USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 475 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 Single : A 29 GLN : amide:sc= 0.787 K(o=0.79,f=-0.2) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -169:sc= 2.36 (180deg=2.29) USER MOD Single : A 32 CYS SG : rot -160:sc= -3.68! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= 0.523 K(o=0.52,f=-3.2!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -123:sc= 0.793 (180deg=-0.625!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0459 X(o=-0.046,f=-0.34) USER MOD Single : A 68 GLN : amide:sc= 0.971 K(o=0.97,f=-5.3!) USER MOD Single : A 71 MET CE :methyl 172:sc= -0.0511 (180deg=-0.199) USER MOD Single : A 77 LYS NZ :NH3+ -138:sc= 1.26 (180deg=-1.05) USER MOD Single : A 91 LYS NZ :NH3+ 157:sc= 1.19 (180deg=1.1) USER MOD Single : A 92 LYS NZ :NH3+ 177:sc= 1.23 (180deg=1.2) USER MOD ----------------------------------------------------------------- ATOM 19 N ASP A 23 -12.302 3.184 -1.960 1.00 0.00 N ATOM 20 CA ASP A 23 -12.140 1.837 -2.462 1.00 0.00 C ATOM 21 C ASP A 23 -10.661 1.496 -2.414 1.00 0.00 C ATOM 22 O ASP A 23 -9.873 1.890 -3.273 1.00 0.00 O ATOM 23 CB ASP A 23 -12.714 1.783 -3.878 1.00 0.00 C ATOM 24 CG ASP A 23 -14.186 2.147 -3.835 1.00 0.00 C ATOM 25 OD1 ASP A 23 -14.436 3.358 -3.625 1.00 0.00 O ATOM 26 OD2 ASP A 23 -15.014 1.218 -3.919 1.00 0.00 O ATOM 0 HA ASP A 23 -12.674 1.101 -1.861 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.176 2.473 -4.528 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.586 0.785 -4.297 1.00 0.00 H new ATOM 31 N ALA A 24 -10.296 0.783 -1.352 1.00 0.00 N ATOM 32 CA ALA A 24 -8.923 0.501 -1.004 1.00 0.00 C ATOM 33 C ALA A 24 -8.150 -0.041 -2.197 1.00 0.00 C ATOM 34 O ALA A 24 -7.098 0.483 -2.565 1.00 0.00 O ATOM 35 CB ALA A 24 -8.900 -0.510 0.128 1.00 0.00 C ATOM 0 H ALA A 24 -10.969 0.380 -0.700 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.444 1.428 -0.691 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.867 -0.730 0.398 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.422 -0.100 0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.394 -1.427 -0.193 1.00 0.00 H new ATOM 41 N GLU A 25 -8.686 -1.093 -2.815 1.00 0.00 N ATOM 42 CA GLU A 25 -8.019 -1.685 -3.950 1.00 0.00 C ATOM 43 C GLU A 25 -7.890 -0.656 -5.065 1.00 0.00 C ATOM 44 O GLU A 25 -6.812 -0.540 -5.622 1.00 0.00 O ATOM 45 CB GLU A 25 -8.668 -3.009 -4.363 1.00 0.00 C ATOM 46 CG GLU A 25 -9.700 -2.896 -5.479 1.00 0.00 C ATOM 47 CD GLU A 25 -10.395 -4.230 -5.733 1.00 0.00 C ATOM 48 OE1 GLU A 25 -9.998 -5.219 -5.076 1.00 0.00 O ATOM 49 OE2 GLU A 25 -11.322 -4.226 -6.568 1.00 0.00 O ATOM 0 H GLU A 25 -9.564 -1.539 -2.548 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.002 -1.966 -3.676 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.885 -3.698 -4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.146 -3.451 -3.489 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.442 -2.142 -5.215 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.213 -2.558 -6.394 1.00 0.00 H new ATOM 56 N ALA A 26 -8.930 0.138 -5.354 1.00 0.00 N ATOM 57 CA ALA A 26 -8.852 1.185 -6.368 1.00 0.00 C ATOM 58 C ALA A 26 -7.658 2.095 -6.094 1.00 0.00 C ATOM 59 O ALA A 26 -6.849 2.329 -6.988 1.00 0.00 O ATOM 60 CB ALA A 26 -10.145 1.997 -6.455 1.00 0.00 C ATOM 0 H ALA A 26 -9.838 0.070 -4.894 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.714 0.700 -7.334 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.042 2.764 -7.222 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.973 1.336 -6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.343 2.470 -5.493 1.00 0.00 H new ATOM 66 N VAL A 27 -7.512 2.558 -4.847 1.00 0.00 N ATOM 67 CA VAL A 27 -6.325 3.301 -4.442 1.00 0.00 C ATOM 68 C VAL A 27 -5.083 2.500 -4.831 1.00 0.00 C ATOM 69 O VAL A 27 -4.268 2.999 -5.608 1.00 0.00 O ATOM 70 CB VAL A 27 -6.350 3.674 -2.946 1.00 0.00 C ATOM 71 CG1 VAL A 27 -5.113 4.495 -2.553 1.00 0.00 C ATOM 72 CG2 VAL A 27 -7.595 4.496 -2.594 1.00 0.00 C ATOM 0 H VAL A 27 -8.202 2.429 -4.107 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.304 4.255 -4.969 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.361 2.733 -2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.162 4.741 -1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.213 3.913 -2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.085 5.414 -3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.581 4.742 -1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.601 5.416 -3.179 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.490 3.916 -2.820 1.00 0.00 H new ATOM 82 N VAL A 28 -4.918 1.253 -4.371 1.00 0.00 N ATOM 83 CA VAL A 28 -3.670 0.570 -4.670 1.00 0.00 C ATOM 84 C VAL A 28 -3.607 0.033 -6.100 1.00 0.00 C ATOM 85 O VAL A 28 -2.579 -0.492 -6.498 1.00 0.00 O ATOM 86 CB VAL A 28 -3.361 -0.462 -3.594 1.00 0.00 C ATOM 87 CG1 VAL A 28 -1.884 -0.855 -3.496 1.00 0.00 C ATOM 88 CG2 VAL A 28 -3.731 0.066 -2.205 1.00 0.00 C ATOM 0 H VAL A 28 -5.596 0.726 -3.821 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.864 1.303 -4.640 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.950 -1.329 -3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.756 -1.594 -2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.557 -1.280 -4.445 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.287 0.028 -3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.500 -0.690 -1.455 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.160 0.971 -1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.796 0.294 -2.174 1.00 0.00 H new ATOM 98 N GLN A 29 -4.666 0.211 -6.886 1.00 0.00 N ATOM 99 CA GLN A 29 -4.761 -0.100 -8.300 1.00 0.00 C ATOM 100 C GLN A 29 -4.576 1.164 -9.149 1.00 0.00 C ATOM 101 O GLN A 29 -4.645 1.075 -10.372 1.00 0.00 O ATOM 102 CB GLN A 29 -6.084 -0.842 -8.567 1.00 0.00 C ATOM 103 CG GLN A 29 -6.029 -2.290 -8.053 1.00 0.00 C ATOM 104 CD GLN A 29 -5.053 -3.137 -8.869 1.00 0.00 C ATOM 105 OE1 GLN A 29 -5.305 -3.428 -10.033 1.00 0.00 O ATOM 106 NE2 GLN A 29 -3.924 -3.514 -8.277 1.00 0.00 N ATOM 0 H GLN A 29 -5.535 0.602 -6.523 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.953 -0.768 -8.597 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.904 -0.313 -8.081 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.294 -0.842 -9.637 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.728 -2.294 -7.005 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.024 -2.732 -8.101 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.746 -3.255 -7.307 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.236 -4.062 -8.793 1.00 0.00 H new ATOM 115 N GLN A 30 -4.328 2.334 -8.537 1.00 0.00 N ATOM 116 CA GLN A 30 -4.098 3.570 -9.289 1.00 0.00 C ATOM 117 C GLN A 30 -2.996 4.477 -8.723 1.00 0.00 C ATOM 118 O GLN A 30 -2.401 5.245 -9.474 1.00 0.00 O ATOM 119 CB GLN A 30 -5.428 4.325 -9.463 1.00 0.00 C ATOM 120 CG GLN A 30 -5.681 4.596 -10.951 1.00 0.00 C ATOM 121 CD GLN A 30 -7.024 5.276 -11.184 1.00 0.00 C ATOM 122 OE1 GLN A 30 -7.974 4.657 -11.650 1.00 0.00 O ATOM 123 NE2 GLN A 30 -7.117 6.566 -10.874 1.00 0.00 N ATOM 0 H GLN A 30 -4.283 2.445 -7.524 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.714 3.269 -10.264 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.247 3.738 -9.046 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.398 5.265 -8.913 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.883 5.224 -11.347 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.650 3.656 -11.502 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.311 7.057 -10.488 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.995 7.064 -11.023 1.00 0.00 H new ATOM 132 N LYS A 31 -2.721 4.418 -7.419 1.00 0.00 N ATOM 133 CA LYS A 31 -1.791 5.303 -6.725 1.00 0.00 C ATOM 134 C LYS A 31 -0.484 4.585 -6.374 1.00 0.00 C ATOM 135 O LYS A 31 0.493 5.239 -6.013 1.00 0.00 O ATOM 136 CB LYS A 31 -2.490 5.873 -5.474 1.00 0.00 C ATOM 137 CG LYS A 31 -2.876 7.341 -5.688 1.00 0.00 C ATOM 138 CD LYS A 31 -3.680 7.869 -4.495 1.00 0.00 C ATOM 139 CE LYS A 31 -3.926 9.379 -4.630 1.00 0.00 C ATOM 140 NZ LYS A 31 -4.373 9.973 -3.358 1.00 0.00 N ATOM 0 H LYS A 31 -3.153 3.732 -6.800 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.514 6.126 -7.384 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.381 5.287 -5.251 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.829 5.788 -4.612 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.977 7.943 -5.822 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.464 7.438 -6.601 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.634 7.345 -4.432 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.142 7.665 -3.569 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.010 9.869 -4.959 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.677 9.558 -5.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.706 10.944 -3.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.149 9.404 -2.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.580 9.991 -2.686 1.00 0.00 H new ATOM 154 N CYS A 32 -0.470 3.251 -6.454 1.00 0.00 N ATOM 155 CA CYS A 32 0.605 2.419 -5.934 1.00 0.00 C ATOM 156 C CYS A 32 1.215 1.544 -7.038 1.00 0.00 C ATOM 157 O CYS A 32 2.443 1.447 -7.142 1.00 0.00 O ATOM 158 CB CYS A 32 0.059 1.600 -4.765 1.00 0.00 C ATOM 159 SG CYS A 32 -1.006 2.561 -3.623 1.00 0.00 S ATOM 0 H CYS A 32 -1.221 2.716 -6.890 1.00 0.00 H new ATOM 0 HA CYS A 32 1.421 3.043 -5.570 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.512 0.759 -5.158 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.895 1.183 -4.203 1.00 0.00 H new ATOM 0 HG CYS A 32 -1.078 1.949 -2.479 1.00 0.00 H new ATOM 164 N ILE A 33 0.369 0.970 -7.912 1.00 0.00 N ATOM 165 CA ILE A 33 0.824 0.207 -9.078 1.00 0.00 C ATOM 166 C ILE A 33 1.881 0.966 -9.874 1.00 0.00 C ATOM 167 O ILE A 33 2.759 0.349 -10.472 1.00 0.00 O ATOM 168 CB ILE A 33 -0.328 -0.189 -10.022 1.00 0.00 C ATOM 169 CG1 ILE A 33 -1.116 1.012 -10.583 1.00 0.00 C ATOM 170 CG2 ILE A 33 -1.275 -1.153 -9.319 1.00 0.00 C ATOM 171 CD1 ILE A 33 -1.972 0.615 -11.789 1.00 0.00 C ATOM 0 H ILE A 33 -0.646 1.024 -7.826 1.00 0.00 H new ATOM 0 HA ILE A 33 1.261 -0.705 -8.672 1.00 0.00 H new ATOM 0 HB ILE A 33 0.137 -0.675 -10.879 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.756 1.424 -9.803 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.421 1.799 -10.874 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.085 -1.426 -9.996 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.729 -2.050 -9.026 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.689 -0.674 -8.432 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.512 1.488 -12.155 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.329 0.228 -12.580 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.685 -0.154 -11.492 1.00 0.00 H new ATOM 183 N SER A 34 1.784 2.301 -9.859 1.00 0.00 N ATOM 184 CA SER A 34 2.708 3.229 -10.486 1.00 0.00 C ATOM 185 C SER A 34 4.164 2.778 -10.308 1.00 0.00 C ATOM 186 O SER A 34 4.949 2.880 -11.248 1.00 0.00 O ATOM 187 CB SER A 34 2.461 4.634 -9.916 1.00 0.00 C ATOM 188 OG SER A 34 2.919 5.625 -10.812 1.00 0.00 O ATOM 0 H SER A 34 1.018 2.778 -9.383 1.00 0.00 H new ATOM 0 HA SER A 34 2.531 3.251 -11.561 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.397 4.773 -9.726 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.972 4.738 -8.959 1.00 0.00 H new ATOM 0 HG SER A 34 2.751 6.513 -10.432 1.00 0.00 H new ATOM 194 N CYS A 35 4.510 2.258 -9.120 1.00 0.00 N ATOM 195 CA CYS A 35 5.832 1.696 -8.860 1.00 0.00 C ATOM 196 C CYS A 35 5.741 0.206 -8.529 1.00 0.00 C ATOM 197 O CYS A 35 6.556 -0.576 -9.009 1.00 0.00 O ATOM 198 CB CYS A 35 6.559 2.485 -7.764 1.00 0.00 C ATOM 199 SG CYS A 35 6.338 4.270 -8.050 1.00 0.00 S ATOM 0 H CYS A 35 3.879 2.218 -8.319 1.00 0.00 H new ATOM 0 HA CYS A 35 6.425 1.787 -9.770 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.167 2.212 -6.784 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.620 2.235 -7.764 1.00 0.00 H new ATOM 0 HG CYS A 35 6.953 4.938 -7.119 1.00 0.00 H new ATOM 204 N HIS A 36 4.765 -0.215 -7.721 1.00 0.00 N ATOM 205 CA HIS A 36 4.691 -1.606 -7.284 1.00 0.00 C ATOM 206 C HIS A 36 4.260 -2.574 -8.394 1.00 0.00 C ATOM 207 O HIS A 36 4.489 -3.778 -8.268 1.00 0.00 O ATOM 208 CB HIS A 36 3.817 -1.699 -6.033 1.00 0.00 C ATOM 209 CG HIS A 36 4.490 -1.121 -4.815 1.00 0.00 C ATOM 210 ND1 HIS A 36 5.422 -1.769 -4.029 1.00 0.00 N ATOM 211 CD2 HIS A 36 4.316 0.141 -4.307 1.00 0.00 C ATOM 212 CE1 HIS A 36 5.782 -0.911 -3.064 1.00 0.00 C ATOM 213 NE2 HIS A 36 5.147 0.266 -3.192 1.00 