19.893 4.561 -14.436 1.00 0.00 C ATOM 1211 O SER A 75 -20.931 3.928 -14.241 1.00 0.00 O ATOM 1212 CB SER A 75 -18.631 3.973 -16.525 1.00 0.00 C ATOM 1213 OG SER A 75 -19.355 2.782 -16.794 1.00 0.00 O ATOM 0 H SER A 75 -17.846 6.286 -16.064 1.00 0.00 H new ATOM 0 HA SER A 75 -20.413 5.151 -16.435 1.00 0.00 H new ATOM 0 HB2 SER A 75 -18.238 4.379 -17.457 1.00 0.00 H new ATOM 0 HB3 SER A 75 -17.774 3.744 -15.891 1.00 0.00 H new ATOM 0 HG SER A 75 -18.766 2.133 -17.233 1.00 0.00 H new ATOM 1219 N ASN A 76 -19.048 4.890 -13.464 1.00 0.00 N ATOM 1220 CA ASN A 76 -19.347 4.606 -12.068 1.00 0.00 C ATOM 1221 C ASN A 76 -20.427 5.548 -11.561 1.00 0.00 C ATOM 1222 O ASN A 76 -21.289 5.150 -10.776 1.00 0.00 O ATOM 1223 CB ASN A 76 -18.096 4.721 -11.195 1.00 0.00 C ATOM 1224 CG ASN A 76 -17.275 3.446 -11.177 1.00 0.00 C ATOM 1225 OD1 ASN A 76 -17.495 2.569 -10.343 1.00 0.00 O ATOM 1226 ND2 ASN A 76 -16.321 3.331 -12.090 1.00 0.00 N ATOM 0 H ASN A 76 -18.152 5.353 -13.619 1.00 0.00 H new ATOM 0 HA ASN A 76 -19.708 3.579 -12.005 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -17.478 5.541 -11.560 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -18.391 4.973 -10.176 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -15.739 2.494 -12.117 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -16.169 4.080 -12.765 1.00 0.00 H new ATOM 1233 N LEU A 77 -20.377 6.801 -12.014 1.00 0.00 N ATOM 1234 CA LEU A 77 -21.420 7.770 -11.683 1.00 0.00 C ATOM 1235 C LEU A 77 -22.783 7.274 -12.168 1.00 0.00 C ATOM 1236 O LEU A 77 -23.791 7.431 -11.482 1.00 0.00 O ATOM 1237 CB LEU A 77 -21.118 9.134 -12.316 1.00 0.00 C ATOM 1238 CG LEU A 77 -22.157 10.223 -12.029 1.00 0.00 C ATOM 1239 CD1 LEU A 77 -22.120 10.626 -10.565 1.00 0.00 C ATOM 1240 CD2 LEU A 77 -21.929 11.430 -12.922 1.00 0.00 C ATOM 0 H LEU A 77 -19.631 7.166 -12.607 1.00 0.00 H new ATOM 0 HA LEU A 77 -21.442 7.881 -10.599 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -20.146 9.476 -11.960 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -21.035 9.007 -13.395 1.00 0.00 H new ATOM 0 HG LEU A 77 -23.145 9.818 -12.247 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -22.865 11.400 -10.382 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -22.338 9.758 -9.943 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -21.130 11.010 -10.318 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -22.677 12.192 -12.702 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -20.934 11.835 -12.739 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -22.012 11.131 -13.967 1.00 0.00 H new ATOM 1252 N GLY A 78 -22.801 6.650 -13.340 1.00 0.00 N ATOM 1253 CA GLY A 78 -24.034 6.103 -13.868 1.00 0.00 C ATOM 1254 C GLY A 78 -24.097 6.183 -15.379 1.00 0.00 C ATOM 1255 O GLY A 78 -24.495 5.226 -16.045 1.00 0.00 O ATOM 0 H GLY A 78 -21.983 6.514 -13.933 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -24.130 5.063 -13.557 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -24.880 6.642 -13.442 1.00 0.00 H new ATOM 1259 N ARG A 79 -23.698 7.322 -15.923 1.00 0.00 N ATOM 1260 CA ARG A 79 -23.729 7.529 -17.364 1.00 0.00 C ATOM 1261 C ARG A 79 -22.341 7.358 -17.967 