USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 761 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 59 CYS SG : rot -108:sc= -4.45! USER MOD Set 1.2: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 3 LYS NZ :NH3+ -160:sc= -0.397 (180deg=0) USER MOD Set 2.2: A 5 ASN : amide:sc= -0.193 K(o=-0.59,f=-4!) USER MOD Single : A 7 LYS NZ :NH3+ -178:sc= -1.31 (180deg=-1.31) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 68:sc= 0.967 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0104 X(o=-0.01,f=-0.2) USER MOD Single : A 33 THR OG1 : rot 80:sc=-0.00605 USER MOD Single : A 36 LYS NZ :NH3+ -168:sc=-0.00328 (180deg=-0.251) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.61) USER MOD Single : A 47 HIS : no HE2:sc= -0.244 X(o=-0.24,f=-0.64) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HE2:sc= -5.41! C(o=-5.4!,f=-6.9!) USER MOD Single : A 62 LYS NZ :NH3+ 141:sc= -0.176 (180deg=-1.85!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HE2:sc= 0.969 K(o=0.97,f=-3.8!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -11.651 -0.429 8.905 1.00 0.00 N ATOM 21 CA LEU A 2 -12.650 -1.291 8.284 1.00 0.00 C ATOM 22 C LEU A 2 -12.007 -2.563 7.741 1.00 0.00 C ATOM 23 O LEU A 2 -10.813 -2.793 7.920 1.00 0.00 O ATOM 24 CB LEU A 2 -13.367 -0.547 7.156 1.00 0.00 C ATOM 25 CG LEU A 2 -13.816 0.875 7.499 1.00 0.00 C ATOM 26 CD1 LEU A 2 -13.658 1.791 6.297 1.00 0.00 C ATOM 27 CD2 LEU A 2 -15.257 0.877 7.987 1.00 0.00 C ATOM 0 HA LEU A 2 -13.378 -1.569 9.046 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -12.704 -0.504 6.292 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -14.241 -1.126 6.858 1.00 0.00 H new ATOM 0 HG LEU A 2 -13.181 1.251 8.301 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.983 2.797 6.561 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -12.611 1.815 5.993 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -14.266 1.418 5.473 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -15.559 1.897 8.226 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -15.906 0.480 7.206 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -15.340 0.256 8.879 1.00 0.00 H new ATOM 39 N LYS A 3 -12.810 -3.386 7.075 1.00 0.00 N ATOM 40 CA LYS A 3 -12.321 -4.636 6.504 1.00 0.00 C ATOM 41 C LYS A 3 -11.194 -4.374 5.509 1.00 0.00 C ATOM 42 O LYS A 3 -11.093 -3.286 4.945 1.00 0.00 O ATOM 43 CB LYS A 3 -13.465 -5.383 5.814 1.00 0.00 C ATOM 44 CG LYS A 3 -13.287 -6.892 5.801 1.00 0.00 C ATOM 45 CD LYS A 3 -12.744 -7.378 4.468 1.00 0.00 C ATOM 46 CE LYS A 3 -13.688 -7.046 3.325 1.00 0.00 C ATOM 47 NZ LYS A 3 -13.438 -7.899 2.131 1.00 0.00 N ATOM 0 H LYS A 3 -13.802 -3.210 6.917 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.929 -5.251 7.314 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -14.401 -5.140 6.317 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -13.553 -5.027 4.787 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -12.607 -7.186 6.601 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -14.244 -7.374 6.003 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.772 -6.921 4.282 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.587 -8.456 4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.718 -7.178 3.656 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -13.572 -5.997 3.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.840 -7.442 1.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -12.414 -8.024 2.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -13.886 -8.828 2.268 1.00 0.00 H new ATOM 61 N LEU A 4 -10.349 -5.379 5.299 1.00 0.00 N ATOM 62 CA LEU A 4 -9.229 -5.253 4.372 1.00 0.00 C ATOM 63 C LEU A 4 -9.291 -6.327 3.291 1.00 0.00 C ATOM 64 O LEU A 4 -9.753 -7.443 3.534 1.00 0.00 O ATOM 65 CB LEU A 4 -7.901 -5.353 5.126 1.00 0.00 C ATOM 66 CG LEU A 4 -6.680 -4.844 4.352 1.00 0.00 C ATOM 67 CD1 LEU A 4 -6.148 -3.560 4.971 1.00 0.00 C ATOM 68 CD2 LEU A 4 -5.591 -5.907 4.311 1.00 0.00 C ATOM 0 H LEU A 4 -10.418 -6.288 5.757 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.297 -4.276 3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.984 -4.790 6.056 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.732 -6.395 5.398 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.990 -4.629 3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.281 -3.216 4.406 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.924 -2.795 4.946 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.857 -3.748 6.004 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.732 -5.527 3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.286 -6.155 5.328 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.974 -6.801 3.819 1.00 0.00 H new ATOM 80 N ASN A 5 -8.822 -5.983 2.096 1.00 0.00 N ATOM 81 CA ASN A 5 -8.821 -6.916 0.976 1.00 0.00 C ATOM 82 C ASN A 5 -7.472 -6.909 0.265 1.00 0.00 C ATOM 83 O ASN A 5 -6.574 -6.148 0.625 1.00 0.00 O ATOM 84 CB ASN A 5 -9.935 -6.560 -0.010 1.00 0.00 C ATOM 85 CG ASN A 5 -10.693 -7.783 -0.492 1.00 0.00 C ATOM 86 OD1 ASN A 5 -10.094 -8.767 -0.926 1.00 0.00 O ATOM 87 ND2 ASN A 5 -12.018 -7.725 -0.417 1.00 0.00 N ATOM 0 H ASN A 5 -8.437 -5.064 1.879 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.999 -7.918 1.367 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.631 -5.869 0.466 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.506 -6.041 -0.867 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -12.581 -8.517 -0.726 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -12.472 -6.888 -0.050 1.00 0.00 H new ATOM 94 N LEU A 6 -7.336 -7.760 -0.747 1.00 0.00 N ATOM 95 CA LEU A 6 -6.096 -7.849 -1.507 1.00 0.00 C ATOM 96 C LEU A 6 -6.378 -8.108 -2.983 1.00 0.00 C ATOM 97 O LEU A 6 -7.172 -8.983 -3.331 1.00 0.00 O ATOM 98 CB LEU A 6 -5.204 -8.959 -0.946 1.00 0.00 C ATOM 99 CG LEU A 6 -4.963 -8.893 0.565 1.00 0.00 C ATOM 100 CD1 LEU A 6 -5.878 -9.865 1.295 1.00 0.00 C ATOM 101 CD2 LEU A 6 -3.506 -9.187 0.886 1.00 0.00 C ATOM 0 H LEU A 6 -8.069 -8.397 -1.059 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.577 -6.895 -1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.654 -9.922 -1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.241 -8.922 -1.455 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.193 -7.884 0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.692 -9.804 2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.918 -9.609 1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.680 -10.880 0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.353 -9.136 1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.249 -10.185 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.869 -8.452 0.394 1.00 0.00 H new ATOM 113 N LYS A 7 -5.722 -7.342 -3.848 1.00 0.00 N ATOM 114 CA LYS A 7 -5.899 -7.485 -5.289 1.00 0.00 C ATOM 115 C LYS A 7 -4.672 -8.130 -5.924 1.00 0.00 C ATOM 116 O LYS A 7 -3.582 -8.108 -5.354 1.00 0.00 O ATOM 117 CB LYS A 7 -6.161 -6.122 -5.930 1.00 0.00 C ATOM 118 CG LYS A 7 -7.454 -5.469 -5.466 1.00 0.00 C ATOM 119 CD LYS A 7 -8.627 -5.866 -6.346 1.00 0.00 C ATOM 120 CE LYS A 7 -9.916 -5.201 -5.891 1.00 0.00 C ATOM 121 NZ LYS A 7 -10.284 -5.598 -4.505 1.00 0.00 N ATOM 0 H LYS A 7 -5.061 -6.614 -3.576 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.760 -8.131 -5.462 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.327 -5.457 -5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.191 -6.239 -7.013 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.658 -5.757 -4.435 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.340 -4.385 -5.478 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.418 -5.588 -7.379 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.748 -6.949 -6.325 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.803 -4.118 -5.941 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.723 -5.469 -6.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.186 -5.151 -4.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.383 -6.632 -4.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.541 -5.289 -3.846 1.00 0.00 H new ATOM 135 N LYS A 8 -4.858 -8.704 -7.108 1.00 0.00 N ATOM 136 CA LYS A 8 -3.764 -9.355 -7.821 1.00 0.00 C ATOM 137 C LYS A 8 -2.662 -8.353 -8.152 1.00 0.00 C ATOM 138 O LYS A 8 -1.482 -8.701 -8.184 1.00 0.00 O ATOM 139 CB LYS A 8 -4.281 -10.004 -9.106 1.00 0.00 C ATOM 140 CG LYS A 8 -5.027 -11.308 -8.871 1.00 0.00 C ATOM 141 CD LYS A 8 -4.886 -12.251 -10.057 1.00 0.00 C ATOM 142 CE LYS A 8 -5.624 -13.558 -9.818 1.00 0.00 C ATOM 143 NZ LYS A 8 -6.967 -13.562 -10.460 1.00 0.00 N ATOM 0 H LYS A 8 -5.754 -8.732 -7.594 1.00 0.00 H new ATOM 0 HA LYS A 8 -3.348 -10.127 -7.174 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.942 -9.304 -9.616 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.439 -10.192 -9.773 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.643 -11.791 -7.973 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.082 -11.098 -8.694 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.276 -11.770 -10.954 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.831 -12.455 -10.238 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.032 -14.386 -10.209 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.733 -13.722 -8.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.438 -14.470 -10.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.541 -12.788 -10.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.862 -13.431 -11.486 1.00 0.00 H new ATOM 157 N SER A 9 -3.057 -7.108 -8.398 1.00 0.00 N ATOM 158 CA SER A 9 -2.106 -6.054 -8.725 1.00 0.00 C ATOM 159 C SER A 9 -1.155 -5.789 -7.560 1.00 0.00 C ATOM 160 O SER A 9 -0.054 -5.273 -7.751 1.00 0.00 O ATOM 161 CB SER A 9 -2.845 -4.767 -9.096 1.00 0.00 C ATOM 162 OG SER A 9 -3.618 -4.291 -8.008 1.00 0.00 O ATOM 0 H SER A 9 -4.031 -6.805 -8.377 1.00 0.00 H new ATOM 0 HA SER A 9 -1.517 -6.388 -9.579 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.126 -4.005 -9.396 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.492 -4.950 -9.954 1.00 0.00 H new ATOM 0 HG SER A 9 -3.022 -3.989 -7.291 1.00 0.00 H new ATOM 168 N PHE A 10 -1.589 -6.140 -6.352 1.00 0.00 N ATOM 169 CA PHE A 10 -0.776 -5.935 -5.159 1.00 0.00 C ATOM 170 C PHE A 10 0.305 -7.007 -5.040 1.00 0.00 C ATOM 171 O PHE A 10 1.393 -6.749 -4.525 1.00 0.00 O ATOM 172 CB PHE A 10 -1.658 -5.943 -3.911 1.00 0.00 C ATOM 173 CG PHE A 10 -0.942 -5.505 -2.666 1.00 0.00 C ATOM 174 CD1 PHE A 10 -0.584 -4.179 -2.487 1.00 0.00 C ATOM 175 CD2 PHE A 10 -0.627 -6.420 -1.674 1.00 0.00 C ATOM 176 CE1 PHE A 10 0.076 -3.773 -1.343 1.00 0.00 C ATOM 177 CE2 PHE A 10 0.033 -6.020 -0.528 1.00 0.00 C ATOM 178 CZ PHE A 10 0.385 -4.695 -0.362 1.00 0.00 C ATOM 0 H PHE A 10 -2.498 -6.567 -6.175 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.287 -4.965 -5.246 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.514 -5.289 -4.077 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.050 -6.949 -3.760 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.824 -3.454 -3.251 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.900 -7.457 -1.798 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.350 -2.736 -1.216 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.273 -6.743 0.237 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.901 -4.380 0.533 1.00 0.00 H new ATOM 188 N GLN A 