0.00 N ATOM 0 H HIS A 36 4.022 0.384 -7.360 1.00 0.00 H new ATOM 0 HA HIS A 36 5.698 -1.934 -7.027 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.879 -1.173 -6.209 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.567 -2.743 -5.845 1.00 0.00 H new ATOM 0 HD1 HIS A 36 5.770 -2.719 -4.158 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.656 0.901 -4.699 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.492 -1.137 -2.283 1.00 0.00 H new ATOM 221 N GLY A 37 3.702 -2.071 -9.498 1.00 0.00 N ATOM 222 CA GLY A 37 3.243 -2.882 -10.616 1.00 0.00 C ATOM 223 C GLY A 37 1.782 -3.283 -10.423 1.00 0.00 C ATOM 224 O GLY A 37 1.302 -3.330 -9.294 1.00 0.00 O ATOM 0 H GLY A 37 3.556 -1.071 -9.637 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.353 -2.325 -11.546 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.862 -3.775 -10.704 1.00 0.00 H new ATOM 228 N GLY A 38 1.078 -3.563 -11.526 1.00 0.00 N ATOM 229 CA GLY A 38 -0.352 -3.865 -11.558 1.00 0.00 C ATOM 230 C GLY A 38 -0.792 -4.808 -10.436 1.00 0.00 C ATOM 231 O GLY A 38 -1.674 -4.480 -9.645 1.00 0.00 O ATOM 0 H GLY A 38 1.506 -3.586 -12.451 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.915 -2.935 -11.484 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.601 -4.313 -12.520 1.00 0.00 H new ATOM 235 N ASP A 39 -0.157 -5.980 -10.370 1.00 0.00 N ATOM 236 CA ASP A 39 -0.488 -7.028 -9.413 1.00 0.00 C ATOM 237 C ASP A 39 0.168 -6.799 -8.045 1.00 0.00 C ATOM 238 O ASP A 39 0.016 -7.626 -7.150 1.00 0.00 O ATOM 239 CB ASP A 39 -0.069 -8.383 -9.998 1.00 0.00 C ATOM 240 CG ASP A 39 -0.737 -8.655 -11.335 1.00 0.00 C ATOM 241 OD1 ASP A 39 -1.931 -9.023 -11.315 1.00 0.00 O ATOM 242 OD2 ASP A 39 -0.037 -8.460 -12.353 1.00 0.00 O ATOM 0 H ASP A 39 0.613 -6.228 -10.991 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.565 -7.011 -9.243 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.014 -8.405 -10.122 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.326 -9.176 -9.296 1.00 0.00 H new ATOM 247 N LEU A 40 0.927 -5.706 -7.879 1.00 0.00 N ATOM 248 CA LEU A 40 1.615 -5.338 -6.641 1.00 0.00 C ATOM 249 C LEU A 40 2.699 -6.354 -6.277 1.00 0.00 C ATOM 250 O LEU A 40 3.134 -6.446 -5.125 1.00 0.00 O ATOM 251 CB LEU A 40 0.596 -5.066 -5.524 1.00 0.00 C ATOM 252 CG LEU A 40 -0.381 -3.961 -5.969 1.00 0.00 C ATOM 253 CD1 LEU A 40 -1.778 -4.168 -5.380 1.00 0.00 C ATOM 254 CD2 LEU A 40 0.202 -2.615 -5.561 1.00 0.00 C ATOM 0 H LEU A 40 1.082 -5.034 -8.630 1.00 0.00 H new ATOM 0 HA LEU A 40 2.153 -4.402 -6.792 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.047 -5.978 -5.290 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.113 -4.763 -4.613 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.501 -3.997 -7.052 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.437 -3.368 -5.717 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.174 -5.128 -5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.720 -4.155 -4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.475 -1.817 -5.867 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.330 -2.587 -4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.169 -2.476 -6.045 1.00 0.00 H new ATOM 266 N THR A 41 3.172 -7.056 -7.312 1.00 0.00 N ATOM 267 CA THR A 41 4.197 -8.077 -7.316 1.00 0.00 C ATOM 268 C THR A 41 5.601 -7.468 -7.314 1.00 0.00 C ATOM 269 O THR A 41 6.575 -8.204 -7.183 1.00 0.00 O ATOM 270 CB THR A 41 3.965 -8.909 -8.586 1.00 0.00 C ATOM 271 OG1 THR A 41 3.612 -8.027 -9.641 1.00 0.00 O ATOM 272 CG2 THR A 41 2.815 -9.898 -8.376 1.00 0.00 C ATOM 0 H THR A 41 2.805 -6.901 -8.251 1.00 0.00 H new ATOM 0 HA THR A 41 4.134 -8.691 -6.417 1.00 0.00 H new ATOM 0 HB THR A 41 4.874 -9.463 -8.823 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.462 -8.542 -10.461 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.664 -10.479 -9.286 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.058 -10.569 -7.553 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.903 -9.350 -8.140 1.00 0.00 H new ATOM 280 N GLY A 42 5.720 -6.141 -7.433 1.00 0.00 N ATOM 281 CA GLY A 42 6.962 -5.433 -7.189 1.00 0.00 C ATOM 282 C GLY A 42 7.727 -5.166 -8.479 1.00 0.00 C ATOM 283 O GLY A 42 8.708 -5.844 -8.773 1.00 0.00 O ATOM 0 H GLY A 42 4.947 -5.533 -7.703 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.749 -4.487 -6.691 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.585 -6.016 -6.511 1.00 0.00 H new ATOM 287 N ALA A 43 7.281 -4.172 -9.251 1.00 0.00 N ATOM 288 CA ALA A 43 7.950 -3.771 -10.483 1.00 0.00 C ATOM 289 C ALA A 43 9.176 -2.890 -10.196 1.00 0.00 C ATOM 290 O ALA A 43 10.313 -3.340 -10.303 1.00 0.00 O ATOM 291 CB ALA A 43 6.942 -3.093 -11.418 1.00 0.00 C ATOM 0 H ALA A 43 6.447 -3.625 -9.037 1.00 0.00 H new ATOM 0 HA ALA A 43 8.332 -4.658 -10.988 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.444 -2.794 -12.338 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.138 -3.790 -11.653 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.527 -2.212 -10.928 1.00 0.00 H new ATOM 297 N SER A 44 8.941 -1.622 -9.851 1.00 0.00 N ATOM 298 CA SER A 44 9.952 -0.609 -9.542 1.00 0.00 C ATOM 299 C SER A 44 10.172 -0.493 -8.023 1.00 0.00 C ATOM 300 O SER A 44 10.923 0.357 -7.556 1.00 0.00 O ATOM 301 CB SER A 44 9.501 0.734 -10.144 1.00 0.00 C ATOM 302 OG SER A 44 10.601 1.560 -10.467 1.00 0.00 O ATOM 0 H SER A 44 7.992 -1.256 -9.776 1.00 0.00 H new ATOM 0 HA SER A 44 10.907 -0.900 -9.979 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.909 0.550 -11.041 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.854 1.251 -9.435 1.00 0.00 H new ATOM 0 HG SER A 44 10.277 2.403 -10.848 1.00 0.00 H new ATOM 308 N ALA A 45 9.469 -1.319 -7.249 1.00 0.00 N ATOM 309 CA ALA A 45 9.419 -1.329 -5.798 1.00 0.00 C ATOM 310 C ALA A 45 9.290 -2.802 -5.409 1.00 0.00 C ATOM 311 O ALA A 45 8.960 -3.604 -6.282 1.00 0.00 O ATOM 312 CB ALA A 45 8.188 -0.521 -5.389 1.00 0.00 C ATOM 0 H ALA A 45 8.880 -2.047 -7.653 1.00 0.00 H new ATOM 0 HA ALA A 45 10.291 -0.893 -5.311 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.110 -0.502 -4.302 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.281 0.498 -5.764 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.294 -0.982 -5.809 1.00 0.00 H new ATOM 318 N PRO A 46 9.547 -3.200 -4.155 1.00 0.00 N ATOM 319 CA PRO A 46 