1.00 0.00 C ATOM 1262 O ARG A 79 -21.469 8.201 -17.784 1.00 0.00 O ATOM 1263 CB ARG A 79 -24.275 8.922 -17.710 1.00 0.00 C ATOM 1264 CG ARG A 79 -24.148 9.270 -19.187 1.00 0.00 C ATOM 1265 CD ARG A 79 -24.711 10.646 -19.505 1.00 0.00 C ATOM 1266 NE ARG A 79 -26.142 10.743 -19.218 1.00 0.00 N ATOM 1267 CZ ARG A 79 -27.003 11.447 -19.951 1.00 0.00 C ATOM 1268 NH1 ARG A 79 -26.596 12.076 -21.047 1.00 0.00 N ATOM 1269 NH2 ARG A 79 -28.279 11.496 -19.593 1.00 0.00 N ATOM 0 H ARG A 79 -23.349 8.118 -15.389 1.00 0.00 H new ATOM 0 HA ARG A 79 -24.394 6.777 -17.788 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -25.324 8.975 -17.420 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -23.743 9.669 -17.121 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -23.098 9.233 -19.478 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -24.670 8.520 -19.781 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -24.175 11.398 -18.925 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -24.538 10.872 -20.557 1.00 0.00 H new ATOM 0 HE ARG A 79 -26.503 10.241 -18.407 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -25.618 12.022 -21.333 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -27.261 12.613 -21.603 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -28.595 10.997 -18.762 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -28.944 12.033 -20.149 1.00 0.00 H new ATOM 1283 N ASN A 80 -22.136 6.258 -18.672 1.00 0.00 N ATOM 1284 CA ASN A 80 -20.898 6.060 -19.412 1.00 0.00 C ATOM 1285 C ASN A 80 -20.865 7.024 -20.591 1.00 0.00 C ATOM 1286 O ASN A 80 -21.797 7.065 -21.395 1.00 0.00 O ATOM 1287 CB ASN A 80 -20.771 4.604 -19.876 1.00 0.00 C ATOM 1288 CG ASN A 80 -21.962 4.131 -20.689 1.00 0.00 C ATOM 1289 OD1 ASN A 80 -23.010 3.801 -20.135 1.00 0.00 O ATOM 1290 ND2 ASN A 80 -21.801 4.053 -22.001 1.00 0.00 N ATOM 0 H ASN A 80 -22.805 5.492 -18.748 1.00 0.00 H new ATOM 0 HA ASN A 80 -20.047 6.266 -18.763 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -19.866 4.497 -20.474 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -20.655 3.960 -19.004 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -22.561 3.710 -22.589 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -20.917 4.336 -22.424 1.00 0.00 H new ATOM 1297 N PRO A 81 -19.805 7.842 -20.684 1.00 0.00 N ATOM 1298 CA PRO A 81 -19.724 8.919 -21.672 1.00 0.00 C ATOM 1299 C PRO A 81 -19.582 8.431 -23.115 1.00 0.00 C ATOM 1300 O PRO A 81 -18.504 8.503 -23.711 1.00 0.00 O ATOM 1301 CB PRO A 81 -18.484 9.710 -21.242 1.00 0.00 C ATOM 1302 CG PRO A 81 -17.655 8.742 -20.478 1.00 0.00 C ATOM 1303 CD PRO A 81 -18.615 7.791 -19.818 1.00 0.00 C ATOM 0 HA PRO A 81 -20.644 9.504 -21.685 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -17.943 10.097 -22.106 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -18.757 10.567 -20.627 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -16.972 8.208 -21.139 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -17.044 9.255 -19.735 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -18.204 6.783 -19.760 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -18.848 8.099 -18.799 1.00 0.00 H new