11 -0.003 -8.208 -5.516 1.00 0.00 N ATOM 189 CA GLN A 11 0.943 -9.318 -5.460 1.00 0.00 C ATOM 190 C GLN A 11 2.108 -9.097 -6.421 1.00 0.00 C ATOM 191 O GLN A 11 3.270 -9.255 -6.048 1.00 0.00 O ATOM 192 CB GLN A 11 0.235 -10.635 -5.790 1.00 0.00 C ATOM 193 CG GLN A 11 -0.777 -11.059 -4.738 1.00 0.00 C ATOM 194 CD GLN A 11 -1.406 -12.406 -5.042 1.00 0.00 C ATOM 195 OE1 GLN A 11 -0.711 -13.375 -5.341 1.00 0.00 O ATOM 196 NE2 GLN A 11 -2.730 -12.470 -4.966 1.00 0.00 N ATOM 0 H GLN A 11 -0.899 -8.439 -5.945 1.00 0.00 H new ATOM 0 HA GLN A 11 1.341 -9.370 -4.447 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.271 -10.536 -6.750 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.981 -11.421 -5.903 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.288 -11.102 -3.765 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.560 -10.304 -4.668 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.267 -11.640 -4.714 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.210 -13.349 -5.160 1.00 0.00 H new ATOM 205 N LYS A 12 1.790 -8.730 -7.658 1.00 0.00 N ATOM 206 CA LYS A 12 2.811 -8.488 -8.673 1.00 0.00 C ATOM 207 C LYS A 12 3.524 -7.154 -8.446 1.00 0.00 C ATOM 208 O LYS A 12 4.493 -6.837 -9.130 1.00 0.00 O ATOM 209 CB LYS A 12 2.189 -8.515 -10.069 1.00 0.00 C ATOM 210 CG LYS A 12 1.088 -7.485 -10.270 1.00 0.00 C ATOM 211 CD LYS A 12 0.053 -7.966 -11.275 1.00 0.00 C ATOM 212 CE LYS A 12 0.276 -7.349 -12.647 1.00 0.00 C ATOM 213 NZ LYS A 12 0.198 -8.367 -13.733 1.00 0.00 N ATOM 0 H LYS A 12 0.833 -8.593 -7.983 1.00 0.00 H new ATOM 0 HA LYS A 12 3.551 -9.284 -8.593 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.972 -8.346 -10.809 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.783 -9.509 -10.256 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.602 -7.279 -9.316 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.524 -6.547 -10.615 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.098 -9.052 -11.352 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.946 -7.712 -10.919 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.470 -6.574 -12.822 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.252 -6.864 -12.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.355 -7.907 -14.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.926 -9.094 -13.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.742 -8.812 -13.725 1.00 0.00 H new ATOM 227 N ASP A 13 3.040 -6.377 -7.483 1.00 0.00 N ATOM 228 CA ASP A 13 3.637 -5.081 -7.172 1.00 0.00 C ATOM 229 C ASP A 13 4.715 -5.219 -6.099 1.00 0.00 C ATOM 230 O ASP A 13 5.596 -4.369 -5.984 1.00 0.00 O ATOM 231 CB ASP A 13 2.561 -4.098 -6.711 1.00 0.00 C ATOM 232 CG ASP A 13 2.219 -3.075 -7.777 1.00 0.00 C ATOM 233 OD1 ASP A 13 2.935 -2.056 -7.872 1.00 0.00 O ATOM 234 OD2 ASP A 13 1.238 -3.294 -8.516 1.00 0.00 O ATOM 0 H ASP A 13 2.236 -6.621 -6.904 1.00 0.00 H new ATOM 0 HA ASP A 13 4.104 -4.697 -8.079 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.661 -4.650 -6.438 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.903 -3.583 -5.813 1.00 0.00 H new ATOM 239 N PHE A 14 4.630 -6.290 -5.315 1.00 0.00 N ATOM 240 CA PHE A 14 5.582 -6.551 -4.247 1.00 0.00 C ATOM 241 C PHE A 14 6.744 -7.396 -4.760 1.00 0.00 C ATOM 242 O PHE A 14 7.866 -6.910 -4.899 1.00 0.00 O ATOM 243 CB PHE A 14 4.875 -7.264 -3.089 1.00 0.00 C ATOM 244 CG PHE A 14 5.790 -7.696 -1.977 1.00 0.00 C ATOM 245 CD1 PHE A 14 6.449 -8.913 -2.037 1.00 0.00 C ATOM 246 CD2 PHE A 14 5.983 -6.887 -0.868 1.00 0.00 C ATOM 247 CE1 PHE A 14 7.285 -9.315 -1.014 1.00 0.00 C ATOM 248 CE2 PHE A 14 6.817 -7.287 0.160 1.00 0.00 C ATOM 249 CZ PHE A 14 7.469 -8.501 0.086 1.00 0.00 C ATOM 0 H PHE A 14 3.901 -6.998 -5.404 1.00 0.00 H new ATOM 0 HA PHE A 14 5.982 -5.602 -3.891 1.00 0.00 H new ATOM 0 HB2 PHE A 14 4.113 -6.600 -2.680 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.358 -8.140 -3.479 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.307 -9.555 -2.894 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.477 -5.935 -0.806 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.794 -10.265 -1.074 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.958 -6.650 1.020 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.122 -8.814 0.887 1.00 0.00 H new ATOM 259 N ASP A 15 6.461 -8.664 -5.040 1.00 0.00 N ATOM 260 CA ASP A 15 7.474 -9.589 -5.536 1.00 0.00 C ATOM 261 C ASP A 15 8.242 -8.989 -6.710 1.00 0.00 C ATOM 262 O ASP A 15 9.442 -9.215 -6.857 1.00 0.00 O ATOM 263 CB ASP A 15 6.828 -10.910 -5.956 1.00 0.00 C ATOM 264 CG ASP A 15 6.836 -11.938 -4.842 1.00 0.00 C ATOM 265 OD1 ASP A 15 7.030 -11.544 -3.671 1.00 0.00 O ATOM 266 OD2 ASP A 15 6.649 -13.137 -5.138 1.00 0.00 O ATOM 0 H ASP A 15 5.534 -9.076 -4.931 1.00 0.00 H new ATOM 0 HA ASP A 15 8.179 -9.777 -4.727 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.800 -10.725 -6.269 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.357 -11.311 -6.820 1.00 0.00 H new ATOM 271 N LYS A 16 7.545 -8.223 -7.545 1.00 0.00 N ATOM 272 CA LYS A 16 8.178 -7.596 -8.700 1.00 0.00 C ATOM 273 C LYS A 16 9.006 -6.385 -8.279 1.00 0.00 C ATOM 274 O LYS A 16 9.912 -5.964 -8.999 1.00 0.00 O ATOM 275 CB LYS A 16 7.127 -7.188 -9.731 1.00 0.00 C ATOM 276 CG LYS A 16 7.621 -7.264 -11.167 1.00 0.00 C ATOM 277 CD LYS A 16 7.540 -8.683 -11.709 1.00 0.00 C ATOM 278 CE LYS A 16 6.098 -9.140 -11.867 1.00 0.00 C ATOM 279 NZ LYS A 16 6.006 -10.486 -12.496 1.00 0.00 N ATOM 0 H LYS A 16 6.550 -8.023 -7.444 1.00 0.00 H new ATOM 0 HA LYS A 16 8.848 -8.326 -9.154 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.254 -7.831 -9.621 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.801 -6.169 -9.521 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.026 -6.599 -11.793 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.651 -6.912 -11.218 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.046 -8.734 -12.673 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.066 -9.361 -11.036 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.616 -9.163 -10.890 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.553 -8.418 -12.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.007 -10.760 -12.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.443 -10.459 -13.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.504 -11.181 -11.903 1.00 0.00 H new ATOM 293 N LEU A 17 8.703 -5.838 -7.105 1.00 0.00 N ATOM 294 CA LEU A 17 9.436 -4.689 -6.590 1.00 0.00 C ATOM 295 C LEU A 17 10.625 -5.153 -5.767 1.00 0.00 C ATOM 296 O LEU A 17 11.757 -4.724 -5.992 1.00 0.00 O ATOM 297 CB LEU A 17 8.525 -3.811 -5.728 1.00 0.00 C ATOM 298 CG LEU A 17 8.217 -2.427 -6.304 1.00 0.00 C ATOM 299 CD1 LEU A 17 7.192 -1.709 -5.441 1.00 0.00 C ATOM 300 CD2 LEU A 17 9.492 -1.604 -6.416 1.00 0.00 C ATOM 0 H LEU A 17 7.957 -6.172 -6.495 1.00 0.00 H new ATOM 0 HA LEU A 17 9.791 -4.102 -7.437 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.584 -4.338 -5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.989 -3.685 -4.750 1.00 0.00 H new ATOM 0 HG LEU A 17 7.798 -2.552 -7.303 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.984 -0.726 -5.864 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.272 -2.292 -5.408 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.584 -1.593 -4.431 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.257 -0.622 -6.827 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.937 -1.486 -5.428 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.197 -2.113 -7.073 1.00 0.00 H new ATOM 312 N LEU A 18 10.357 -6.032 -4.807 1.00 0.00 N ATOM 313 CA LEU A 18 11.402 -6.560 -3.936 1.00 0.00 C ATOM 314 C LEU A 18 12.606 -7.056 -4.740 1.00 0.00 C ATOM 315 O LEU A 18 13.743 -6.984 -4.275 1.00 0.00 O ATOM 316 CB LEU A 18 10.852 -7.700 -3.076 1.00 0.00 C ATOM 317 CG LEU A 18 10.044 -7.268 -1.849 1.00 0.00 C ATOM 318 CD1 LEU A 18 10.892 -6.411 -0.923 1.00 0.00 C ATOM 319 CD2 LEU A 18 8.785 -6.524 -2.268 1.00 0.00 C ATOM 0 H LEU A 18 9.424 -6.394 -4.612 1.00 0.00 H new ATOM 0 HA LEU A 18 11.734 -5.746 -3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.221 -8.332 -3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.687 -8.315 -2.741 1.00 0.00 H new ATOM 0 HG LEU A 18 9.744 -8.164 -1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.299 -6.114 -0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.759 -6.982 -0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.227 -5.521 -1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.226 -6.226 -1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.060 -5.637 -2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.166 -7.175 -2.885 1.00 0.00 H new ATOM 331 N LEU A 19 12.348 -7.566 -5.940 1.00 0.00 N ATOM 332 CA LEU A 19 13.416 -8.079 -6.796 1.00 0.00 C ATOM 333 C LEU A 19 13.989 -6.987 -7.702 1.00 0.00 C ATOM 334 O LEU A 19 14.995 -7.200 -8.378 1.00 0.00 O ATOM 335 CB LEU A 19 12.900 -9.243 -7.646 1.00 0.00 C ATOM 336 CG LEU A 19 11.748 -8.897 -8.594 1.00 0.00 C ATOM 337 CD1 LEU A 19 12.269 -8.180 -9.830 1.00 0.00 C ATOM 338 CD2 LEU A 19 10.991 -10.158 -8.988 1.00 0.00 C ATOM 0 H LEU A 19 11.413 -7.636 -6.342 1.00 0.00 H new ATOM 0 HA LEU A 19 14.218 -8.431 -6.147 1.00 0.00 H new ATOM 0 HB2 LEU A 19 13.728 -9.637 -8.235 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.574 -10.042 -6.980 1.00 0.00 H new ATOM 0 HG LEU A 19 11.062 -8.228 -8.075 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.436 -7.943 -10.491 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.770 -7.259 -9.532 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.975 -8.824 -10.354 1.00 0.00 H new ATOM 0 HD21 LEU A 19 10.175 -9.897 -9.662 1.00 0.00 H new ATOM 0 HD22 LEU A 19 11.670 -10.848 -9.490 1.00 0.00 H new ATOM 0 HD23 LEU A 19 10.586 -10.633 -8.095 1.00 0.00 H new ATOM 350 N ASN A 20 13.350 -5.821 -7.712 1.00 0.00 N ATOM 351 CA ASN A 20 13.805 -4.708 -8.538 1.00 0.00 C ATOM 352 C ASN A 20 14.666 -3.746 -7.726 1.00 0.00 C ATOM 353 O ASN A 20 14.563 -2.528 -7.874 1.00 0.00 O ATOM 354 CB ASN A 20 12.609 -3.965 -9.131 1.00 0.00 C ATOM 355 CG ASN A 20 12.866 -3.492 -10.549 1.00 0.00 C ATOM 356 OD1 ASN A 20 13.118 -2.309 -10.785 1.00 0.00 O ATOM 357 ND2 ASN A 20 12.806 -4.414 -11.501 1.00 0.00 N ATOM 0 H ASN A 20 12.517 -5.623 -7.158 1.00 0.00 H new ATOM 0 HA ASN A 20 14.410 -5.112 -9.349 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.737 -4.620 -9.122 1.00 0.00 H new ATOM 0 HB3 ASN A 20 12.370 -3.107 -8.503 1.00 0.00 H new ATOM 0 HD21 ASN A 20 12.972 -4.155 -12.473 1.00 0.00 H new ATOM 0 HD22 ASN A 20 12.594 -5.382 -11.261 1.00 0.00 H new ATOM 364 N GLY A 21 15.518 -4.298 -6.867 1.00 0.00 N ATOM 365 CA GLY A 21 16.382 -3.474 -6.045 1.00 0.00 C ATOM 366 C GLY A 21 15.618 -2.718 -4.978 1.00 0.00 C ATOM 367 O GLY A 21 16.038 -1.645 -4.543 1.00 0.00 O ATOM 0 H GLY A 21 15.624 -5.303 -6.726 1.00 0.00 H new ATOM 0 HA2 GLY A 21 17.135 -4.103 -5.571 1.00 0.00 H new ATOM 0 HA3 GLY A 21 16.913 -2.764 -6.679 1.00 0.00 H new ATOM 371 N PHE A 22 14.489 -3.279 -4.555 1.00 0.00 N ATOM 372 CA PHE A 22 13.659 -2.655 -3.533 1.00 0.00 C ATOM 373 C PHE A 22 13.986 -3.216 -2.152 1.00 0.00 C ATOM 374 O PHE A 22 13.998 -4.431 -1.951 1.00 0.00 O ATOM 375 CB PHE A 22 12.178 -2.872 -3.855 1.00 0.00 C ATOM 376 CG PHE A 22 11.244 -2.389 -2.784 1.00 0.00 C ATOM 377 CD1 PHE A 22 11.097 -1.035 -2.531 1.00 0.00 