9.350 -4.577 -3.739 1.00 0.00 C ATOM 320 C PRO A 46 7.876 -4.974 -3.850 1.00 0.00 C ATOM 321 O PRO A 46 6.984 -4.123 -3.934 1.00 0.00 O ATOM 322 CB PRO A 46 9.867 -4.657 -2.298 1.00 0.00 C ATOM 323 CG PRO A 46 9.731 -3.221 -1.796 1.00 0.00 C ATOM 324 CD PRO A 46 10.016 -2.390 -3.048 1.00 0.00 C ATOM 0 HA PRO A 46 9.889 -5.277 -4.378 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.279 -5.351 -1.697 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.901 -5.000 -2.260 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.735 -3.025 -1.400 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.440 -3.004 -0.997 1.00 0.00 H new ATOM 0 HD2 PRO A 46 9.496 -1.433 -3.012 1.00 0.00 H new ATOM 0 HD3 PRO A 46 11.080 -2.172 -3.142 1.00 0.00 H new ATOM 332 N ALA A 47 7.635 -6.287 -3.852 1.00 0.00 N ATOM 333 CA ALA A 47 6.298 -6.851 -3.854 1.00 0.00 C ATOM 334 C ALA A 47 5.610 -6.448 -2.558 1.00 0.00 C ATOM 335 O ALA A 47 6.163 -6.692 -1.486 1.00 0.00 O ATOM 336 CB ALA A 47 6.378 -8.377 -3.958 1.00 0.00 C ATOM 0 H ALA A 47 8.375 -6.989 -3.852 1.00 0.00 H new ATOM 0 HA ALA A 47 5.731 -6.478 -4.707 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.371 -8.795 -3.959 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.886 -8.653 -4.882 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.934 -8.771 -3.107 1.00 0.00 H new ATOM 342 N ILE A 48 4.435 -5.822 -2.650 1.00 0.00 N ATOM 343 CA ILE A 48 3.650 -5.499 -1.465 1.00 0.00 C ATOM 344 C ILE A 48 2.278 -6.160 -1.478 1.00 0.00 C ATOM 345 O ILE A 48 1.598 -6.096 -0.463 1.00 0.00 O ATOM 346 CB ILE A 48 3.657 -3.994 -1.124 1.00 0.00 C ATOM 347 CG1 ILE A 48 2.980 -3.081 -2.152 1.00 0.00 C ATOM 348 CG2 ILE A 48 5.103 -3.526 -0.930 1.00 0.00 C ATOM 349 CD1 ILE A 48 1.457 -3.050 -2.003 1.00 0.00 C ATOM 0 H ILE A 48 4.010 -5.531 -3.531 1.00 0.00 H new ATOM 0 HA ILE A 48 4.157 -5.952 -0.613 1.00 0.00 H new ATOM 0 HB ILE A 48 3.065 -3.906 -0.213 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.372 -2.069 -2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.236 -3.419 -3.156 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.112 -2.463 -0.689 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.561 -4.087 -0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.666 -3.695 -1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.031 -2.388 -2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.058 -4.055 -2.136 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.196 -2.685 -1.010 1.00 0.00 H new ATOM 361 N ASP A 49 1.898 -6.882 -2.537 1.00 0.00 N ATOM 362 CA ASP A 49 0.765 -7.807 -2.512 1.00 0.00 C ATOM 363 C ASP A 49 0.677 -8.571 -1.180 1.00 0.00 C ATOM 364 O ASP A 49 -0.389 -8.671 -0.577 1.00 0.00 O ATOM 365 CB ASP A 49 0.882 -8.794 -3.687 1.00 0.00 C ATOM 366 CG ASP A 49 1.984 -9.830 -3.479 1.00 0.00 C ATOM 367 OD1 ASP A 49 3.085 -9.404 -3.060 1.00 0.00 O ATOM 368 OD2 ASP A 49 1.685 -11.030 -3.649 1.00 0.00 O ATOM 0 H ASP A 49 2.372 -6.839 -3.439 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.150 -7.223 -2.611 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.071 -9.306 -3.823 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.079 -8.239 -4.604 1.00 0.00 H new ATOM 373 N LYS A 50 1.820 -9.084 -0.712 1.00 0.00 N ATOM 374 CA LYS A 50 1.946 -9.944 0.453 1.00 0.00 C ATOM 375 C LYS A 50 2.336 -9.159 1.704 1.00 0.00 C ATOM 376 O LYS A 50 2.536 -9.747 2.768 1.00 0.00 O ATOM 377 CB LYS A 50 2.934 -11.092 0.165 1.00 0.00 C ATOM 378 CG LYS A 50 2.247 -12.442 0.394 1.00 0.00 C ATOM 379 CD LYS A 50 1.296 -12.764 -0.774 1.00 0.00 C ATOM 380 CE LYS A 50 -0.017 -13.407 -0.314 1.00 0.00 C ATOM 381 NZ LYS A 50 0.183 -14.555 0.592 1.00 0.00 N ATOM 0 H LYS A 50 2.717 -8.899 -1.160 1.00 0.00 H new ATOM 0 HA LYS A 50 0.968 -10.380 0.658 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.292 -11.026 -0.862 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.806 -11.004 0.813 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.997 -13.228 0.488 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.689 -12.419 1.330 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.074 -11.846 -1.319 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.799 -13.435 -1.471 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.624 -12.656 0.191 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.579 -13.736 -1.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.277 -15.397 0.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.201 -14.736 0.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.234 -14.341 1.521 1.00 0.00 H new ATOM 395 N ALA A 51 2.456 -7.834 1.598 1.00 0.00 N ATOM 396 CA ALA A 51 2.824 -6.999 2.724 1.00 0.00 C ATOM 397 C ALA A 51 1.877 -7.206 3.898 1.00 0.00 C ATOM 398 O ALA A 51 2.312 -7.072 5.027 1.00 0.00 O ATOM 399 CB ALA A 51 2.884 -5.535 2.305 1.00 0.00 C ATOM 0 H ALA A 51 2.300 -7.320 0.731 1.00 0.00 H new ATOM 0 HA ALA A 51 3.819 -7.295 3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.162 -4.922 3.163 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.626 -5.412 1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.907 -5.222 1.936 1.00 0.00 H new ATOM 405 N GLY A 52 0.614 -7.573 3.662 1.00 0.00 N ATOM 406 CA GLY A 52 -0.305 -7.912 4.738 1.00 0.00 C ATOM 407 C GLY A 52 0.074 -9.177 5.506 1.00 0.00 C ATOM 408 O GLY A 52 -0.300 -9.333 6.666 1.00 0.00 O ATOM 0 H GLY A 52 0.209 -7.641 2.728 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.354 -7.077 5.436 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.304 -8.038 4.322 1.00 0.00 H new ATOM 412 N ALA A 53 0.764 -10.116 4.853 1.00 0.00 N ATOM 413 CA ALA A 53 1.304 -11.291 5.523 1.00 0.00 C ATOM 414 C ALA A 53 2.561 -10.902 6.300 1.00 0.00 C ATOM 415 O ALA A 53 2.751 -11.336 7.433 1.00 0.00 O ATOM 416 CB ALA A 53 1.614 -12.391 4.501 1.00 0.00 C ATOM 0 H ALA A 53 0.960 -10.080 3.853 1.00 0.00 H new ATOM 0 HA ALA A 53 0.564 -11.680 6.222 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.017 -13.263 5.016 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.699 -12.669 3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.346 -12.024 3.782 1.00 0.00 H new ATOM 422 N ASN A 54 3.432 -10.108 5.671 1.00 0.00 N ATOM 423 CA ASN A 54 4.741 -9.778 6.233 1.00 0.00 C ATOM 424 C ASN A 54 4.631 -8.771 7.378 1.00 0.00 C ATOM 425 O ASN A 54 