ATOM 1311 N SER A 82 -20.678 7.921 -23.658 1.00 0.00 N ATOM 1312 CA SER A 82 -20.746 7.565 -25.065 1.00 0.00 C ATOM 1313 C SER A 82 -21.549 8.625 -25.814 1.00 0.00 C ATOM 1314 O SER A 82 -21.429 8.771 -27.031 1.00 0.00 O ATOM 1315 CB SER A 82 -21.381 6.180 -25.237 1.00 0.00 C ATOM 1316 OG SER A 82 -21.362 5.765 -26.597 1.00 0.00 O ATOM 0 H SER A 82 -21.538 7.744 -23.139 1.00 0.00 H new ATOM 0 HA SER A 82 -19.738 7.524 -25.477 1.00 0.00 H new ATOM 0 HB2 SER A 82 -20.845 5.454 -24.626 1.00 0.00 H new ATOM 0 HB3 SER A 82 -22.409 6.202 -24.876 1.00 0.00 H new ATOM 0 HG SER A 82 -21.772 4.878 -26.674 1.00 0.00 H new ATOM 1322 N ASP A 83 -22.364 9.372 -25.069 1.00 0.00 N ATOM 1323 CA ASP A 83 -23.127 10.482 -25.633 1.00 0.00 C ATOM 1324 C ASP A 83 -22.301 11.762 -25.592 1.00 0.00 C ATOM 1325 O ASP A 83 -22.797 12.855 -25.870 1.00 0.00 O ATOM 1326 CB ASP A 83 -24.453 10.671 -24.883 1.00 0.00 C ATOM 1327 CG ASP A 83 -24.271 10.854 -23.387 1.00 0.00 C ATOM 1328 OD1 ASP A 83 -23.937 9.863 -22.708 1.00 0.00 O ATOM 1329 OD2 ASP A 83 -24.497 11.973 -22.884 1.00 0.00 O ATOM 0 H ASP A 83 -22.512 9.227 -24.070 1.00 0.00 H new ATOM 0 HA ASP A 83 -23.358 10.248 -26.672 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -24.972 11.539 -25.289 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -25.091 9.806 -25.062 1.00 0.00 H new ATOM 1334 N PHE A 84 -21.033 11.607 -25.243 1.00 0.00 N ATOM 1335 CA PHE A 84 -20.075 12.698 -25.280 1.00 0.00 C ATOM 1336 C PHE A 84 -18.967 12.330 -26.251 1.00 0.00 C ATOM 1337 O PHE A 84 -18.328 11.289 -26.098 1.00 0.00 O ATOM 1338 CB PHE A 84 -19.493 12.960 -23.888 1.00 0.00 C ATOM 1339 CG PHE A 84 -20.539 13.198 -22.837 1.00 0.00 C ATOM 1340 CD1 PHE A 84 -21.247 14.387 -22.794 1.00 0.00 C ATOM 1341 CD2 PHE A 84 -20.820 12.225 -21.896 1.00 0.00 C ATOM 1342 CE1 PHE A 84 -22.215 14.599 -21.831 1.00 0.00 C ATOM 1343 CE2 PHE A 84 -21.785 12.429 -20.932 1.00 0.00 C ATOM 1344 CZ PHE A 84 -22.484 13.618 -20.900 1.00 0.00 C ATOM 0 H PHE A 84 -20.640 10.720 -24.926 1.00 0.00 H new ATOM 0 HA PHE A 84 -20.574 13.610 -25.607 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -18.880 12.108 -23.593 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -18.833 13.826 -23.936 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -21.040 15.158 -23.522 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -20.276 11.292 -21.916 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -22.760 15.531 -21.808 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -21.993 11.659 -20.203 1.00 0.00 H new ATOM 0 HZ PHE A 84 -23.241 13.780 -20.147 1.00 0.00 H new ATOM 1354 N LYS A 85 -18.749 13.161 -27.252 1.00 0.00 N ATOM 1355 CA LYS A 85 -17.818 12.822 -28.311 1.00 0.00 C ATOM 1356 C LYS A 85 -16.400 13.238 -27.938 1.00 0.00 C ATOM 1357 O LYS A 85 -15.501 12.399 -27.853 1.00 0.00 O ATOM 1358 CB LYS A 85 -18.249 13.479 -29.625 1.00 0.00 C ATOM 1359 CG LYS A 85 -17.526 12.936 -30.847 1.00 0.00 C ATOM 1360 CD LYS A 85 -17.683 11.427 -30.961 1.00 0.00 C ATOM 1361 CE LYS A 85 -17.229 10.911 -32.319 1.00 0.00 C ATOM 1362 NZ LYS A 85 -15.835 11.313 -32.641 1.00 0.00 N ATOM 0 H LYS A 85 -19.200 14.070 -27.354 1.00 