C ATOM 378 CD2 PHE A 22 10.512 -3.291 -2.031 1.00 0.00 C ATOM 379 CE1 PHE A 22 10.237 -0.590 -1.545 1.00 0.00 C ATOM 380 CE2 PHE A 22 9.650 -2.853 -1.044 1.00 0.00 C ATOM 381 CZ PHE A 22 9.513 -1.501 -0.800 1.00 0.00 C ATOM 0 H PHE A 22 14.129 -4.166 -4.906 1.00 0.00 H new ATOM 0 HA PHE A 22 13.868 -1.585 -3.525 1.00 0.00 H new ATOM 0 HB2 PHE A 22 11.941 -2.360 -4.788 1.00 0.00 H new ATOM 0 HB3 PHE A 22 12.005 -3.935 -4.022 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.661 -0.319 -3.111 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.616 -4.350 -2.217 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.131 0.468 -1.357 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.084 -3.567 -0.464 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.841 -1.156 -0.028 1.00 0.00 H new ATOM 391 N ASP A 23 14.251 -2.323 -1.202 1.00 0.00 N ATOM 392 CA ASP A 23 14.579 -2.730 0.161 1.00 0.00 C ATOM 393 C ASP A 23 13.469 -3.591 0.754 1.00 0.00 C ATOM 394 O ASP A 23 12.326 -3.151 0.875 1.00 0.00 O ATOM 395 CB ASP A 23 14.812 -1.498 1.039 1.00 0.00 C ATOM 396 CG ASP A 23 15.918 -1.713 2.054 1.00 0.00 C ATOM 397 OD1 ASP A 23 15.621 -2.218 3.157 1.00 0.00 O ATOM 398 OD2 ASP A 23 17.081 -1.376 1.745 1.00 0.00 O ATOM 0 H ASP A 23 14.245 -1.314 -1.351 1.00 0.00 H new ATOM 0 HA ASP A 23 15.493 -3.323 0.128 1.00 0.00 H new ATOM 0 HB2 ASP A 23 15.063 -0.647 0.407 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.888 -1.246 1.560 1.00 0.00 H new ATOM 403 N ASP A 24 13.813 -4.822 1.117 1.00 0.00 N ATOM 404 CA ASP A 24 12.846 -5.748 1.693 1.00 0.00 C ATOM 405 C ASP A 24 12.669 -5.500 3.188 1.00 0.00 C ATOM 406 O ASP A 24 11.573 -5.654 3.727 1.00 0.00 O ATOM 407 CB ASP A 24 13.288 -7.193 1.453 1.00 0.00 C ATOM 408 CG ASP A 24 14.706 -7.450 1.924 1.00 0.00 C ATOM 409 OD1 ASP A 24 15.628 -6.774 1.423 1.00 0.00 O ATOM 410 OD2 ASP A 24 14.894 -8.327 2.793 1.00 0.00 O ATOM 0 H ASP A 24 14.755 -5.201 1.022 1.00 0.00 H new ATOM 0 HA ASP A 24 11.887 -5.580 1.203 1.00 0.00 H new ATOM 0 HB2 ASP A 24 12.608 -7.869 1.971 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.214 -7.421 0.390 1.00 0.00 H new ATOM 415 N SER A 25 13.754 -5.118 3.852 1.00 0.00 N ATOM 416 CA SER A 25 13.720 -4.850 5.286 1.00 0.00 C ATOM 417 C SER A 25 12.696 -3.768 5.623 1.00 0.00 C ATOM 418 O SER A 25 12.220 -3.682 6.755 1.00 0.00 O ATOM 419 CB SER A 25 15.104 -4.427 5.780 1.00 0.00 C ATOM 420 OG SER A 25 15.360 -4.931 7.080 1.00 0.00 O ATOM 0 H SER A 25 14.669 -4.987 3.420 1.00 0.00 H new ATOM 0 HA SER A 25 13.424 -5.770 5.790 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.866 -4.790 5.090 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.173 -3.339 5.789 1.00 0.00 H new ATOM 0 HG SER A 25 16.252 -4.647 7.371 1.00 0.00 H new ATOM 426 N VAL A 26 12.363 -2.942 4.636 1.00 0.00 N ATOM 427 CA VAL A 26 11.399 -1.866 4.831 1.00 0.00 C ATOM 428 C VAL A 26 9.966 -2.374 4.709 1.00 0.00 C ATOM 429 O VAL A 26 9.067 -1.898 5.402 1.00 0.00 O ATOM 430 CB VAL A 26 11.614 -0.729 3.815 1.00 0.00 C ATOM 431 CG1 VAL A 26 10.741 0.468 4.158 1.00 0.00 C ATOM 432 CG2 VAL A 26 13.081 -0.331 3.761 1.00 0.00 C ATOM 0 H VAL A 26 12.747 -2.998 3.693 1.00 0.00 H new ATOM 0 HA VAL A 26 11.559 -1.482 5.839 1.00 0.00 H new ATOM 0 HB VAL A 26 11.323 -1.089 2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.907 1.261 3.429 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.692 0.171 4.138 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.997 0.831 5.153 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.213 0.474 3.038 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.402 0.010 4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.680 -1.191 3.461 1.00 0.00 H new ATOM 442 N LEU A 27 9.760 -3.339 3.819 1.00 0.00 N ATOM 443 CA LEU A 27 8.433 -3.907 3.601 1.00 0.00 C ATOM 444 C LEU A 27 7.854 -4.466 4.899 1.00 0.00 C ATOM 445 O LEU A 27 6.651 -4.377 5.143 1.00 0.00 O ATOM 446 CB LEU A 27 8.493 -5.000 2.525 1.00 0.00 C ATOM 447 CG LEU A 27 8.837 -6.406 3.028 1.00 0.00 C ATOM 448 CD1 LEU A 27 7.571 -7.171 3.382 1.00 0.00 C ATOM 449 CD2 LEU A 27 9.644 -7.164 1.985 1.00 0.00 C ATOM 0 H LEU A 27 10.493 -3.744 3.237 1.00 0.00 H new ATOM 0 HA LEU A 27 7.775 -3.110 3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.528 -5.040 2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.232 -4.710 1.778 1.00 0.00 H new ATOM 0 HG LEU A 27 9.444 -6.309 3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.835 -8.167 3.737 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.031 -6.638 4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.939 -7.257 2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.879 -8.160 2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.063 -7.250 1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.570 -6.626 1.780 1.00 0.00 H new ATOM 461 N ASN A 28 8.719 -5.046 5.725 1.00 0.00 N ATOM 462 CA ASN A 28 8.296 -5.624 6.995 1.00 0.00 C ATOM 463 C ASN A 28 7.719 -4.557 7.925 1.00 0.00 C ATOM 464 O ASN A 28 6.944 -4.866 8.828 1.00 0.00 O ATOM 465 CB ASN A 28 9.473 -6.327 7.674 1.00 0.00 C ATOM 466 CG ASN A 28 9.158 -7.769 8.029 1.00 0.00 C ATOM 467 OD1 ASN A 28 8.059 -8.081 8.486 1.00 0.00 O ATOM 468 ND2 ASN A 28 10.125 -8.654 7.819 1.00 0.00 N ATOM 0 H ASN A 28 9.718 -5.128 5.537 1.00 0.00 H new ATOM 0 HA ASN A 28 7.513 -6.353 6.787 1.00 0.00 H new ATOM 0 HB2 ASN A 28 10.340 -6.299 7.014 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.744 -5.784 8.579 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.972 -9.638 8.038 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.021 -8.350 7.438 1.00 0.00 H new ATOM 475 N GLU A 29 8.106 -3.305 7.700 1.00 0.00 N ATOM 476 CA GLU A 29 7.626 -2.201 8.524 1.00 0.00 C ATOM 477 C GLU A 29 6.228 -1.764 8.098 1.00 0.00 C ATOM 478 O GLU A 29 5.417 -1.349 8.926 1.00 0.00 O ATOM 479 CB GLU A 29 8.591 -1.017 8.438 1.00 0.00 C ATOM 480 CG GLU A 29 9.794 -1.145 9.357 1.00 0.00 C ATOM 481 CD GLU A 29 11.076 -0.652 8.714 1.00 0.00 C ATOM 482 OE1 GLU A 29 11.314 0.574 8.729 1.00 0.00 O ATOM 483 OE2 GLU A 29 11.840 -1.493 8.195 1.00 0.00 O ATOM 0 H GLU A 29 8.748 -3.030 6.957 1.00 0.00 H new ATOM 0 HA GLU A 29 7.576 -2.549 9.556 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.939 -0.916 7.410 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.053 -0.102 8.683 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.610 -0.580 10.271 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.916 -2.189 9.647 1.00 0.00 H new ATOM 490 N VAL A 30 5.951 -1.855 6.801 1.00 0.00 N ATOM 491 CA VAL A 30 4.649 -1.465 6.269 1.00 0.00 C ATOM 492 C VAL A 30 3.678 -2.643 6.263 1.00 0.00 C ATOM 493 O VAL A 30 2.511 -2.499 6.631 1.00 0.00 O ATOM 494 CB VAL A 30 4.772 -0.894 4.841 1.00 0.00 C ATOM 495 CG1 VAL A 30 5.327 -1.939 3.888 1.00 0.00 C ATOM 496 CG2 VAL A 30 3.426 -0.378 4.354 1.00 0.00 C ATOM 0 H VAL A 30 6.609 -2.195 6.100 1.00 0.00 H new ATOM 0 HA VAL A 30 4.259 -0.688 6.926 1.00 0.00 H new ATOM 0 HB VAL A 30 5.470 -0.057 4.866 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.405 -1.514 2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.314 -2.253 4.227 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.660 -2.801 3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.533 0.021 3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.704 -1.195 4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.076 0.410 5.021 1.00 0.00 H new ATOM 506 N ILE A 31 4.165 -3.808 5.846 1.00 0.00 N ATOM 507 CA ILE A 31 3.338 -5.009 5.797 1.00 0.00 C ATOM 508 C ILE A 31 2.901 -5.428 7.203 1.00 0.00 C ATOM 509 O ILE A 31 1.883 -6.098 7.372 1.00 0.00 O ATOM 510 CB ILE A 31 4.087 -6.175 5.102 1.00 0.00 C ATOM 511 CG1 ILE A 31 3.775 -6.180 3.604 1.00 0.00 C ATOM 512 CG2 ILE A 31 3.726 -7.521 5.718 1.00 0.00 C ATOM 513 CD1 ILE A 31 4.346 -4.992 2.863 1.00 0.00 C ATOM 0 H ILE A 31 5.127 -3.946 5.537 1.00 0.00 H new ATOM 0 HA ILE A 31 2.449 -4.773 5.211 1.00 0.00 H new ATOM 0 HB ILE A 31 5.156 -6.019 5.248 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.168 -7.096 3.163 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.694 -6.198 3.467 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.270 -8.314 5.205 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.995 -7.521 6.774 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.654 -7.692 5.616 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.085 -5.062 1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.934 -4.072 3.278 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.431 -4.984 2.969 1.00 0.00 H new ATOM 525 N LEU A 32 3.681 -5.030 8.203 1.00 0.00 N ATOM 526 CA LEU A 32 3.379 -5.365 9.590 1.00 0.00 C ATOM 527 C LEU A 32 2.160 -4.594 10.090 1.00 0.00 C ATOM 528 O LEU A 32 1.263 -5.166 10.709 1.00 0.00 O ATOM 529 CB LEU A 32 4.602 -5.070 10.473 1.00 0.00 C ATOM 530 CG LEU A 32 4.298 -4.669 11.921 1.00 0.00 C ATOM 531 CD1 LEU A 32 5.398 -5.156 12.850 1.00 0.00 C ATOM 532 CD2 LEU A 32 4.131 -3.159 12.030 1.00 0.00 C ATOM 0 H LEU A 32 4.527 -4.475 8.078 1.00 0.00 H new ATOM 0 HA LEU A 32 3.145 -6.428 9.646 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.238 -5.955 10.487 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.178 -4.270 10.008 1.00 0.00 H new ATOM 0 HG LEU A 32 3.363 -5.140 12.222 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.166 -4.863 13.874 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.470 -6.242 12.791 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.348 -4.713 12.552 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.916 -2.890 13.064 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.050 -2.667 11.711 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.308 -2.837 11.393 1.00 0.00 H new ATOM 544 N THR A 33 2.139 -3.295 9.823 1.00 0.00 N ATOM 545 CA THR A 33 1.036 -2.445 10.256 1.00 0.00 C ATOM 546 C THR A 33 -0.281 -2.867 9.608 1.00 0.00 C ATOM 547 O THR A 33 -1.357 -2.620 10.154 1.00 0.00 O ATOM 548 CB THR A 33 1.335 -0.983 9.923 1.00 0.00 C ATOM 549 OG1 THR A 33 2.569 -0.581 10.490 1.00 0.00 O ATOM 550 CG2 THR A 33 0.271 -0.026 10.415 1.00 0.00 C ATOM 0 H THR A 33 2.872 -2.806 9.309 1.00 0.00 H new ATOM 0 HA THR A 33 0.933 -2.557 11.335 1.00 0.00 H new ATOM 0 HB THR A 33 1.367 -0.937 8.834 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.306 -0.895 9.925 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.546 0.994 10.145 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.685 -0.278 9.956 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.185 -0.104 11.499 1.00 0.00 H new ATOM 558 N LEU A 34 -0.195 -3.493 8.440 1.00 0.00 N ATOM 559 CA LEU A 34 -1.386 -3.933 7.722 1.00 0.00 C ATOM 560 C LEU A 34 -1.788 -5.352 8.119 1.00 0.00 C ATOM 561 O LEU A 34 -2.973 -5.676 8.179 1.00 0.00 O ATOM 562 CB LEU A 34 -1.144 -3.865 6.213 1.00 0.00 C ATOM 563 CG LEU A 34 -0.622 -2.520 5.704 1.00 0.00 C ATOM 564 CD1 LEU A 34 -0.264 -2.611 4.229 1.00 0.00 C ATOM 565 CD2 LEU A 34 -1.652 -1.425 5.939 1.00 0.00 C ATOM 0 H LEU A 34 0.685 -3.707 7.971 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.203 -3.264 7.991 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.431 -4.642 5.939 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.078 -4.094 5.699 1.00 0.00 H new ATOM 0 HG LEU A 34 0.280 -2.267 6.261 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.105 -1.645 3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.509 -3.367 4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.149 -2.886 3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.264 -0.475 5.571 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.572 -1.671 5.409 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.859 -1.343 7.006 1.00 0.00 H new ATOM 577 N ARG A 35 -0.795 -6.198 8.376 1.00 0.00 N ATOM 578 CA ARG A 35 -1.052 -7.584 8.751 1.00 0.00 C ATOM 579 C ARG A 35 -1.109 -7.765 10.267 1.00 0.00 C ATOM 580 O ARG A 35 -0.951 -8.878 10.767 1.00 0.00 O ATOM 581 CB ARG A 35 0.026 -8.494 8.162 1.00 0.00 C ATOM 582 CG ARG A 35 0.068 -8.474 6.645 1.00 0.00 C ATOM 583 CD ARG A 35 0.410 -9.843 6.074 1.00 0.00 C ATOM 584 NE ARG A 35 -0.724 -10.449 5.379 1.00 0.00 N ATOM 585 CZ ARG A 35 -1.591 -11.284 5.952 1.00 0.00 C ATOM 586 NH1 ARG A 35 -1.470 -11.613 7.232 1.00 0.00 N ATOM 587 NH2 ARG A 35 -2.589 -11.789 5.239 1.00 0.00 N ATOM 0 H ARG A 35 0.193 -5.949 8.332 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.027 -7.857 8.347 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.999 -8.190 8.549 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.147 -9.516 8.500 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.898 -8.149 6.258 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.806 -7.745 6.311 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.249 -9.748 5.384 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.734 -10.501 6.881 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.860 -10.219 4.395 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.708 -11.226 7.788 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.139 -12.253 7.660 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.691 -11.538 4.256 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.254 -12.428 5.674 1.00 0.00 H new ATOM 601 N LYS A 36 -1.340 -6.678 10.997 1.00 0.00 N ATOM 602 CA LYS A 36 -1.418 -6.753 12.453 1.00 0.00 C ATOM 603 C LYS A 36 -2.795 -6.324 12.951 1.00 0.00 C ATOM 604 O LYS A 36 -3.470 -7.082 13.649 1.00 0.00 O ATOM 605 CB LYS A 36 -0.337 -5.877 13.090 1.00 0.00 C ATOM 606 CG LYS A 36 0.974 -6.608 13.330 1.00 0.00 C ATOM 607 CD LYS A 36 1.502 -6.365 14.735 1.00 0.00 C ATOM 608 CE LYS A 36 3.018 -6.428 14.781 1.00 0.00 C ATOM 609 NZ LYS A 36 3.546 -7.634 14.085 1.00 0.00 N ATOM 0 H LYS A 36 -1.475 -5.744 10.610 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.255 -7.790 12.745 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.152 -5.017 12.446 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.707 -5.490 14.040 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.829 -7.677 13.175 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.714 -6.278 12.601 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.167 -5.389 15.086 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.086 -7.109 15.414 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.433 -5.532 14.319 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.350 -6.434 15.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.555 -7.750 14.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.022 -8.475 14.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.430 -7.520 13.058 1.00 0.00 H new ATOM 623 N LYS A 37 -3.205 -5.110 12.576 1.00 0.00 N ATOM 624 CA LYS A 37 -4.509 -4.554 12.964 1.00 0.00 C ATOM 625 C LYS A 37 -4.476 -3.026 12.960 1.00 0.00 C ATOM 626 O LYS A 37 -5.519 -2.376 12.890 1.00 0.00 O ATOM 627 CB LYS A 37 -4.936 -5.037 14.357 1.00 0.00 C ATOM 628 CG LYS A 37 -3.851 -4.896 15.413 1.00 0.00 C ATOM 629 CD LYS A 37 -4.443 -4.825 16.811 1.00 0.00 C ATOM 630 CE LYS A 37 -3.359 -4.701 17.871 1.00 0.00 C ATOM 631 NZ LYS A 37 -3.635 -5.566 19.053 1.00 0.00 N ATOM 0 H LYS A 37 -2.646 -4.484 11.996 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.233 -4.906 12.229 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.814 -4.474 14.674 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.234 -6.083 14.293 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.167 -5.742 15.349 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.266 -3.997 15.218 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.118 -3.972 16.878 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.038 -5.718 17.001 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.396 -4.973 17.439 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.282 -3.662 18.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.873 -5.452 19.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.542 -5.290 19.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.683 -6.560 18.752 1.00 0.00 H new ATOM 645 N GLU A 38 -3.275 -2.457 13.040 1.00 0.00 N ATOM 646 CA GLU A 38 -3.117 -1.008 13.053 1.00 0.00 C ATOM 647 C GLU A 38 -3.563 -0.392 11.726 1.00 0.00 C ATOM 648 O GLU A 38 -3.022 -0.721 10.670 1.00 0.00 O ATOM 649 CB GLU A 38 -1.658 -0.638 13.333 1.00 0.00 C ATOM 650 CG GLU A 38 -1.499 0.522 14.300 1.00 0.00 C ATOM 651 CD GLU A 38 -1.316 0.067 15.735 1.00 0.00 C ATOM 652 OE1 GLU A 38 -1.908 -0.967 16.109 1.00 0.00 O ATOM 653 OE2 GLU A 38 -0.580 0.744 16.483 1.00 0.00 O ATOM 0 H GLU A 38 -2.400 -2.978 13.097 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.749 -0.608 13.846 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.142 -1.509 13.736 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.169 -0.385 12.392 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.640 1.123 14.002 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.376 1.166 14.236 1.00 0.00 H new ATOM 660 N PRO A 39 -4.557 0.514 11.761 1.00 0.00 N ATOM 661 CA PRO A 39 -5.064 1.172 10.555 1.00 0.00 C ATOM 662 C PRO A 39 -4.128 2.267 10.057 1.00 0.00 C ATOM 663 O PRO A 39 -3.071 2.504 10.639 1.00 0.00 O ATOM 664 CB PRO A 39 -6.390 1.772 11.019 1.00 0.00 C ATOM 665 CG PRO A 39 -6.186 2.049 12.468 1.00 0.00 C ATOM 666 CD PRO A 39 -5.263 0.972 12.975 1.00 0.00 C ATOM 0 HA PRO A 39 -5.160 0.480 9.718 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.627 2.683 10.470 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.217 1.080 10.860 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -5.751 3.037 12.618 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.135 2.033 13.005 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.568 1.359 13.720 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.816 0.160 13.446 1.00 0.00 H new ATOM 674 N LEU A 40 -4.526 2.934 8.979 1.00 0.00 N ATOM 675 CA LEU A 40 -3.725 4.006 8.405 1.00 0.00 C ATOM 676 C LEU A 40 -4.133 5.359 8.980 1.00 0.00 C ATOM 677 O LEU A 40 -5.209 5.874 8.677 1.00 0.00 O ATOM 678 CB LEU A 40 -3.868 4.022 6.882 1.00 0.00 C ATOM 679 CG LEU A 40 -3.542 2.698 6.187 1.00 0.00 C ATOM 680 CD1 LEU A 40 -3.865 2.781 4.704 1.00 0.00 C ATOM 681 CD2 LEU A 40 -2.081 2.335 6.397 1.00 0.00 C ATOM 0 H LEU A 40 -5.400 2.750 8.486 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.682 3.822 8.662 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.891 4.304 6.631 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.216 4.797 6.479 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.158 1.915 6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.627 1.831 4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.925 2.997 4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.275 3.575 4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.865 1.391 5.897 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.448 3.119 5.981 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.881 2.234 7.464 1.00 0.00 H new ATOM 693 N ASP A 41 -3.267 5.926 9.813 1.00 0.00 N ATOM 694 CA ASP A 41 -3.537 7.219 10.433 1.00 0.00 C ATOM 695 C ASP A 41 -3.753 8.298 9.375 1.00 0.00 C ATOM 696 O ASP A 41 -3.366 8.130 8.219 1.00 0.00 O ATOM 697 CB ASP A 41 -2.382 7.616 11.356 1.00 0.00 C ATOM 698 CG ASP A 41 -2.545 7.064 12.758 1.00 0.00 C ATOM 699 OD1 ASP A 41 -3.668 7.139 13.300 1.00 0.00 O ATOM 700 OD2 ASP A 41 -1.549 6.555 13.315 1.00 0.00 O ATOM 0 H ASP A 41 -2.373 5.511 10.075 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.450 7.127 11.022 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.444 7.256 10.934 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.315 8.703 11.402 1.00 0.00 H new ATOM 705 N PRO A 42 -4.373 9.428 9.761 1.00 0.00 N ATOM 706 CA PRO A 42 -4.636 10.537 8.837 1.00 0.00 C ATOM 707 C PRO A 42 -3.352 11.217 8.373 1.00 0.00 C ATOM 708 O PRO A 42 -3.263 11.690 7.240 1.00 0.00 O ATOM 709 CB PRO A 42 -5.483 11.505 9.669 1.00 0.00 C ATOM 710 CG PRO A 42 -5.146 11.187 11.085 1.00 0.00 C ATOM 711 CD PRO A 42 -4.863 9.712 11.121 1.00 0.00 C ATOM 0 HA PRO A 42 -5.128 10.199 7.925 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.248 12.542 9.430 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.547 11.367 9.475 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.280 11.759 11.418 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.971 11.442 11.750 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.118 9.464 11.877 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.759 9.136 11.354 1.00 0.00 H new ATOM 719 N GLN A 43 -2.359 11.258 9.256 1.00 0.00 N ATOM 720 CA GLN A 43 -1.077 11.877 8.937 1.00 0.00 C ATOM 721 C GLN A 43 -0.428 11.206 7.729 1.00 0.00 C ATOM 722 O GLN A 43 0.431 11.791 7.070 1.00 0.00 O ATOM 723 CB GLN A 43 -0.138 11.800 10.142 1.00 0.00 C ATOM 724 CG GLN A 43 -0.695 12.461 11.392 1.00 0.00 C ATOM 725 CD GLN A 43 0.100 13.682 11.812 1.00 0.00 C ATOM 726 OE1 GLN A 43 1.066 13.578 12.570 1.00 0.00 O ATOM 727 NE2 GLN A 43 -0.302 14.849 11.320 1.00 0.00 N ATOM 0 H GLN A 43 -2.417 10.870 10.198 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.260 12.923 8.691 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.075 10.753 10.359 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.810 12.272 9.884 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.731 12.750 11.214 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.702 11.738 12.208 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -1.107 14.889 10.695 1.00 0.00 H new ATOM 0 HE22 GLN A 43 0.195 15.705 11.567 1.00 0.00 H new ATOM 736 N PHE A 44 -0.843 9.975 7.442 1.00 0.00 N ATOM 737 CA PHE A 44 -0.301 9.227 6.312 1.00 0.00 C ATOM 738 C PHE A 44 -0.494 9.990 5.003 1.00 0.00 C ATOM 739 O PHE A 44 0.213 9.749 4.025 1.00 0.00 O ATOM 740 CB PHE A 44 -0.970 7.854 6.217 1.00 0.00 C ATOM 741 CG PHE A 44 -0.402 6.840 7.171 1.00 0.00 C ATOM 742 CD1 PHE A 44 -0.157 7.172 8.493 1.00 0.00 C ATOM 743 CD2 PHE A 44 -0.113 5.553 6.743 1.00 0.00 C ATOM 744 CE1 PHE A 44 0.364 6.241 9.371 1.00 0.00 C ATOM 745 CE2 PHE A 44 0.409 4.618 7.615 1.00 0.00 C ATOM 746 CZ PHE A 44 0.647 4.963 8.932 1.00 0.00 C ATOM 0 H PHE A 44 -1.553 9.475 7.977 1.00 0.00 H new ATOM 0 HA PHE A 44 0.768 9.096 6.478 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.037 7.965 6.411 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.868 7.479 5.199 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.376 8.170 8.842 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.298 5.279 5.715 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.550 6.513 10.400 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.631 3.619 7.269 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.054 4.234 9.617 1.00 0.00 H new ATOM 