5.323 -8.902 8.385 1.00 0.00 O ATOM 426 CB ASN A 54 5.658 -9.201 5.145 1.00 0.00 C ATOM 427 CG ASN A 54 5.940 -10.187 4.015 1.00 0.00 C ATOM 428 OD1 ASN A 54 6.061 -11.388 4.235 1.00 0.00 O ATOM 429 ND2 ASN A 54 6.048 -9.693 2.785 1.00 0.00 N ATOM 0 H ASN A 54 3.250 -9.679 4.764 1.00 0.00 H new ATOM 0 HA ASN A 54 5.164 -10.703 6.626 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.199 -8.304 4.730 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.602 -8.897 5.598 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.235 -10.316 2.000 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.943 -8.691 2.627 1.00 0.00 H new ATOM 436 N TYR A 55 3.809 -7.741 7.178 1.00 0.00 N ATOM 437 CA TYR A 55 3.651 -6.564 8.021 1.00 0.00 C ATOM 438 C TYR A 55 2.166 -6.410 8.369 1.00 0.00 C ATOM 439 O TYR A 55 1.314 -7.000 7.704 1.00 0.00 O ATOM 440 CB TYR A 55 4.125 -5.311 7.261 1.00 0.00 C ATOM 441 CG TYR A 55 5.510 -5.337 6.636 1.00 0.00 C ATOM 442 CD1 TYR A 55 6.587 -5.982 7.273 1.00 0.00 C ATOM 443 CD2 TYR A 55 5.748 -4.579 5.473 1.00 0.00 C ATOM 444 CE1 TYR A 55 7.870 -5.948 6.697 1.00 0.00 C ATOM 445 CE2 TYR A 55 7.038 -4.514 4.920 1.00 0.00 C ATOM 446 CZ TYR A 55 8.100 -5.204 5.527 1.00 0.00 C ATOM 447 OH TYR A 55 9.353 -5.152 4.993 1.00 0.00 O ATOM 0 H TYR A 55 3.194 -7.708 6.365 1.00 0.00 H new ATOM 0 HA TYR A 55 4.244 -6.678 8.928 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.405 -5.109 6.468 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.085 -4.468 7.950 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.428 -6.504 8.205 1.00 0.00 H new ATOM 0 HD2 TYR A 55 4.935 -4.045 5.004 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.681 -6.495 7.155 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.213 -3.933 4.027 1.00 0.00 H new ATOM 0 HH TYR A 55 9.342 -4.597 4.185 1.00 0.00 H new ATOM 457 N SER A 56 1.841 -5.599 9.376 1.00 0.00 N ATOM 458 CA SER A 56 0.460 -5.341 9.782 1.00 0.00 C ATOM 459 C SER A 56 -0.050 -4.015 9.208 1.00 0.00 C ATOM 460 O SER A 56 0.731 -3.166 8.771 1.00 0.00 O ATOM 461 CB SER A 56 0.359 -5.372 11.309 1.00 0.00 C ATOM 462 OG SER A 56 0.681 -6.665 11.785 1.00 0.00 O ATOM 0 H SER A 56 2.532 -5.100 9.936 1.00 0.00 H new ATOM 0 HA SER A 56 -0.180 -6.125 9.377 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.036 -4.636 11.742 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.649 -5.100 11.621 1.00 0.00 H new ATOM 0 HG SER A 56 0.617 -6.679 12.763 1.00 0.00 H new ATOM 468 N GLU A 57 -1.374 -3.827 9.225 1.00 0.00 N ATOM 469 CA GLU A 57 -2.042 -2.627 8.742 1.00 0.00 C ATOM 470 C GLU A 57 -1.362 -1.375 9.301 1.00 0.00 C ATOM 471 O GLU A 57 -1.040 -0.477 8.536 1.00 0.00 O ATOM 472 CB GLU A 57 -3.564 -2.654 9.011 1.00 0.00 C ATOM 473 CG GLU A 57 -4.001 -3.139 10.404 1.00 0.00 C ATOM 474 CD GLU A 57 -4.226 -4.647 10.461 1.00 0.00 C ATOM 475 OE1 GLU A 57 -3.212 -5.376 10.386 1.00 0.00 O ATOM 476 OE2 GLU A 57 -5.404 -5.048 10.549 1.00 0.00 O ATOM 0 H GLU A 57 -2.022 -4.527 9.586 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.941 -2.598 7.657 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.956 -1.648 8.860 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.032 -3.294 8.263 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.242 -2.862 11.135 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.920 -2.628 10.690 1.00 0.00 H new ATOM 483 N GLU A 58 -1.101 -1.330 10.609 1.00 0.00 N ATOM 484 CA GLU A 58 -0.391 -0.236 11.264 1.00 0.00 C ATOM 485 C GLU A 58 0.903 0.146 10.523 1.00 0.00 C ATOM 486 O GLU A 58 1.142 1.319 10.233 1.00 0.00 O ATOM 487 CB GLU A 58 -0.158 -0.587 12.745 1.00 0.00 C ATOM 488 CG GLU A 58 0.519 -1.947 12.981 1.00 0.00 C ATOM 489 CD GLU A 58 0.591 -2.311 14.458 1.00 0.00 C ATOM 490 OE1 GLU A 58 0.926 -1.407 15.254 1.00 0.00 O ATOM 491 OE2 GLU A 58 0.303 -3.489 14.759 1.00 0.00 O ATOM 0 H GLU A 58 -1.384 -2.069 11.253 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.011 0.659 11.225 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.455 0.193 13.198 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.117 -0.579 13.262 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.030 -2.721 12.445 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.526 -1.925 12.565 1.00 0.00 H new ATOM 498 N GLU A 59 1.728 -0.844 10.182 1.00 0.00 N ATOM 499 CA GLU A 59 2.998 -0.634 9.507 1.00 0.00 C ATOM 500 C GLU A 59 2.750 -0.085 8.104 1.00 0.00 C ATOM 501 O GLU A 59 3.299 0.941 7.710 1.00 0.00 O ATOM 502 CB GLU A 59 3.758 -1.966 9.456 1.00 0.00 C ATOM 503 CG GLU A 59 3.991 -2.525 10.863 1.00 0.00 C ATOM 504 CD GLU A 59 4.805 -3.801 10.810 1.00 0.00 C ATOM 505 OE1 GLU A 59 4.162 -4.836 10.532 1.00 0.00 O ATOM 506 OE2 GLU A 59 6.033 -3.719 11.018 1.00 0.00 O ATOM 0 H GLU A 59 1.525 -1.826 10.372 1.00 0.00 H new ATOM 0 HA GLU A 59 3.601 0.094 10.050 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.194 -2.687 8.864 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.716 -1.822 8.956 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.509 -1.784 11.472 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.033 -2.720 11.344 1.00 0.00 H new ATOM 513 N ILE A 60 1.907 -0.773 7.336 1.00 0.00 N ATOM 514 CA ILE A 60 1.656 -0.422 5.942 1.00 0.00 C ATOM 515 C ILE A 60 1.097 1.006 5.898 1.00 0.00 C ATOM 516 O ILE A 60 1.573 1.846 5.136 1.00 0.00 O ATOM 517 CB ILE A 60 0.720 -1.459 5.289 1.00 0.00 C ATOM 518 CG1 ILE A 60 1.295 -2.882 5.433 1.00 0.00 C ATOM 519 CG2 ILE A 60 0.464 -1.161 3.802 1.00 0.00 C ATOM 520 CD1 ILE A 60 0.283 -3.965 5.062 1.00 0.00 C ATOM 0 H ILE A 60 1.382 -1.585 7.661 1.00 0.00 H new ATOM 0 HA ILE A 60 2.578 -0.443 5.361 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.232 -1.392 5.816 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.176 -2.980 4.798 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.624 -3.034 6.461 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.201 -1.919 3.388 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.001 -0.179 3.702 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.410 -1.173 3.260 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.741 -4.947 5.182 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.587 -3.888 5.714 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.027 -3.833 4.025 1.00 0.00 H new ATOM 532 N LEU