0.00 H new ATOM 0 HA LYS A 85 -17.826 11.740 -28.446 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -19.322 13.338 -29.756 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -18.074 14.553 -29.558 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -17.918 13.413 -31.745 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -16.468 13.190 -30.788 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -17.104 10.941 -30.176 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -18.727 11.157 -30.800 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -17.303 9.824 -32.335 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -17.900 11.288 -33.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -15.514 10.803 -33.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -15.802 12.337 -32.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -15.213 11.081 -31.840 1.00 0.00 H new ATOM 1376 N ASN A 86 -16.207 14.525 -27.684 1.00 0.00 N ATOM 1377 CA ASN A 86 -14.881 15.043 -27.370 1.00 0.00 C ATOM 1378 C ASN A 86 -14.629 15.055 -25.865 1.00 0.00 C ATOM 1379 O ASN A 86 -15.484 14.652 -25.070 1.00 0.00 O ATOM 1380 CB ASN A 86 -14.681 16.448 -27.950 1.00 0.00 C ATOM 1381 CG ASN A 86 -15.732 17.436 -27.490 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -15.614 18.032 -26.420 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -16.755 17.631 -28.305 1.00 0.00 N ATOM 0 H ASN A 86 -16.947 15.227 -27.689 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.157 14.372 -27.833 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.696 16.816 -27.664 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.696 16.391 -29.038 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.486 18.297 -28.056 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -16.813 17.115 -29.183 1.00 0.00 H new ATOM 1390 N ALA A 87 -13.446 15.513 -25.480 1.00 0.00 N ATOM 1391 CA ALA A 87 -13.039 15.511 -24.085 1.00 0.00 C ATOM 1392 C ALA A 87 -13.750 16.598 -23.290 1.00 0.00 C ATOM 1393 O ALA A 87 -14.108 16.387 -22.131 1.00 0.00 O ATOM 1394 CB ALA A 87 -11.531 15.676 -23.976 1.00 0.00 C ATOM 0 H ALA A 87 -12.748 15.893 -26.120 1.00 0.00 H new ATOM 0 HA ALA A 87 -13.324 14.550 -23.658 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.240 15.673 -22.926 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.037 14.853 -24.492 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.234 16.621 -24.432 1.00 0.00 H new ATOM 1400 N ASP A 88 -13.971 17.750 -23.917 1.00 0.00 N ATOM 1401 CA ASP A 88 -14.568 18.895 -23.229 1.00 0.00 C ATOM 1402 C ASP A 88 -15.992 18.592 -22.787 1.00 0.00 C ATOM 1403 O ASP A 88 -16.411 19.009 -21.706 1.00 0.00 O ATOM 1404 CB ASP A 88 -14.559 20.147 -24.110 1.00 0.00 C ATOM 1405 CG ASP A 88 -13.161 20.630 -24.428 1.00 0.00 C ATOM 1406 OD1 ASP A 88 -12.412 20.980 -23.490 1.00 0.00 O ATOM 1407 OD2 ASP A 88 -12.799 20.657 -25.620 1.00 0.00 O ATOM 0 H ASP A 88 -13.747 17.917 -24.898 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.958 19.087 -22.346 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.086 19.935 -25.040 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.108 20.943 -23.607 1.00 0.00 