756 N GLN A 45 -1.456 10.911 4.991 1.00 0.00 N ATOM 757 CA GLN A 45 -1.740 11.708 3.801 1.00 0.00 C ATOM 758 C GLN A 45 -2.242 10.827 2.661 1.00 0.00 C ATOM 759 O GLN A 45 -1.574 10.672 1.638 1.00 0.00 O ATOM 760 CB GLN A 45 -0.492 12.478 3.361 1.00 0.00 C ATOM 761 CG GLN A 45 0.045 13.424 4.421 1.00 0.00 C ATOM 762 CD GLN A 45 -0.431 14.849 4.224 1.00 0.00 C ATOM 763 OE1 GLN A 45 -0.445 15.363 3.105 1.00 0.00 O ATOM 764 NE2 GLN A 45 -0.823 15.499 5.314 1.00 0.00 N ATOM 0 H GLN A 45 -2.051 11.123 5.792 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.524 12.422 4.054 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.288 11.766 3.093 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.726 13.048 2.462 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.265 13.074 5.406 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.135 13.403 4.403 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.795 15.035 6.222 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.152 16.462 5.243 1.00 0.00 H new ATOM 773 N ASP A 46 -3.426 10.251 2.845 1.00 0.00 N ATOM 774 CA ASP A 46 -4.022 9.386 1.833 1.00 0.00 C ATOM 775 C ASP A 46 -4.949 10.180 0.917 1.00 0.00 C ATOM 776 O ASP A 46 -6.050 10.562 1.312 1.00 0.00 O ATOM 777 CB ASP A 46 -4.794 8.250 2.500 1.00 0.00 C ATOM 778 CG ASP A 46 -5.934 8.753 3.364 1.00 0.00 C ATOM 779 OD1 ASP A 46 -5.658 9.441 4.369 1.00 0.00 O ATOM 780 OD2 ASP A 46 -7.103 8.459 3.036 1.00 0.00 O ATOM 0 H ASP A 46 -3.992 10.368 3.686 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.219 8.965 1.228 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.190 7.584 1.733 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -4.111 7.661 3.112 1.00 0.00 H new ATOM 785 N HIS A 47 -4.495 10.425 -0.309 1.00 0.00 N ATOM 786 CA HIS A 47 -5.285 11.173 -1.280 1.00 0.00 C ATOM 787 C HIS A 47 -5.477 10.369 -2.561 1.00 0.00 C ATOM 788 O HIS A 47 -4.929 9.278 -2.710 1.00 0.00 O ATOM 789 CB HIS A 47 -4.608 12.507 -1.599 1.00 0.00 C ATOM 790 CG HIS A 47 -4.294 13.326 -0.385 1.00 0.00 C ATOM 791 ND1 HIS A 47 -3.218 13.068 0.438 1.00 0.00 N ATOM 792 CD2 HIS A 47 -4.923 14.402 0.145 1.00 0.00 C ATOM 793 CE1 HIS A 47 -3.199 13.950 1.422 1.00 0.00 C ATOM 794 NE2 HIS A 47 -4.221 14.770 1.268 1.00 0.00 N ATOM 0 H HIS A 47 -3.585 10.117 -0.653 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.265 11.365 -0.843 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.685 12.315 -2.146 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -5.255 13.085 -2.259 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -2.543 12.315 0.308 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.810 14.881 -0.242 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.470 13.992 2.218 1.00 0.00 H new ATOM 803 N ALA A 48 -6.263 10.917 -3.485 1.00 0.00 N ATOM 804 CA ALA A 48 -6.529 10.251 -4.754 1.00 0.00 C ATOM 805 C ALA A 48 -5.650 10.814 -5.865 1.00 0.00 C ATOM 806 O ALA A 48 -5.778 11.979 -6.242 1.00 0.00 O ATOM 807 CB ALA A 48 -7.999 10.385 -5.122 1.00 0.00 C ATOM 0 H ALA A 48 -6.726 11.820 -3.377 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.289 9.194 -4.638 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.184 9.883 -6.072 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.612 9.928 -4.345 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.257 11.440 -5.213 1.00 0.00 H new ATOM 813 N LEU A 49 -4.758 9.978 -6.387 1.00 0.00 N ATOM 814 CA LEU A 49 -3.857 10.392 -7.456 1.00 0.00 C ATOM 815 C LEU A 49 -4.641 10.799 -8.699 1.00 0.00 C ATOM 816 O LEU A 49 -5.798 10.413 -8.868 1.00 0.00 O ATOM 817 CB LEU A 49 -2.887 9.258 -7.799 1.00 0.00 C ATOM 818 CG LEU A 49 -2.142 8.661 -6.603 1.00 0.00 C ATOM 819 CD1 LEU A 49 -1.922 7.169 -6.802 1.00 0.00 C ATOM 820 CD2 LEU A 49 -0.816 9.375 -6.393 1.00 0.00 C ATOM 0 H LEU A 49 -4.640 9.010 -6.087 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.289 11.255 -7.108 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.443 8.463 -8.296 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.155 9.631 -8.515 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.752 8.801 -5.711 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.391 6.762 -5.942 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.885 6.670 -6.903 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.332 7.005 -7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.299 8.938 -5.539 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.199 9.266 -7.285 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.998 10.433 -6.205 1.00 0.00 H new ATOM 832 N LYS A 50 -4.007 11.581 -9.566 1.00 0.00 N ATOM 833 CA LYS A 50 -4.646 12.041 -10.792 1.00 0.00 C ATOM 834 C LYS A 50 -4.067 11.333 -12.012 1.00 0.00 C ATOM 835 O LYS A 50 -3.013 10.703 -11.935 1.00 0.00 O ATOM 836 CB LYS A 50 -4.480 13.553 -10.941 1.00 0.00 C ATOM 837 CG LYS A 50 -3.039 14.023 -10.807 1.00 0.00 C ATOM 838 CD LYS A 50 -2.711 15.119 -11.809 1.00 0.00 C ATOM 839 CE LYS A 50 -2.612 16.479 -11.139 1.00 0.00 C ATOM 840 NZ LYS A 50 -3.931 16.944 -10.627 1.00 0.00 N ATOM 0 H LYS A 50 -3.049 11.910 -9.441 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.707 11.801 -10.728 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.864 13.858 -11.914 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.088 14.053 -10.187 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.869 14.392 -9.795 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.365 13.179 -10.957 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.769 14.888 -12.306 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.480 15.148 -12.581 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.901 16.427 -10.315 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.222 17.207 -11.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.820 17.875 -10.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.603 17.019 -11.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.292 16.263 -9.929 1.00 0.00 H new ATOM 854 N GLY A 51 -4.762 11.450 -13.138 1.00 0.00 N ATOM 855 CA GLY A 51 -4.303 10.822 -14.364 1.00 0.00 C ATOM 856 C GLY A 51 -4.145 9.329 -14.232 1.00 0.00 C ATOM 857 O GLY A 51 -3.220 8.851 -13.575 1.00 0.00 O ATOM 0 H GLY A 51 -5.636 11.969 -13.224 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.010 11.038 -15.165 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.348 11.259 -14.655 1.00 0.00 H new ATOM 861 N LYS A 52 -5.044 8.590 -14.863 1.00 0.00 N ATOM 862 CA LYS A 52 -5.009 7.130 -14.824 1.00 0.00 C ATOM 863 C LYS A 52 -5.353 6.607 -13.430 1.00 0.00 C ATOM 864 O LYS A 52 -6.151 5.681 -13.287 1.00 0.00 O ATOM 865 CB LYS A 52 -3.632 6.612 -15.255 1.00 0.00 C ATOM 866 CG LYS A 52 -3.636 5.937 -16.616 1.00 0.00 C ATOM 867 CD LYS A 52 -3.963 6.922 -17.727 1.00 0.00 C ATOM 868 CE LYS A 52 -3.105 6.679 -18.958 1.00 0.00 C ATOM 869 NZ LYS A 52 -3.713 7.268 -20.183 1.00 0.00 N ATOM 0 H LYS A 52 -5.812 8.976 -15.412 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.760 6.761 -15.523 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.929 7.445 -15.274 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.269 5.905 -14.509 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.661 5.487 -16.803 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.366 5.128 -16.620 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.016 6.835 -17.994 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.808 7.940 -17.369 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.115 7.108 -18.801 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.969 5.607 -19.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.098 7.081 -21.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.647 6.840 -20.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.820 8.295 -20.058 1.00 0.00 H new ATOM 883 N TRP A 53 -4.748 7.205 -12.406 1.00 0.00 N ATOM 884 CA TRP A 53 -4.996 6.790 -11.029 1.00 0.00 C ATOM 885 C TRP A 53 -6.042 7.683 -10.369 1.00 0.00 C ATOM 886 O TRP A 53 -5.995 7.923 -9.163 1.00 0.00 O ATOM 887 CB TRP A 53 -3.696 6.828 -10.225 1.00 0.00 C ATOM 888 CG TRP A 53 -2.597 6.007 -10.830 1.00 0.00 C ATOM 889 CD1 TRP A 53 -1.323 6.416 -11.098 1.00 0.00 C ATOM 890 CD2 TRP A 53 -2.677 4.638 -11.242 1.00 0.00 C ATOM 891 NE1 TRP A 53 -0.604 5.385 -11.653 1.00 0.00 N ATOM 892 CE2 TRP A 53 -1.412 4.283 -11.751 1.00 0.00 C ATOM 893 CE3 TRP A 53 -3.692 3.677 -11.229 1.00 0.00 C ATOM 894 CZ2 TRP A 53 -1.140 3.009 -12.243 1.00 0.00 C ATOM 895 CZ3 TRP A 53 -3.419 2.413 -11.716 1.00 0.00 C ATOM 896 CH2 TRP A 53 -2.152 2.089 -12.217 1.00 0.00 C ATOM 0 H TRP A 53 -4.086 7.975 -12.504 1.00 0.00 H new ATOM 0 HA TRP A 53 -5.378 5.769 -11.046 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.361 7.862 -10.138 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -3.892 6.470 -9.214 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.936 7.405 -10.902 1.00 0.00 H new ATOM 0 HE1 TRP A 53 0.372 5.432 -11.945 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.672 3.918 -10.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -0.164 2.756 -12.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.196 1.662 -11.710 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.970 1.092 -12.591 1.00 0.00 H new ATOM 907 N LYS A 54 -6.986 8.172 -11.167 1.00 0.00 N ATOM 908 CA LYS A 54 -8.044 9.036 -10.659 1.00 0.00 C ATOM 909 C LYS A 54 -9.005 8.259 -9.764 1.00 0.00 C ATOM 910 O LYS A 54 -9.280 8.668 -8.636 1.00 0.00 O ATOM 911 CB LYS A 54 -8.808 9.683 -11.818 1.00 0.00 C ATOM 912 CG LYS A 54 -8.753 11.202 -11.809 1.00 0.00 C ATOM 913 CD LYS A 54 -10.108 11.812 -12.128 1.00 0.00 C ATOM 914 CE LYS A 54 -10.227 13.225 -11.577 1.00 0.00 C ATOM 915 NZ LYS A 54 -11.646 13.624 -11.373 1.00 0.00 N ATOM 0 H LYS A 54 -7.039 7.984 -12.168 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.580 9.820 -10.061 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.399 9.318 -12.760 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.850 9.365 -11.778 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.418 11.549 -10.831 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.018 11.545 -12.538 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.256 11.828 -13.208 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.897 11.189 -11.707 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.692 13.291 -10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.749 13.924 -12.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.684 14.593 -10.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.151 13.585 -12.