A 61 0.116 1.285 6.759 1.00 0.00 N ATOM 533 CA LEU A 61 -0.456 2.602 6.989 1.00 0.00 C ATOM 534 C LEU A 61 0.647 3.624 7.187 1.00 0.00 C ATOM 535 O LEU A 61 0.698 4.627 6.471 1.00 0.00 O ATOM 536 CB LEU A 61 -1.347 2.566 8.235 1.00 0.00 C ATOM 537 CG LEU A 61 -2.117 3.869 8.490 1.00 0.00 C ATOM 538 CD1 LEU A 61 -3.152 4.116 7.394 1.00 0.00 C ATOM 539 CD2 LEU A 61 -2.829 3.801 9.844 1.00 0.00 C ATOM 0 H LEU A 61 -0.316 0.564 7.337 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.052 2.884 6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.060 1.748 8.135 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.729 2.345 9.105 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.399 4.689 8.489 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.684 5.045 7.598 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.650 4.190 6.429 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.862 3.289 7.371 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.373 4.730 10.016 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.529 2.965 9.846 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.093 3.659 10.635 1.00 0.00 H new ATOM 551 N ASP A 62 1.519 3.364 8.167 1.00 0.00 N ATOM 552 CA ASP A 62 2.599 4.282 8.464 1.00 0.00 C ATOM 553 C ASP A 62 3.393 4.540 7.191 1.00 0.00 C ATOM 554 O ASP A 62 3.558 5.691 6.794 1.00 0.00 O ATOM 555 CB ASP A 62 3.493 3.756 9.587 1.00 0.00 C ATOM 556 CG ASP A 62 4.497 4.830 9.980 1.00 0.00 C ATOM 557 OD1 ASP A 62 4.059 5.817 10.615 1.00 0.00 O ATOM 558 OD2 ASP A 62 5.669 4.687 9.577 1.00 0.00 O ATOM 0 H ASP A 62 1.491 2.532 8.757 1.00 0.00 H new ATOM 0 HA ASP A 62 2.179 5.223 8.821 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.887 3.477 10.449 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.015 2.857 9.260 1.00 0.00 H new ATOM 563 N ILE A 63 3.791 3.477 6.491 1.00 0.00 N ATOM 564 CA ILE A 63 4.586 3.616 5.275 1.00 0.00 C ATOM 565 C ILE A 63 3.846 4.492 4.257 1.00 0.00 C ATOM 566 O ILE A 63 4.445 5.348 3.617 1.00 0.00 O ATOM 567 CB ILE A 63 4.948 2.236 4.682 1.00 0.00 C ATOM 568 CG1 ILE A 63 6.269 1.661 5.230 1.00 0.00 C ATOM 569 CG2 ILE A 63 5.066 2.317 3.155 1.00 0.00 C ATOM 570 CD1 ILE A 63 6.097 0.950 6.569 1.00 0.00 C ATOM 0 H ILE A 63 3.575 2.513 6.746 1.00 0.00 H new ATOM 0 HA ILE A 63 5.524 4.110 5.529 1.00 0.00 H new ATOM 0 HB ILE A 63 4.137 1.572 4.979 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.684 0.962 4.504 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.992 2.469 5.344 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.321 1.335 2.757 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.115 2.643 2.733 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.845 3.031 2.888 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.061 0.567 6.904 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.710 1.653 7.307 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.397 0.122 6.454 1.00 0.00 H new ATOM 582 N ILE A 64 2.548 4.289 4.059 1.00 0.00 N ATOM 583 CA ILE A 64 1.803 5.068 3.075 1.00 0.00 C ATOM 584 C ILE A 64 1.797 6.548 3.471 1.00 0.00 C ATOM 585 O ILE A 64 2.025 7.446 2.651 1.00 0.00 O ATOM 586 CB ILE A 64 0.390 4.490 2.972 1.00 0.00 C ATOM 587 CG1 ILE A 64 0.450 3.061 2.417 1.00 0.00 C ATOM 588 CG2 ILE A 64 -0.487 5.352 2.064 1.00 0.00 C ATOM 589 CD1 ILE A 64 -0.742 2.257 2.929 1.00 0.00 C ATOM 0 H ILE A 64 1.993 3.597 4.562 1.00 0.00 H new ATOM 0 HA ILE A 64 2.275 5.006 2.095 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.047 4.479 3.970 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.444 3.084 1.327 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.381 2.582 2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.486 4.920 2.007 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.550 6.361 2.471 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.051 5.390 1.066 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.695 1.243 2.532 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.716 2.222 4.018 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.668 2.731 2.603 1.00 0.00 H new ATOM 601 N LEU A 65 1.521 6.803 4.748 1.00 0.00 N ATOM 602 CA LEU A 65 1.413 8.150 5.272 1.00 0.00 C ATOM 603 C LEU A 65 2.770 8.878 5.270 1.00 0.00 C ATOM 604 O LEU A 65 2.808 10.092 5.030 1.00 0.00 O ATOM 605 CB LEU A 65 0.824 8.086 6.687 1.00 0.00 C ATOM 606 CG LEU A 65 -0.640 7.605 6.787 1.00 0.00 C ATOM 607 CD1 LEU A 65 -0.976 7.389 8.266 1.00 0.00 C ATOM 608 CD2 LEU A 65 -1.609 8.639 6.235 1.00 0.00 C ATOM 0 H LEU A 65 1.367 6.075 5.445 1.00 0.00 H new ATOM 0 HA LEU A 65 0.752 8.726 4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.446 7.423 7.289 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.891 9.078 7.133 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.739 6.687 6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.007 7.049 8.359 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.307 6.638 8.685 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.853 8.327 8.808 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.629 8.265 6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.513 9.566 6.800 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.381 8.828 5.186 1.00 0.00 H new ATOM 620 N ASN A 66 3.850 8.144 5.564 1.00 0.00 N ATOM 621 CA ASN A 66 5.211 8.635 5.810 1.00 0.00 C ATOM 622 C ASN A 66 6.065 8.629 4.545 1.00 0.00 C ATOM 623 O ASN A 66 6.909 9.503 4.362 1.00 0.00 O ATOM 624 CB ASN A 66 5.917 7.734 6.839 1.00 0.00 C ATOM 625 CG ASN A 66 5.500 8.018 8.279 1.00 0.00 C ATOM 626 OD1 ASN A 66 6.242 8.637 9.036 1.00 0.00 O ATOM 627 ND2 ASN A 66 4.316 7.561 8.657 1.00 0.00 N ATOM 0 H ASN A 66 3.793 7.129 5.641 1.00 0.00 H new ATOM 0 HA ASN A 66 5.110 9.658 6.173 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.703 6.691 6.605 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.995 7.866 6.748 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.989 7.719 9.610 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.731 7.051 7.995 1.00 0.00 H new ATOM 634 N GLY A 67 5.871 7.617 3.703 1.00 0.00 N ATOM 635 CA GLY A 67 6.767 7.214 2.633 1.00 0.00 C ATOM 636 C GLY A 67 7.580 5.986 3.062 1.00 0.00 C ATOM 637 O GLY A 67 7.425 5.475 4.170 1.00 0.00 O ATOM 0 H GLY A 67 5.040 7.028 3.755 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.194 