H new ATOM 1412 N GLU A 89 -16.735 17.867 -23.619 1.00 0.00 N ATOM 1413 CA GLU A 89 -18.087 17.440 -23.256 1.00 0.00 C ATOM 1414 C GLU A 89 -18.054 16.607 -21.979 1.00 0.00 C ATOM 1415 O GLU A 89 -18.913 16.741 -21.108 1.00 0.00 O ATOM 1416 CB GLU A 89 -18.731 16.625 -24.381 1.00 0.00 C ATOM 1417 CG GLU A 89 -19.014 17.420 -25.643 1.00 0.00 C ATOM 1418 CD GLU A 89 -19.756 16.602 -26.679 1.00 0.00 C ATOM 1419 OE1 GLU A 89 -19.099 15.895 -27.468 1.00 0.00 O ATOM 1420 OE2 GLU A 89 -21.004 16.661 -26.709 1.00 0.00 O ATOM 0 H GLU A 89 -16.428 17.564 -24.543 1.00 0.00 H new ATOM 0 HA GLU A 89 -18.685 18.336 -23.090 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.076 15.790 -24.630 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -19.666 16.199 -24.016 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -19.601 18.303 -25.390 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -18.074 17.773 -26.067 1.00 0.00 H new ATOM 1427 N ARG A 90 -17.039 15.762 -21.870 1.00 0.00 N ATOM 1428 CA ARG A 90 -16.866 14.917 -20.698 1.00 0.00 C ATOM 1429 C ARG A 90 -16.461 15.750 -19.486 1.00 0.00 C ATOM 1430 O ARG A 90 -16.933 15.511 -18.378 1.00 0.00 O ATOM 1431 CB ARG A 90 -15.816 13.841 -20.974 1.00 0.00 C ATOM 1432 CG ARG A 90 -16.271 12.801 -21.981 1.00 0.00 C ATOM 1433 CD ARG A 90 -15.138 11.865 -22.365 1.00 0.00 C ATOM 1434 NE ARG A 90 -15.617 10.729 -23.155 1.00 0.00 N ATOM 1435 CZ ARG A 90 -15.581 10.671 -24.489 1.00 0.00 C ATOM 1436 NH1 ARG A 90 -15.111 11.696 -25.193 1.00 0.00 N ATOM 1437 NH2 ARG A 90 -16.043 9.597 -25.117 1.00 0.00 N ATOM 0 H ARG A 90 -16.319 15.643 -22.583 1.00 0.00 H new ATOM 0 HA ARG A 90 -17.818 14.434 -20.479 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -14.906 14.317 -21.340 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -15.561 13.343 -20.038 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -17.095 12.224 -21.562 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -16.651 13.299 -22.873 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -14.389 12.415 -22.935 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -14.647 11.500 -21.463 1.00 0.00 H new ATOM 0 HE ARG A 90 -16.004 9.929 -22.654 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -14.776 12.532 -24.715 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.086 11.646 -26.211 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -16.425 8.818 -24.581 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -16.016 9.551 -26.136 1.00 0.00 H new ATOM 1451 N ILE A 91 -15.585 16.724 -19.704 1.00 0.00 N ATOM 1452 CA ILE A 91 -15.143 17.611 -18.634 1.00 0.00 C ATOM 1453 C ILE A 91 -16.321 18.424 -18.100 1.00 0.00 C ATOM 1454 O ILE A 91 -16.470 18.596 -16.890 1.00 0.00 O ATOM 1455 CB ILE A 91 -14.029 18.569 -19.116 1.00 0.00 C ATOM 1456 CG1 ILE A 91 -12.816 17.769 -19.602 1.00 0.00 C ATOM 1457 CG2 ILE A 91 -13.624 19.528 -18.003 1.00 0.00 C ATOM 1458 CD1 ILE A 91 -11.719 18.625 -20.200 1.00 0.00 C ATOM 0 H ILE A 91 -15.166 16.920 -20.613 1.00 0.00 H new ATOM 0 HA ILE A 91 -14.738 16.988 -17.837 1.00 0.00 H new ATOM 0 HB ILE A 91 -14.416 19.157 -19.948 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -12.407 