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.096 12.973 -10.698 1.00 0.00 H new ATOM 929 N PRO A 55 -9.532 7.122 -10.252 1.00 0.00 N ATOM 930 CA PRO A 55 -10.462 6.296 -9.484 1.00 0.00 C ATOM 931 C PRO A 55 -9.751 5.401 -8.473 1.00 0.00 C ATOM 932 O PRO A 55 -10.051 4.211 -8.367 1.00 0.00 O ATOM 933 CB PRO A 55 -11.139 5.454 -10.562 1.00 0.00 C ATOM 934 CG PRO A 55 -10.103 5.298 -11.622 1.00 0.00 C ATOM 935 CD PRO A 55 -9.266 6.554 -11.589 1.00 0.00 C ATOM 0 HA PRO A 55 -11.151 6.895 -8.889 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.454 4.487 -10.170 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.031 5.947 -10.949 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.488 4.417 -11.437 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.565 5.165 -12.600 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.208 6.333 -11.726 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.552 7.246 -12.381 1.00 0.00 H new ATOM 943 N PHE A 56 -8.810 5.978 -7.730 1.00 0.00 N ATOM 944 CA PHE A 56 -8.063 5.227 -6.727 1.00 0.00 C ATOM 945 C PHE A 56 -7.501 6.158 -5.658 1.00 0.00 C ATOM 946 O PHE A 56 -7.633 7.379 -5.751 1.00 0.00 O ATOM 947 CB PHE A 56 -6.925 4.445 -7.388 1.00 0.00 C ATOM 948 CG PHE A 56 -7.398 3.407 -8.365 1.00 0.00 C ATOM 949 CD1 PHE A 56 -7.862 2.179 -7.920 1.00 0.00 C ATOM 950 CD2 PHE A 56 -7.379 3.657 -9.727 1.00 0.00 C ATOM 951 CE1 PHE A 56 -8.298 1.221 -8.816 1.00 0.00 C ATOM 952 CE2 PHE A 56 -7.814 2.703 -10.628 1.00 0.00 C ATOM 953 CZ PHE A 56 -8.274 1.484 -10.171 1.00 0.00 C ATOM 0 H PHE A 56 -8.548 6.961 -7.804 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.747 4.526 -6.250 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.266 5.144 -7.904 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.331 3.959 -6.614 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.883 1.968 -6.861 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.020 4.609 -10.090 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.657 0.268 -8.456 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.794 2.911 -11.688 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.615 0.737 -10.873 1.00 0.00 H new ATOM 963 N ARG A 57 -6.875 5.574 -4.640 1.00 0.00 N ATOM 964 CA ARG A 57 -6.294 6.352 -3.552 1.00 0.00 C ATOM 965 C ARG A 57 -4.926 5.804 -3.161 1.00 0.00 C ATOM 966 O ARG A 57 -4.701 4.594 -3.189 1.00 0.00 O ATOM 967 CB ARG A 57 -7.226 6.344 -2.338 1.00 0.00 C ATOM 968 CG ARG A 57 -6.712 7.174 -1.171 1.00 0.00 C ATOM 969 CD ARG A 57 -7.642 7.087 0.029 1.00 0.00 C ATOM 970 NE ARG A 57 -8.700 8.095 -0.025 1.00 0.00 N ATOM 971 CZ ARG A 57 -9.865 7.920 -0.648 1.00 0.00 C ATOM 972 NH1 ARG A 57 -10.132 6.779 -1.272 1.00 0.00 N ATOM 973 NH2 ARG A 57 -10.768 8.893 -0.648 1.00 0.00 N ATOM 0 H ARG A 57 -6.758 4.565 -4.547 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.168 7.378 -3.899 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.204 6.721 -2.638 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.369 5.315 -2.007 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.718 6.828 -0.888 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.612 8.215 -1.480 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.089 6.094 0.070 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.065 7.215 0.945 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.536 8.987 0.443 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.443 6.027 -1.277 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.026 6.654 -1.746 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.570 9.773 -0.172 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.660 8.761 -1.124 1.00 0.00 H new ATOM 987 N GLU A 58 -4.014 6.702 -2.800 1.00 0.00 N ATOM 988 CA GLU A 58 -2.667 6.306 -2.406 1.00 0.00 C ATOM 989 C GLU A 58 -2.486 6.414 -0.895 1.00 0.00 C ATOM 990 O GLU A 58 -3.394 6.839 -0.180 1.00 0.00 O ATOM 991 CB GLU A 58 -1.626 7.174 -3.119 1.00 0.00 C ATOM 992 CG GLU A 58 -0.431 6.390 -3.635 1.00 0.00 C ATOM 993 CD GLU A 58 0.835 7.223 -3.684 1.00 0.00 C ATOM 994 OE1 GLU A 58 1.178 7.842 -2.655 1.00 0.00 O ATOM 995 OE2 GLU A 58 1.485 7.256 -4.750 1.00 0.00 O ATOM 0 H GLU A 58 -4.183 7.707 -2.772 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.524 5.266 -2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.103 7.686 -3.955 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.275 7.944 -2.432 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.266 5.523 -2.996 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.652 6.013 -4.633 1.00 0.00 H new ATOM 1002 N CYS A 59 -1.310 6.024 -0.416 1.00 0.00 N ATOM 1003 CA CYS A 59 -1.006 6.075 1.008 1.00 0.00 C ATOM 1004 C CYS A 59 0.482 5.851 1.249 1.00 0.00 C ATOM 1005 O CYS A 59 1.052 4.861 0.791 1.00 0.00 O ATOM 1006 CB CYS A 59 -1.823 5.024 1.763 1.00 0.00 C ATOM 1007 SG CYS A 59 -2.463 5.590 3.355 1.00 0.00 S ATOM 0 H CYS A 59 -0.550 5.668 -0.996 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.272 7.065 1.379 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.659 4.712 1.138 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.201 4.144 1.926 1.00 0.00 H new ATOM 0 HG CYS A 59 -1.810 5.009 4.317 1.00 0.00 H new ATOM 1013 N HIS A 60 1.110 6.776 1.966 1.00 0.00 N ATOM 1014 CA HIS A 60 2.535 6.676 2.259 1.00 0.00 C ATOM 1015 C HIS A 60 2.769 6.190 3.688 1.00 0.00 C ATOM 1016 O HIS A 60 3.004 6.989 4.593 1.00 0.00 O ATOM 1017 CB HIS A 60 3.215 8.032 2.055 1.00 0.00 C ATOM 1018 CG HIS A 60 2.813 8.719 0.787 1.00 0.00 C ATOM 1019 ND1 HIS A 60 3.722 9.168 -0.148 1.00 0.00 N ATOM 1020 CD2 HIS A 60 1.589 9.039 0.302 1.00 0.00 C ATOM 1021 CE1 HIS A 60 3.076 9.734 -1.152 1.00 0.00 C ATOM 1022 NE2 HIS A 60 1.781 9.668 -0.904 1.00 0.00 N ATOM 0 H HIS A 60 0.656 7.602 2.355 1.00 0.00 H new ATOM 0 HA HIS A 60 2.969 5.949 1.572 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.978 8.679 2.900 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.296 7.891 2.055 1.00 0.00 H new ATOM 0 HD1 HIS A 60 4.735 9.077 -0.076 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.639 8.837 0.775 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.530 10.176 -2.027 1.00 0.00 H new ATOM 1031 N ILE A 61 2.709 4.876 3.880 1.00 0.00 N ATOM 1032 CA ILE A 61 2.922 4.287 5.198 1.00 0.00 C ATOM 1033 C ILE A 61 4.313 4.630 5.726 1.00 0.00 C ATOM 1034 O ILE A 61 4.532 4.682 6.938 1.00 0.00 O ATOM 1035 CB ILE A 61 2.752 2.752 5.165 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.334 2.386 4.719 1.00 0.00 C ATOM 1037 CG2 ILE A 61 3.051 2.146 6.531 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.230 2.046 3.247 1.00 0.00 C ATOM 0 H ILE A 61 2.515 4.200 3.141 1.00 0.00 H new ATOM 0 HA ILE A 61 2.168 4.707 5.864 1.00 0.00 H new ATOM 0 HB ILE A 61 3.463 2.343 4.447 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.986 1.536 5.305 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.667 3.219 4.939 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.925 1.064 6.485 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.077 2.380 6.816 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.365 2.560 7.271 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.197 1.797 3.003 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.547 2.903 2.652 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.871 1.193 3.024 1.00 0.00 H new ATOM 1050 N LYS A 62 5.247 4.865 4.811 1.00 0.00 N ATOM 1051 CA LYS A 62 6.617 5.205 5.183 1.00 0.00 C ATOM 1052 C LYS A 62 7.167 6.295 4.266 1.00 0.00 C ATOM 1053 O LYS A 62 6.558 6.626 3.249 1.00 0.00 O ATOM 1054 CB LYS A 62 7.504 3.960 5.115 1.00 0.00 C ATOM 1055 CG LYS A 62 6.964 2.784 5.910 1.00 0.00 C ATOM 1056 CD LYS A 62 8.044 1.747 6.174 1.00 0.00 C ATOM 1057 CE LYS A 62 9.045 2.236 7.209 1.00 0.00 C ATOM 1058 NZ LYS A 62 8.398 2.508 8.522 1.00 0.00 N ATOM 0 H LYS A 62 5.081 4.826 3.805 1.00 0.00 H new ATOM 0 HA LYS A 62 6.615 5.583 6.205 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.618 3.662 4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.498 4.212 5.485 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.560 3.139 6.858 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.140 2.323 5.365 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.584 0.821 6.520 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.564 1.517 5.244 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.828 1.489 7.338 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.527 3.144 6.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.027 2.197 9.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.216 3.528 8.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.498 1.990 8.580 1.00 0.00 H new ATOM 1072 N PRO A 63 8.331 6.873 4.614 1.00 0.00 N ATOM 1073 CA PRO A 63 8.961 7.933 3.819 1.00 0.00 C ATOM 1074 C PRO A 63 9.516 7.430 2.487 1.00 0.00 C ATOM 1075 O PRO A 63 10.070 8.204 1.706 1.00 0.00 O ATOM 1076 CB PRO A 63 10.103 8.443 4.715 1.00 0.00 C ATOM 1077 CG PRO A 63 9.867 7.831 6.057 1.00 0.00 C ATOM 1078 CD PRO A 63 9.124 6.552 5.807 1.00 0.00 C ATOM 0 HA PRO A 63 8.238 8.703 3.549 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.074 8.150 4.316 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.098 9.531 4.774 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.810 7.640 6.569 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.288 8.500 6.694 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.802 5.717 5.631 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.493 6.278 6.652 1.00 0.00 H new ATOM 1086 N ASP A 64 9.363 6.137 2.234 1.00 0.00 N ATOM 1087 CA ASP A 64 9.847 5.536 0.996 1.00 0.00 C ATOM 1088 C ASP A 64 8.889 4.454 0.506 1.00 0.00 C ATOM 1089 O ASP A 64 9.299 3.512 -0.173 1.00 0.00 O ATOM 1090 CB ASP A 64 11.241 4.943 1.205 1.00 0.00 C ATOM 1091 CG ASP A 64 12.263 5.992 1.596 1.00 0.00 C ATOM 1092 OD1 ASP A 64 12.876 6.592 0.687 1.00 0.00 O ATOM 1093 OD2 ASP A 64 12.451 6.213 2.811 1.00 0.00 O ATOM 0 H ASP A 64 8.907 5.483 2.870 1.00 0.00 H new ATOM 0 HA ASP A 64 9.902 6.317 0.238 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.195 4.178 1.980 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.564 4.449 0.289 1.00 0.00 H new ATOM 1098 N VAL A 65 7.614 4.593 0.854 1.00 0.00 N ATOM 1099 CA VAL A 65 6.602 3.625 0.447 1.00 0.00 C ATOM 1100 C VAL A 65 5.306 4.316 0.042 1.00 0.00 C ATOM 1101 O VAL A 65 4.989 5.402 0.528 1.00 0.00 O ATOM 1102 CB VAL A 65 6.299 2.619 1.574 1.00 0.00 C ATOM 1103 CG1 VAL A 65 5.340 1.541 1.090 1.00 0.00 C ATOM 1104 CG2 VAL A 65 7.585 2.000 2.093 1.00 0.00 C ATOM 0 H VAL A 65 7.257 5.366 1.416 1.00 0.00 H new ATOM 0 HA VAL A 65 7.009 3.090 -0.411 1.00 0.00 H new ATOM 0 HB VAL A 65 5.820 3.155 2.394 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.140 0.841 1.901 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.406 2.002 0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.787 1.006 0.252 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.353 1.292 2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.092 1.480 1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.234 2.784 2.483 1.00 0.00 H new ATOM 1114 N LEU A 66 4.558 3.672 -0.848 1.00 0.00 N ATOM 1115 CA LEU A 66 3.290 4.217 -1.321 1.00 0.00 C ATOM 1116 C LEU A 66 2.312 3.092 -1.648 1.00 0.00 C ATOM 1117 O LEU A 66 2.399 2.467 -2.706 1.00 0.00 O ATOM 1118 CB LEU A 66 3.503 5.097 -2.557 1.00 0.00 C ATOM 1119 CG LEU A 66 4.868 5.786 -2.645 1.00 0.00 C ATOM 1120 CD1 LEU A 66 5.146 6.231 -4.073 1.00 0.00 C ATOM 1121 CD2 LEU A 66 4.931 6.971 -1.693 1.00 0.00 C ATOM 0 H LEU A 66 4.808 2.771 -1.257 1.00 0.00 H new ATOM 0 HA LEU A 66 2.870 4.831 -0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.367 4.483 -3.447 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.727 5.862 -2.576 1.00 0.00 H new ATOM 0 HG LEU A 66 5.636 5.071 -2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.120 6.719 -4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.144 5.363 -4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.374 6.931 -4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.908 7.448 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.155 7.690 -1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.775 6.625 -0.671 1.00 0.00 H new ATOM 1133 N LEU A 67 1.388 2.835 -0.730 1.00 0.00 N ATOM 1134 CA LEU A 67 0.396 1.783 -0.910 1.00 0.00 C ATOM 1135 C LEU A 67 -0.921 2.354 -1.429 1.00 0.00 C ATOM 1136 O LEU A 67 -1.439 3.336 -0.895 1.00 0.00 O ATOM 1137 CB LEU A 67 0.168 1.049 0.415 1.00 0.00 C ATOM 1138 CG LEU A 67 -1.005 0.063 0.441 1.00 0.00 C ATOM 1139 CD1 LEU A 67 -1.087 -0.726 -0.861 1.00 0.00 C ATOM 1140 CD2 LEU A 67 -0.877 -0.880 1.627 1.00 0.00 C ATOM 0 H LEU A 67 1.305 3.344 0.150 1.00 0.00 H new ATOM 0 HA LEU A 67 0.774 1.078 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.079 0.507 0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.010 1.792 1.197 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.927 0.635 0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.928 -1.418 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.228 -0.038 -1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.164 -1.287 -1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.717 -1.574 1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.055 -1.439 1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.877 -0.303 2.552 1.00 0.00 H new ATOM 1152 N VAL A 68 -1.459 1.729 -2.473 1.00 0.00 N ATOM 1153 CA VAL A 68 -2.715 2.165 -3.066 1.00 0.00 C ATOM 1154 C VAL A 68 -3.847 1.210 -2.705 1.00 0.00 C ATOM 1155 O VAL A 68 -3.677 -0.010 -2.741 1.00 0.00 O ATOM 1156 CB VAL A 68 -2.604 2.265 -4.601 1.00 0.00 C ATOM 1157 CG1 VAL A 68 -3.907 2.766 -5.210 1.00 0.00 C ATOM 1158 CG2 VAL A 68 -1.444 3.166 -4.990 1.00 0.00 C ATOM 0 H VAL A 68 -1.041 0.916 -2.926 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.936 3.153 -2.663 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.413 1.267 -4.996 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.802 2.828 -6.293 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.714 2.076 -4.962 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.139 3.754 -4.811 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.379 3.226 -6.076 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.604 4.163 -4.580 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.516 2.756 -4.593 1.00 0.00 H new ATOM 1168 N TYR A 69 -5.000 1.768 -2.356 1.00 0.00 N ATOM 1169 CA TYR A 69 -6.158 0.961 -1.987 1.00 0.00 C ATOM 1170 C TYR A 69 -7.458 1.709 -2.258 1.00 0.00 C ATOM 1171 O TYR A 69 -7.460 2.926 -2.445 1.00 0.00 O ATOM 1172 CB TYR A 69 -6.078 0.567 -0.512 1.00 0.00 C ATOM 1173 CG TYR A 69 -6.131 1.746 0.433 1.00 0.00 C ATOM 1174 CD1 TYR A 69 -7.348 2.289 0.830 1.00 0.00 C ATOM 1175 CD2 TYR A 69 -4.966 2.314 0.931 1.00 0.00 C ATOM 1176 CE1 TYR A 69 -7.400 3.366 1.695 1.00 0.00 C ATOM 1177 CE2 TYR A 69 -5.010 3.391 1.797 1.00 0.00 C ATOM 1178 CZ TYR A 69 -6.229 3.912 2.174 1.00 0.00 C ATOM 1179 OH TYR A 69 -6.278 4.985 3.036 1.00 0.00 O ATOM 0 H TYR A 69 -5.159 2.775 -2.321 1.00 0.00 H new ATOM 0 HA TYR A 69 -6.150 0.059 -2.599 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.900 -0.111 -0.281 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -5.153 0.016 -0.341 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.267 1.862 0.457 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -4.009 1.908 0.637 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.353 3.777 1.994 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.095 3.821 2.176 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.367 5.250 3.281 1.00 0.00 H new ATOM 1189 N LEU A 70 -8.565 0.972 -2.275 1.00 0.00 N ATOM 1190 CA LEU A 70 -9.877 1.562 -2.521 1.00 0.00 C ATOM 1191 C LEU A 70 -10.694 1.626 -1.234 1.00 0.00 C ATOM 1192 O LEU A 70 -10.270 1.122 -0.194 1.00 0.00 O ATOM 1193 CB LEU A 70 -10.632 0.754 -3.581 1.00 0.00 C ATOM 1194 CG LEU A 70 -11.315 1.588 -4.665 1.00 0.00 C ATOM 1195 CD1 LEU A 70 -10.291 2.126 -5.651 1.00 0.00 C ATOM 1196 CD2 LEU A 70 -12.369 0.762 -5.386 1.00 0.00 C ATOM 0 H LEU A 70 -8.579 -0.036 -2.121 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.729 2.578 -2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.933 0.067 -4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.387 0.145 -3.083 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.808 2.435 -4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.797 2.717 -6.415 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.573 2.753 -5.123 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.768 1.294 -6.123 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.846 1.371 -6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.898 -0.104 -5.850 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.120 0.427 -4.671 1.00 0.00 H new ATOM 1208 N VAL A 71 -11.865 2.249 -1.310 1.00 0.00 N ATOM 1209 CA VAL A 71 -12.738 2.378 -0.150 1.00 0.00 C ATOM 1210 C VAL A 71 -14.122 1.800 -0.432 1.00 0.00 C ATOM 1211 O VAL A 71 -14.795 2.212 -1.376 1.00 0.00 O ATOM 1212 CB VAL A 71 -12.889 3.850 0.280 1.00 0.00 C ATOM 1213 CG1 VAL A 71 -13.632 3.947 1.602 1.00 0.00 C ATOM 1214 CG2 VAL A 71 -11.525 4.519 0.375 1.00 0.00 C ATOM 0 H VAL A 71 -12.231 2.672 -2.163 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.270 1.816 0.658 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.474 4.373 -0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.729 4.994 1.889 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.623 3.507 1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.077 3.410 2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -11.650 5.558 0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.914 3.996 1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.033 4.483 -0.597 1.00 0.00 H new ATOM 1224 N LYS A 72 -14.539 0.846 0.392 1.00 0.00 N ATOM 1225 CA LYS A 72 -15.842 0.213 0.233 1.00 0.00 C ATOM 1226 C LYS A 72 -16.854 0.806 1.210 1.00 0.00 C ATOM 1227 O LYS A 72 -16.481 1.427 2.206 1.00 0.00 O ATOM 1228 CB LYS A 72 -15.729 -1.299 0.445 1.00 0.00 C ATOM 1229 CG LYS A 72 -16.203 -2.116 -0.746 1.00 0.00 C ATOM 1230 CD LYS A 72 -15.302 -1.915 -1.953 1.00 0.00 C ATOM 1231 CE LYS A 72 -15.481 -3.026 -2.974 1.00 0.00 C ATOM 1232 NZ LYS A 72 -16.830 -2.992 -3.603 1.00 0.00 N ATOM 0 H LYS A 72 -13.993 0.494 1.178 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.191 0.402 -0.782 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.690 -1.551 0.658 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.312 -1.579 1.323 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.224 -3.172 -0.479 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -17.224 -1.831 -1.001 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.523 -0.954 -2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.262 -1.881 -1.630 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.718 -2.935 -3.747 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.331 -3.991 -2.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.911 -3.766 -4.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.558 -3.105 -2.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.965 -2.081 -4.087 1.00 0.00 H new ATOM 1246 N ASP A 73 -18.139 0.612 0.916 1.00 0.00 N ATOM 1247 CA ASP A 73 -19.214 1.129 1.763 1.00 0.00 C ATOM 1248 C ASP A 73 -18.929 0.884 3.242 1.00 0.00 C ATOM 1249 O ASP A 73 -19.027 1.796 4.062 1.00 0.00 O ATOM 1250 CB ASP A 73 -20.546 0.482 1.379 1.00 0.00 C ATOM 1251 CG ASP A 73 -21.242 1.214 0.249 1.00 0.00 C ATOM 1252 OD1 ASP A 73 -21.463 2.437 0.379 1.00 0.00 O ATOM 1253 OD2 ASP A 73 -21.567 0.565 -0.768 1.00 0.00 O ATOM 0 H ASP A 73 -18.462 0.099 0.096 1.00 0.00 H new ATOM 0 HA ASP A 73 -19.272 2.206 1.603 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -20.372 -0.553 1.085 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -21.200 0.460 2.251 1.00 0.00 H new ATOM 1258 N ASP A 74 -18.574 -0.352 3.577 1.00 0.00 N ATOM 1259 CA ASP A 74 -18.274 -0.713 4.956 1.00 0.00 C ATOM 1260 C ASP A 74 -17.046 -1.616 5.028 1.00 0.00 C ATOM 1261 O ASP A 74 -16.914 -2.428 5.942 1.00 0.00 O ATOM 1262 CB ASP A 74 -19.476 -1.412 5.596 1.00 0.00 C ATOM 1263 CG ASP A 74 -20.308 -0.470 6.444 1.00 0.00 C ATOM 1264 OD1 ASP A 74 -20.506 0.689 6.023 1.00 0.00 O ATOM 1265 OD2 ASP A 74 -20.762 -0.891 7.529 1.00 0.00 O ATOM 0 H ASP A 74 -18.487 -1.120 2.912 1.00 0.00 H new ATOM 0 HA ASP A 74 -18.061 0.203 5.507 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -20.102 -1.841 4.814 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -19.126 -2.239 6.214 1.00 0.00 H new ATOM 1270 N GLU A 75 -16.150 -1.466 4.056 1.00 0.00 N ATOM 1271 CA GLU A 75 -14.933 -2.267 4.010 1.00 0.00 C ATOM 1272 C GLU A 75 -13.850 -1.562 3.199 1.00 0.00 C ATOM 1273 O GLU A 75 -14.111 -0.560 2.535 1.00 0.00 O ATOM 1274 CB GLU A 75 -15.226 -3.641 3.402 1.00 0.00 C ATOM 1275 CG GLU A 75 -16.056 -4.541 4.302 1.00 0.00 C ATOM 1276 CD GLU A 75 -17.545 -4.407 4.052 1.00 0.00 C ATOM 1277 OE1 GLU A 75 -17.940 -3.521 3.264 1.00 0.00 O ATOM 1278 OE2 GLU A 75 -18.318 -5.189 4.644 1.00 0.00 O ATOM 0 H GLU A 75 -16.245 -0.798 3.291 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.573 -2.397 5.031 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.749 -3.506 2.455 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.282 -4.138 3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.758 -5.578 4.147 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.844 -4.301 5.344 1.00 0.00 H new ATOM 1285 N LEU A 76 -12.635 -2.094 3.257 1.00 0.00 N ATOM 1286 CA LEU A 76 -11.512 -1.522 2.527 1.00 0.00 C ATOM 1287 C LEU A 76 -10.786 -2.597 1.728 1.00 0.00 C ATOM 1288 O LEU A 76 -10.624 -3.725 2.193 1.00 0.00 O ATOM 1289 CB LEU A 76 -10.539 -0.840 3.490 1.00 0.00 C ATOM 1290 CG LEU A 76 -9.526 0.101 2.829 1.00 0.00 C ATOM 1291 CD1 LEU A 76 -9.583 1.484 3.463 1.00 0.00 C ATOM 1292 CD2 LEU A 76 -8.120 -0.471 2.926 1.00 0.00 C ATOM 0 H LEU A 76 -12.403 -2.923 3.804 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.902 -0.777 1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.114 -0.274 4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.994 -1.609 4.037 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.787 0.195 1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.856 2.136 2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.583 1.900 3.339 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.351 1.407 4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.416 0.212 2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.851 -0.599 3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.085 -1.437 2.422 1.00 0.00 H new ATOM 1304 N ILE A 77 -10.354 -2.246 0.522 1.00 0.00 N ATOM 1305 CA ILE A 77 -9.651 -3.189 -0.339 1.00 0.00 C ATOM 1306 C ILE A 77 -8.342 -2.600 -0.858 1.00 0.00 C ATOM 1307 O ILE A 77 -8.310 -1.474 -1.353 1.00 0.00 O ATOM 1308 CB ILE A 77 -10.525 -3.612 -1.538 1.00 0.00 C ATOM 1309 CG1 ILE A 77 -10.769 -2.425 -2.473 1.00 0.00 C ATOM 1310 CG2 ILE A 77 -11.847 -4.187 -1.051 1.00 0.00 C ATOM 1311 CD1 ILE A 77 -9.807 -2.370 -3.641 1.00 0.00 C ATOM 0 H ILE A 77 -10.478 -1.317 0.119 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.430 -4.066 0.270 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.995 -4.383 -2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.789 -2.476 -2.854 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -10.688 -1.500 -1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -12.453 -4.481 -1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -11.656 -5.059 -0.425 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -12.380 -3.434 -0.471 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.038 -1.504 -4.262 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.786 -2.287 -3.268 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.904 -3.279 -4.235 1.00 0.00 H new ATOM 1323 N LEU A 78 -7.267 -3.372 -0.743 1.00 0.00 N ATOM 1324 CA LEU A 78 -5.956 -2.929 -1.205 1.00 0.00 C ATOM 1325 C LEU A 78 -5.889 -2.949 -2.729 1.00 0.00 C ATOM 1326 O LEU A 78 -6.663 -3.647 -3.383 1.00 0.00 O ATOM 1327 CB LEU A 78 -4.858 -3.819 -0.620 1.00 0.00 C ATOM 1328 CG LEU A 78 -4.661 -3.695 0.892 1.00 0.00 C ATOM 1329 CD1 LEU A 78 -3.539 -4.606 1.361 1.00 0.00 C ATOM 1330 CD2 LEU A 78 -4.375 -2.251 1.274 1.00 0.00 C ATOM 0 H LEU A 78 -7.277 -4.307 -0.334 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.800 -1.906 -0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.089 -4.858 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.916 -3.581 -1.115 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.582 -4.005 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.414 -4.504 2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.786 -5.640 1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.612 -4.328 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.237 -2.180 2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.469 -1.914 0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.213 -1.622 0.973 1.00 0.00 H new ATOM 1342 N LEU A 79 -4.962 -2.179 -3.288 1.00 0.00 N ATOM 1343 CA LEU A 79 -4.800 -2.110 -4.736 1.00 0.00 C ATOM 1344 C LEU A 79 -3.411 -2.582 -5.155 1.00 0.00 C ATOM 1345 O LEU A 79 -3.243 -3.710 -5.621 1.00 0.00 O ATOM 1346 CB LEU A 79 -5.046 -0.682 -5.231 1.00 0.00 C ATOM 1347 CG LEU A 79 -6.243 -0.519 -6.172 1.00 0.00 C ATOM 1348 CD1 LEU A 79 -6.156 -1.503 -7.331 1.00 0.00 C ATOM 1349 CD2 LEU A 79 -7.546 -0.703 -5.407 1.00 0.00 C ATOM 0 H LEU A 79 -4.312 -1.595 -2.762 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.536 -2.773 -5.191 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.192 -0.034 -4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.150 -0.332 -5.744 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.223 0.490 -6.583 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.016 -1.370 -7.987 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.240 -1.323 -7.893 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.150 -2.522 -6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.388 -0.584 -6.089 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.572 -1.700 -4.968 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.612 0.044 -4.616 1.00 0.00 H new ATOM 1361 N ARG A 80 -2.417 -1.715 -4.990 1.00 0.00 N ATOM 1362 CA ARG A 80 -1.045 -2.049 -5.355 1.00 0.00 C ATOM 1363 C ARG A 80 -0.043 -1.282 -4.499 1.00 0.00 C ATOM 1364 O ARG A 80 -0.400 -0.334 -3.802 1.00 0.00 O ATOM 1365 CB ARG A 80 -0.802 -1.745 -6.834 1.00 0.00 C ATOM 1366 CG ARG A 80 -1.367 -0.407 -7.280 1.00 0.00 C ATOM 1367 CD ARG A 80 -2.702 -0.577 -7.985 1.00 0.00 C ATOM 1368 NE ARG A 80 -2.554 -1.227 -9.285 1.00 0.00 N ATOM 1369 CZ ARG A 80 -3.445 -1.130 -10.270 1.00 0.00 C ATOM 1370 NH1 ARG A 80 -4.549 -0.411 -10.109 1.00 0.00 N ATOM 1371 NH2 ARG A 80 -3.230 -1.753 -11.420 1.00 0.00 N ATOM 0 H ARG A 80 -2.536 -0.777 -4.607 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.902 -3.115 -5.177 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.270 -1.760 -7.028 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.246 -2.537 -7.437 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -1.491 0.244 -6.415 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.660 0.083 -7.949 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -3.371 -1.167 -7.358 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -3.169 0.399 -8.118 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.718 -1.789 -9.448 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -4.719 0.072 -9.227 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -5.227 -0.341 -10.868 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -2.383 -2.306 -11.550 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.912 -1.679 -12.175 1.00 0.00 H new ATOM 1385 N LEU A 81 1.216 -1.703 -4.561 1.00 0.00 N ATOM 1386 CA LEU A 81 2.280 -1.061 -3.798 1.00 0.00 C ATOM 1387 C LEU A 81 3.283 -0.390 -4.731 1.00 0.00 C ATOM 1388 O LEU A 81 3.657 -0.950 -5.761 1.00 0.00 O ATOM 1389 CB LEU A 81 2.995 -2.087 -2.916 1.00 0.00 C ATOM 1390 CG LEU A 81 3.808 -1.501 -1.761 1.00 0.00 C ATOM 1391 CD1 LEU A 81 4.978 -0.685 -2.289 1.00 0.00 C ATOM 1392 CD2 LEU A 81 2.922 -0.648 -0.865 1.00 0.00 C ATOM 0 H LEU A 81 1.525 -2.488 -5.134 1.00 0.00 H new ATOM 0 HA LEU A 81 1.831 -0.298 -3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.251 -2.770 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.661 -2.680 -3.543 1.00 0.00 H new ATOM 0 HG LEU A 81 4.206 -2.325 -1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.544 -0.277 -1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.627 -1.324 -2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.603 0.131 -2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.517 -0.239 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.495 0.169 -1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.119 -1.262 -0.457 1.00 0.00 H new ATOM 1404 N GLY A 82 3.712 0.816 -4.368 1.00 0.00 N ATOM 1405 CA GLY A 82 4.664 1.540 -5.191 1.00 0.00 C ATOM 1406 C GLY A 82 5.694 2.291 -4.370 1.00 0.00 C ATOM 1407 O GLY A 82 5.711 2.194 -3.142 1.00 0.00 O ATOM 0 H GLY A 82 3.418 1.303 -3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.173 0.839 -5.852 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.127 2.245 -5.826 1.00 0.00 H new ATOM 1411 N SER A 83 6.555 3.040 -5.050 1.00 0.00 N ATOM 1412 CA SER A 83 7.594 3.812 -4.380 1.00 0.00 C ATOM 1413 C SER A 83 7.777 5.172 -5.047 1.00 0.00 C ATOM 1414 O SER A 83 7.047 5.523 -5.974 1.00 0.00 O ATOM 1415 CB SER A 83 8.917 3.043 -4.391 1.00 0.00 C ATOM 1416 OG SER A 83 9.595 3.176 -3.154 1.00 0.00 O ATOM 0 H SER A 83 6.554 3.129 -6.066 1.00 0.00 H new ATOM 0 HA SER A 83 7.284 3.973 -3.348 1.00 0.00 H new ATOM 0 HB2 SER A 83 8.727 1.989 -4.593 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.550 3.413 -5.198 1.00 0.00 H new ATOM 0 HG SER A 83 10.436 2.674 -3.186 1.00 0.00 H new ATOM 1422 N HIS A 84 8.756 5.933 -4.568 1.00 0.00 N ATOM 1423 CA HIS A 84 9.035 7.256 -5.117 1.00 0.00 C ATOM 1424 C HIS A 84 9.576 7.159 -6.540 1.00 0.00 C ATOM 1425 O HIS A 84 9.404 8.076 -7.342 1.00 0.00 O ATOM 1426 CB HIS A 84 10.035 7.998 -4.229 1.00 0.00 C ATOM 1427 CG HIS A 84 9.993 9.486 -4.395 1.00 0.00 C ATOM 1428 ND1 HIS A 84 9.851 10.104 -5.618 1.00 0.00 N ATOM 1429 CD2 HIS A 84 10.071 10.482 -3.480 1.00 0.00 C ATOM 1430 CE1 HIS A 84 9.846 11.414 -5.451 1.00 0.00 C ATOM 1431 NE2 HIS A 84 9.978 11.669 -4.163 1.00 0.00 N ATOM 0 H HIS A 84 9.369 5.657 -3.801 1.00 0.00 H new ATOM 0 HA HIS A 84 8.098 7.812 -5.145 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.836 7.751 -3.186 1.00 0.00 H new ATOM 0 HB3 HIS A 84 11.041 7.644 -4.454 1.00 0.00 H new ATOM 0 HD1 HIS A 84 9.763 9.624 -6.514 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.185 10.364 -2.413 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.750 12.151 -6.235 1.00 0.00 H new ATOM 1440 N SER A 85 10.232 6.044 -6.848 1.00 0.00 N ATOM 1441 CA SER A 85 10.797 5.833 -8.176 1.00 0.00 C ATOM 1442 C SER A 85 9.791 5.153 -9.099 1.00 0.00 C ATOM 1443 O SER A 85 9.839 5.325 -10.318 1.00 0.00 O ATOM 1444 CB SER A 85 12.070 4.990 -8.082 1.00 0.00 C ATOM 1445 OG SER A 85 13.220 5.812 -7.985 1.00 0.00 O ATOM 0 H SER A 85 10.385 5.274 -6.197 1.00 0.00 H new ATOM 0 HA SER A 85 11.043 6.808 -8.596 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.013 4.335 -7.213 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.151 4.348 -8.959 1.00 0.00 H new ATOM 0 HG SER A 85 14.020 5.249 -7.924 1.00 0.00 H new ATOM 1451 N GLU A 86 8.883 4.379 -8.516 1.00 0.00 N ATOM 1452 CA GLU A 86 7.870 3.671 -9.289 1.00 0.00 C ATOM 1453 C GLU A 86 6.718 4.601 -9.664 1.00 0.00 C ATOM 1454 O GLU A 86 6.601 5.029 -10.811 1.00 0.00 O ATOM 1455 CB GLU A 86 7.342 2.470 -8.500 1.00 0.00 C ATOM 1456 CG GLU A 86 7.752 1.130 -9.088 1.00 0.00 C ATOM 1457 CD GLU A 86 6.811 0.009 -8.692 1.00 0.00 C ATOM 1458 OE1 GLU A 86 6.390 -0.026 -7.517 1.00 0.00 O ATOM 1459 OE2 GLU A 86 6.495 -0.834 -9.557 1.00 0.00 O ATOM 0 H GLU A 86 8.828 4.226 -7.509 1.00 0.00 H new ATOM 0 HA GLU A 86 8.335 3.315 -10.208 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.703 2.533 -7.473 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.254 2.522 -8.459 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.782 1.208 -10.175 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.762 0.886 -8.758 1.00 0.00 H new ATOM 1466 N LEU A 87 5.869 4.906 -8.688 1.00 0.00 N ATOM 1467 CA LEU A 87 4.728 5.782 -8.916 1.00 0.00 C ATOM 1468 C LEU A 87 5.183 7.206 -9.216 1.00 0.00 C ATOM 1469 O LEU A 87 4.601 7.891 -10.057 1.00 0.00 O ATOM 1470 CB LEU A 87 3.802 5.779 -7.698 1.00 0.00 C ATOM 1471 CG LEU A 87 3.441 4.392 -7.162 1.00 0.00 C ATOM 1472 CD1 LEU A 87 2.633 4.509 -5.880 1.00 0.00 C ATOM 1473 CD2 LEU A 87 2.671 3.601 -8.209 1.00 0.00 C ATOM 0 H LEU A 87 5.950 4.559 -7.732 1.00 0.00 H new ATOM 0 HA LEU A 87 4.183 5.404 -9.781 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.276 6.348 -6.899 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.882 6.302 -7.959 1.00 0.00 H new ATOM 0 HG LEU A 87 4.364 3.858 -6.937 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.385 3.513 -5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.219 5.037 -5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.714 5.061 -6.078 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.422 2.617 -7.811 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.754 4.132 -8.464 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.285 3.487 -9.103 1.00 0.00 H new ATOM 1485 N PHE A 88 6.227 7.647 -8.522 1.00 0.00 N ATOM 1486 CA PHE A 88 6.761 8.990 -8.716 1.00 0.00 C ATOM 1487 C PHE A 88 8.038 8.956 -9.548 1.00 0.00 C ATOM 1488 O PHE A 88 8.544 7.844 -9.807 1.00 0.00 O ATOM 1489 CB PHE A 88 7.036 9.651 -7.363 1.00 0.00 C ATOM 1490 CG PHE A 88 5.813 10.249 -6.727 1.00 0.00 C ATOM 1491 CD1 PHE A 88 5.138 11.294 -7.337 1.00 0.00 C ATOM 1492 CD2 PHE A 88 5.341 9.767 -5.518 1.00 0.00 C ATOM 1493 CE1 PHE A 88 4.014 11.846 -6.755 1.00 0.00 C ATOM 1494 CE2 PHE A 88 4.216 10.315 -4.929 1.00 0.00 C ATOM 1495 CZ PHE A 88 3.553 11.355 -5.549 1.00 0.00 C ATOM 1496 OXT PHE A 88 8.524 10.040 -9.932 1.00 0.00 O ATOM 0 H PHE A 88 6.720 7.094 -7.821 1.00 0.00 H new ATOM 0 HA PHE A 88 6.016 9.575 -9.255 1.00 0.00 H new ATOM 0 HB2 PHE A 88 7.462 8.911 -6.686 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.785 10.431 -7.495 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.495 11.682 -8.280 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.857 8.954 -5.029 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.497 12.660 -7.242 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.857 9.930 -3.986 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.674 11.785 -5.091 1.00 0.00 H new