6.985 1.735 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.439 8.035 2.382 1.00 0.00 H new ATOM 641 N GLN A 68 8.463 5.528 2.177 1.00 0.00 N ATOM 642 CA GLN A 68 9.517 4.541 2.421 1.00 0.00 C ATOM 643 C GLN A 68 10.735 5.127 1.669 1.00 0.00 C ATOM 644 O GLN A 68 10.547 6.033 0.867 1.00 0.00 O ATOM 645 CB GLN A 68 9.078 3.129 1.931 1.00 0.00 C ATOM 646 CG GLN A 68 10.208 2.115 1.890 1.00 0.00 C ATOM 647 CD GLN A 68 10.929 1.848 3.196 1.00 0.00 C ATOM 648 OE1 GLN A 68 11.999 2.388 3.453 1.00 0.00 O ATOM 649 NE2 GLN A 68 10.387 0.965 4.014 1.00 0.00 N ATOM 0 H GLN A 68 8.463 5.855 1.211 1.00 0.00 H new ATOM 0 HA GLN A 68 9.750 4.382 3.474 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.291 2.756 2.586 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.647 3.219 0.934 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.805 1.171 1.524 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.942 2.453 1.159 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.495 0.530 3.777 1.00 0.00 H new ATOM 0 HE22 GLN A 68 10.860 0.718 4.883 1.00 0.00 H new ATOM 658 N GLY A 69 11.971 4.675 1.910 1.00 0.00 N ATOM 659 CA GLY A 69 13.202 5.188 1.306 1.00 0.00 C ATOM 660 C GLY A 69 13.040 5.746 -0.116 1.00 0.00 C ATOM 661 O GLY A 69 13.122 6.956 -0.315 1.00 0.00 O ATOM 0 H GLY A 69 12.146 3.908 2.560 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.603 5.974 1.946 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.940 4.387 1.284 1.00 0.00 H new ATOM 665 N GLY A 70 12.791 4.882 -1.105 1.00 0.00 N ATOM 666 CA GLY A 70 12.572 5.287 -2.493 1.00 0.00 C ATOM 667 C GLY A 70 11.094 5.506 -2.836 1.00 0.00 C ATOM 668 O GLY A 70 10.684 5.267 -3.970 1.00 0.00 O ATOM 0 H GLY A 70 12.736 3.874 -0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.123 6.207 -2.687 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.982 4.525 -3.155 1.00 0.00 H new ATOM 672 N MET A 71 10.284 5.949 -1.868 1.00 0.00 N ATOM 673 CA MET A 71 8.835 6.108 -2.003 1.00 0.00 C ATOM 674 C MET A 71 8.342 7.396 -1.323 1.00 0.00 C ATOM 675 O MET A 71 8.482 7.517 -0.105 1.00 0.00 O ATOM 676 CB MET A 71 8.206 4.902 -1.316 1.00 0.00 C ATOM 677 CG MET A 71 6.681 4.923 -1.219 1.00 0.00 C ATOM 678 SD MET A 71 5.997 3.460 -0.396 1.00 0.00 S ATOM 679 CE MET A 71 4.436 4.178 0.172 1.00 0.00 C ATOM 0 H MET A 71 10.629 6.213 -0.945 1.00 0.00 H new ATOM 0 HA MET A 71 8.561 6.175 -3.056 1.00 0.00 H new ATOM 0 HB2 MET A 71 8.506 4.002 -1.853 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.616 4.824 -0.309 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.370 5.816 -0.676 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.261 4.997 -2.222 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.802 3.392 0.583 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.637 4.923 0.942 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.927 4.652 -0.667 1.00 0.00 H new ATOM 689 N PRO A 72 7.696 8.328 -2.046 1.00 0.00 N ATOM 690 CA PRO A 72 7.143 9.529 -1.439 1.00 0.00 C ATOM 691 C PRO A 72 6.008 9.167 -0.475 1.00 0.00 C ATOM 692 O PRO A 72 5.411 8.097 -0.576 1.00 0.00 O ATOM 693 CB PRO A 72 6.672 10.402 -2.606 1.00 0.00 C ATOM 694 CG PRO A 72 6.349 9.392 -3.707 1.00 0.00 C ATOM 695 CD PRO A 72 7.330 8.246 -3.449 1.00 0.00 C ATOM 0 HA PRO A 72 7.875 10.067 -0.837 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.797 10.993 -2.336 1.00 0.00 H new ATOM 0 HB3 PRO A 72 7.446 11.103 -2.920 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.314 9.054 -3.649 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.488 9.823 -4.699 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.871 7.284 -3.675 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.210 8.337 -4.086 1.00 0.00 H new ATOM 703 N GLY A 73 5.714 10.059 0.472 1.00 0.00 N ATOM 704 CA GLY A 73 4.789 9.827 1.557 1.00 0.00 C ATOM 705 C GLY A 73 3.582 10.732 1.411 1.00 0.00 C ATOM 706 O GLY A 73 3.679 11.849 0.910 1.00 0.00 O ATOM 0 H GLY A 73 6.132 10.989 0.496 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.473 8.784 1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.281 10.014 2.512 1.00 0.00 H new ATOM 710 N GLY A 74 2.435 10.238 1.864 1.00 0.00 N ATOM 711 CA GLY A 74 1.177 10.961 1.781 1.00 0.00 C ATOM 712 C GLY A 74 0.490 10.776 0.435 1.00 0.00 C ATOM 713 O GLY A 74 -0.442 11.511 0.120 1.00 0.00 O ATOM 0 H GLY A 74 2.354 9.320 2.301 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.512 10.621 2.575 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.359 12.022 1.950 1.00 0.00 H new ATOM 717 N ILE A 75 0.910 9.764 -0.330 1.00 0.00 N ATOM 718 CA ILE A 75 0.234 9.328 -1.542 1.00 0.00 C ATOM 719 C ILE A 75 -1.247 9.096 -1.230 1.00 0.00 C ATOM 720 O ILE A 75 -2.123 9.464 -2.013 1.00 0.00 O ATOM 721 CB ILE A 75 0.917 8.046 -2.050 1.00 0.00 C ATOM 722 CG1 ILE A 75 2.365 8.326 -2.490 1.00 0.00 C ATOM 723 CG2 ILE A 75 0.128 7.431 -3.215 1.00 0.00 C ATOM 724 CD1 ILE A 75 3.205 7.053 -2.388 1.00 0.00 C ATOM 0 H ILE A 75 1.745 9.219 -0.115 1.00 0.00 H new ATOM 0 HA ILE A 75 0.299 10.085 -2.323 1.00 0.00 H new ATOM 0 HB ILE A 75 0.936 7.335 -1.224 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.376 8.696 -3.515 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.798 9.107 -1.865 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.630 6.526 -3.557 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.880 7.183 -2.881 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.072 8.147 -4.035 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.227 7.265 -2.702 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.208 6.701 -1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.780 6.284 -3.033 1.00 0.00 H new ATOM 736 N ALA A 76 -1.524 8.494 -0.071 1.00 0.00 N ATOM 737 CA ALA A 76 -2.856 8.342 0.479 1.00 0.00 C ATOM 738 C ALA A 76 -2.762 8.860 1.907 1.00 0.00 C ATOM 739 O ALA A 76 -1.723 8.660 2.534 1.00 0.00 O ATOM 740 CB ALA A 76 -3.234 6.857 0.438 1.00 0.00 C ATOM 0 H ALA A 76 -0.799 8.090 0.522 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.620 8.887 -0.075 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.235 6.725 0.849 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.216 6.505 -0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.520 6.283 1.030 1.00 0.00 H new ATOM 746 N LYS A 77 -3.802 