17.203 -18.765 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -13.145 17.044 -20.347 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -12.839 20.193 -18.363 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -14.488 20.118 -17.699 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -13.254 18.960 -17.150 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.895 17.988 -20.521 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -12.111 19.171 -21.058 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -11.361 19.332 -19.452 1.00 0.00 H new ATOM 1470 N ALA A 92 -17.159 18.899 -19.016 1.00 0.00 N ATOM 1471 CA ALA A 92 -18.343 19.668 -18.656 1.00 0.00 C ATOM 1472 C ALA A 92 -19.288 18.850 -17.786 1.00 0.00 C ATOM 1473 O ALA A 92 -19.799 19.342 -16.783 1.00 0.00 O ATOM 1474 CB ALA A 92 -19.066 20.141 -19.907 1.00 0.00 C ATOM 0 H ALA A 92 -17.038 18.763 -20.020 1.00 0.00 H new ATOM 0 HA ALA A 92 -18.017 20.535 -18.082 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -19.948 20.714 -19.622 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -18.399 20.770 -20.497 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -19.369 19.278 -20.500 1.00 0.00 H new ATOM 1480 N TYR A 93 -19.510 17.597 -18.172 1.00 0.00 N ATOM 1481 CA TYR A 93 -20.400 16.720 -17.423 1.00 0.00 C ATOM 1482 C TYR A 93 -19.844 16.469 -16.027 1.00 0.00 C ATOM 1483 O TYR A 93 -20.591 16.424 -15.051 1.00 0.00 O ATOM 1484 CB TYR A 93 -20.606 15.394 -18.164 1.00 0.00 C ATOM 1485 CG TYR A 93 -21.769 14.574 -17.639 1.00 0.00 C ATOM 1486 CD1 TYR A 93 -23.078 14.928 -17.937 1.00 0.00 C ATOM 1487 CD2 TYR A 93 -21.559 13.453 -16.847 1.00 0.00 C ATOM 1488 CE1 TYR A 93 -24.145 14.188 -17.464 1.00 0.00 C ATOM 1489 CE2 TYR A 93 -22.622 12.709 -16.369 1.00 0.00 C ATOM 1490 CZ TYR A 93 -23.910 13.081 -16.678 1.00 0.00 C ATOM 1491 OH TYR A 93 -24.970 12.342 -16.200 1.00 0.00 O ATOM 0 H TYR A 93 -19.087 17.169 -18.996 1.00 0.00 H new ATOM 0 HA TYR A 93 -21.368 17.212 -17.330 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -20.768 15.601 -19.222 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -19.694 14.802 -18.091 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -23.266 15.797 -18.550 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -20.550 13.158 -16.601 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -25.157 14.476 -17.709 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -22.442 11.839 -15.755 1.00 0.00 H new ATOM 0 HH TYR A 93 -24.632 11.594 -15.664 1.00 0.00 H new ATOM 1501 N ILE A 94 -18.526 16.324 -15.934 1.00 0.00 N ATOM 1502 CA ILE A 94 -17.874 16.142 -14.646 1.00 0.00 C ATOM 1503 C ILE A 94 -18.029 17.402 -13.787 1.00 0.00 C ATOM 1504 O ILE A 94 -18.422 17.326 -12.622 1.00 0.00 O ATOM 1505 CB ILE A 94 -16.372 15.787 -14.812 1.00 0.00 C ATOM 1506 CG1 ILE A 94 -16.219 14.457 -15.573 1.00 0.00 C ATOM 1507 CG2 ILE A 94 -15.685 15.711 -13.454 1.00 0.00 C ATOM 1508 CD1 ILE A 94 -14.782 14.017 -15.794 1.00 0.00 C ATOM 0 H ILE A 94 -17.892 16.329 -16.733 1.00 0.00 H new ATOM 0 HA ILE A 94 -18.361 15.306 -14.144 1.00 0.00 H new ATOM 0 HB ILE A 94 -15.892 16.575 -15.392 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -16.744 13.676 -15.023 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -16.710 14.549 -16.542 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -14.633 15.461 -13.592 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -15.766 16.674 -12.951 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -16.164 14.943 -12.847 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -14.770 13.072 -16.337 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -14.254 14.775 -16.373 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -14.289 13.888 -14.831 1.00 0.00 H new ATOM 1520 N LEU A 95 -17.755 18.561 -14.384 1.00 0.00 N ATOM 1521 CA LEU A 95 -17.892 19.845 -13.694 1.00 0.00 C ATOM 1522 C LEU A 95 -19.325 20.087 -13.236 1.00 0.00 C ATOM 1523 O LEU A 95 -19.562 20.667 -12.174 1.00 0.00 O ATOM 1524 CB LEU A 95 -17.476 20.997 -14.611 1.00 0.00 C ATOM 1525 CG LEU A 95 -15.977 21.210 -14.782 1.00 0.00 C ATOM 1526 CD1 LEU A 95 -15.732 22.367 -15.740 1.00 0.00 C ATOM 1527 CD2 LEU A 95 -15.328 21.478 -13.430 1.00 0.00 C ATOM 0 H LEU A 95 -17.435 18.638 -15.349 1.00 0.00 H new ATOM 0 HA LEU A 95 -17.240 19.806 -12.821 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -17.913 20.827 -15.595 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -17.911 21.918 -14.224 1.00 0.00 H new ATOM 0 HG LEU A 95 -15.528 20.309 -15.201 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -14.659 22.518 -15.861 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -16.178 22.139 -16.708 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -16.183 23.274 -15.338 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -14.257 21.629 -13.564 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -15.767 22.371 -12.986 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -15.495 20.626 -12.771 1.00 0.00 H new ATOM 1539 N LYS A 96 -20.272 19.649 -14.051 1.00 0.00 N ATOM 1540 CA LYS A 96 -21.684 19.894 -13.802 1.00 0.00 C ATOM 1541 C LYS A 96 -22.145 19.222 -12.509 1.00 0.00 C ATOM 1542 O LYS A 96 -23.020 19.741 -11.811 1.00 0.00 O ATOM 1543 CB LYS A 96 -22.504 19.406 -14.997 1.00 0.00 C ATOM 1544 CG LYS A 96 -23.968 19.811 -14.956 1.00 0.00 C ATOM 1545 CD LYS A 96 -24.477 20.157 -16.347 1.00 0.00 C ATOM 1546 CE LYS A 96 -24.270 19.013 -17.328 1.00 0.00 C ATOM 1547 NZ LYS A 96 -24.517 19.436 -18.730 1.00 0.00 N ATOM 0 H LYS A 96 -20.085 19.116 -14.900 1.00 0.00 H new ATOM 0 HA LYS A 96 -21.838 20.966 -13.679 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -22.057 19.794 -15.912 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -22.441 18.319 -15.047 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -24.562 18.998 -14.539 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -24.093 20.669 -14.295 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -25.538 20.403 -16.295 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -23.961 21.046 -16.712 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -23.251 18.636 -17.236 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -24.939 18.191 -17.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -24.366 18.629 -19.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -25.497 19.772 -18.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -23.862 20.204 -18.982 1.00 0.00 H new ATOM 1561 N GLN A 97 -21.544 18.082 -12.183 1.00 0.00 N ATOM 1562 CA GLN A 97 -21.859 17.384 -10.942 1.00 0.00 C ATOM 1563 C GLN A 97 -21.168 18.047 -9.759 1.00 0.00 C ATOM 1564 O GLN A 97 -21.662 17.997 -8.632 1.00 0.00 O ATOM 1565 CB GLN A 97 -21.464 15.908 -11.032 1.00 0.00 C ATOM 1566 CG GLN A 97 -22.608 14.997 -11.456 1.00 0.00 C ATOM 1567 CD GLN A 97 -23.293 15.461 -12.727 1.00 0.00 C ATOM 1568 OE1 GLN A 97 -24.262 16.222 -12.686 1.00 0.00 O ATOM 1569 NE2 GLN A 97 -22.795 15.013 -13.866 1.00 0.00 N ATOM 0 H GLN A 97 -20.838 17.623 -12.759 1.00 0.00 H new ATOM 0 HA GLN A 97 -22.937 17.442 -10.788 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -20.644 15.802 -11.742 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -21.090 15.581 -10.062 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -22.226 13.987 -11.603 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -23.342 14.946 -10.652 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -21.992 14.384 -13.859 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -23.214 15.296 -14.752 1.00 0.00 H new ATOM 1578 N ILE A 98 -20.027 18.671 -10.017 1.00 0.00 N ATOM 1579 CA ILE A 98 -19.328 19.429 -8.988 1.00 0.00 C ATOM 1580 C ILE A 98 -20.140 20.667 -8.621 1.00 0.00 C ATOM 1581 O ILE A 98 -20.259 21.031 -7.449 1.00 0.00 O ATOM 1582 CB ILE A 98 -17.918 19.850 -9.461 1.00 0.00 C ATOM 1583 CG1 ILE A 98 -17.115 18.618 -9.888 1.00 0.00 C ATOM 1584 CG2 ILE A 98 -17.184 20.612 -8.362 1.00 0.00 C ATOM 1585 CD1 ILE A 98 -15.749 18.947 -10.452 1.00 0.00 C ATOM 0 H ILE A 98 -19.567 18.668 -10.927 1.00 0.00 H new ATOM 0 HA ILE A 98 -19.215 18.790 -8.113 1.00 0.00 H new ATOM 0 HB ILE A 98 -18.025 20.513 -10.319 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -16.994 17.958 -9.029 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -17.684 18.066 -10.636 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -16.194 20.898 -8.717 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -17.749 21.507 -8.100 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -17.084 19.976 -7.483 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -15.239 18.025 -10.732 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -15.862 19.581 -11.331 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -15.161 19.472 -9.699 1.00 0.00 H new ATOM 1597 N ASP A 99 -20.716 21.298 -9.636 1.00 0.00 N ATOM 1598 CA ASP A 99 -21.562 22.464 -9.428 1.00 0.00 C ATOM 1599 C ASP A 99 -22.879 22.051 -8.785 1.00 0.00 C ATOM 1600 O ASP A 99 -23.218 22.504 -7.691 1.00 0.00 O ATOM 1601 CB ASP A 99 -21.827 23.179 -10.755 1.00 0.00 C ATOM 1602 CG ASP A 99 -22.683 24.417 -10.581 1.00 0.00 C ATOM 1603 OD1 ASP A 99 -22.175 25.424 -10.047 1.00 0.00 O ATOM 1604 OD2 ASP A 99 -23.860 24.396 -10.990 1.00 0.00 O ATOM 0 H ASP A 99 -20.612 21.021 -10.612 1.00 0.00 H new ATOM 0 HA ASP A 99 -21.043 23.152 -8.760 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -20.877 23.458 -11.211 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -22.321 22.492 -11.443 1.00 0.00 H new