9.533 2.410 1.00 0.00 N ATOM 747 CA LYS A 77 -3.898 9.996 3.781 1.00 0.00 C ATOM 748 C LYS A 77 -5.335 9.800 4.269 1.00 0.00 C ATOM 749 O LYS A 77 -6.251 9.651 3.458 1.00 0.00 O ATOM 750 CB LYS A 77 -3.417 11.456 3.889 1.00 0.00 C ATOM 751 CG LYS A 77 -1.875 11.589 3.900 1.00 0.00 C ATOM 752 CD LYS A 77 -1.331 12.222 5.197 1.00 0.00 C ATOM 753 CE LYS A 77 0.071 11.721 5.607 1.00 0.00 C ATOM 754 NZ LYS A 77 1.200 12.282 4.837 1.00 0.00 N ATOM 0 H LYS A 77 -4.620 9.773 1.850 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.244 9.413 4.430 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.819 12.027 3.052 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.820 11.898 4.800 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.430 10.602 3.770 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.562 12.194 3.049 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.296 13.304 5.073 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.029 12.017 6.009 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.225 11.950 6.662 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.092 10.636 5.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.882 11.527 4.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.845 12.692 3.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.669 13.022 5.397 1.00 0.00 H new ATOM 768 N GLY A 78 -5.512 9.751 5.594 1.00 0.00 N ATOM 769 CA GLY A 78 -6.792 9.479 6.233 1.00 0.00 C ATOM 770 C GLY A 78 -7.426 8.206 5.676 1.00 0.00 C ATOM 771 O GLY A 78 -6.712 7.245 5.374 1.00 0.00 O ATOM 0 H GLY A 78 -4.753 9.903 6.258 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.650 9.377 7.309 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.465 10.322 6.078 1.00 0.00 H new ATOM 775 N ALA A 79 -8.749 8.246 5.465 1.00 0.00 N ATOM 776 CA ALA A 79 -9.558 7.150 4.946 1.00 0.00 C ATOM 777 C ALA A 79 -8.881 6.427 3.786 1.00 0.00 C ATOM 778 O ALA A 79 -8.997 5.213 3.670 1.00 0.00 O ATOM 779 CB ALA A 79 -10.929 7.675 4.508 1.00 0.00 C ATOM 0 H ALA A 79 -9.301 9.081 5.662 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.679 6.426 5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.528 6.850 4.121 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.437 8.123 5.362 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.799 8.426 3.728 1.00 0.00 H new ATOM 785 N GLU A 80 -8.180 7.169 2.927 1.00 0.00 N ATOM 786 CA GLU A 80 -7.450 6.608 1.808 1.00 0.00 C ATOM 787 C GLU A 80 -6.397 5.614 2.327 1.00 0.00 C ATOM 788 O GLU A 80 -6.445 4.427 1.999 1.00 0.00 O ATOM 789 CB GLU A 80 -6.879 7.777 0.979 1.00 0.00 C ATOM 790 CG GLU A 80 -6.864 7.534 -0.540 1.00 0.00 C ATOM 791 CD GLU A 80 -7.337 8.761 -1.305 1.00 0.00 C ATOM 792 OE1 GLU A 80 -8.514 9.130 -1.128 1.00 0.00 O ATOM 793 OE2 GLU A 80 -6.497 9.312 -2.050 1.00 0.00 O ATOM 0 H GLU A 80 -8.108 8.184 2.996 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.090 6.028 1.143 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.465 8.672 1.185 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.861 7.979 1.312 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.855 7.272 -0.858 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.504 6.685 -0.780 1.00 0.00 H new ATOM 800 N ALA A 81 -5.466 6.068 3.176 1.00 0.00 N ATOM 801 CA ALA A 81 -4.409 5.220 3.699 1.00 0.00 C ATOM 802 C ALA A 81 -4.978 4.142 4.621 1.00 0.00 C ATOM 803 O ALA A 81 -4.501 3.013 4.599 1.00 0.00 O ATOM 804 CB ALA A 81 -3.375 6.079 4.424 1.00 0.00 C ATOM 0 H ALA A 81 -5.432 7.030 3.513 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.920 4.710 2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.583 5.441 4.816 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.949 6.801 3.727 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.855 6.609 5.247 1.00 0.00 H new ATOM 810 N GLU A 82 -5.985 4.477 5.430 1.00 0.00 N ATOM 811 CA GLU A 82 -6.646 3.529 6.319 1.00 0.00 C ATOM 812 C GLU A 82 -7.254 2.377 5.514 1.00 0.00 C ATOM 813 O GLU A 82 -6.990 1.204 5.787 1.00 0.00 O ATOM 814 CB GLU A 82 -7.703 4.269 7.143 1.00 0.00 C ATOM 815 CG GLU A 82 -7.064 5.295 8.089 1.00 0.00 C ATOM 816 CD GLU A 82 -8.122 6.193 8.716 1.00 0.00 C ATOM 817 OE1 GLU A 82 -8.913 5.656 9.518 1.00 0.00 O ATOM 818 OE2 GLU A 82 -8.136 7.392 8.360 1.00 0.00 O ATOM 0 H GLU A 82 -6.365 5.422 5.484 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.919 3.092 7.004 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.399 4.774 6.474 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.283 3.550 7.722 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.511 4.777 8.873 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.345 5.903 7.540 1.00 0.00 H new ATOM 825 N ALA A 83 -8.058 2.721 4.504 1.00 0.00 N ATOM 826 CA ALA A 83 -8.678 1.753 3.617 1.00 0.00 C ATOM 827 C ALA A 83 -7.601 0.879 2.984 1.00 0.00 C ATOM 828 O ALA A 83 -7.702 -0.347 3.062 1.00 0.00 O ATOM 829 CB ALA A 83 -9.535 2.464 2.566 1.00 0.00 C ATOM 0 H ALA A 83 -8.294 3.689 4.284 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.344 1.105 4.187 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.993 1.725 1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.315 3.041 3.062 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.908 3.134 1.977 1.00 0.00 H new ATOM 835 N VAL A 84 -6.561 1.500 2.401 1.00 0.00 N ATOM 836 CA VAL A 84 -5.415 0.745 1.909 1.00 0.00 C ATOM 837 C VAL A 84 -4.941 -0.233 2.978 1.00 0.00 C ATOM 838 O VAL A 84 -4.948 -1.428 2.740 1.00 0.00 O ATOM 839 CB VAL A 84 -4.241 1.636 1.467 1.00 0.00 C ATOM 840 CG1 VAL A 84 -3.014 0.744 1.235 1.00 0.00 C ATOM 841 CG2 VAL A 84 -4.520 2.391 0.167 1.00 0.00 C ATOM 0 H VAL A 84 -6.498 2.509 2.264 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.754 0.208 1.023 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.080 2.372 2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.171 1.359 0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.760 0.226 2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.238 0.012 0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.655 3.002 -0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.713 1.677 -0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.391 3.033 0.299 1.00 0.00 H new ATOM 851 N ALA A 85 -4.483 0.270 4.123 1.00 0.00 N ATOM 852 CA ALA A 85 -3.840 -0.517 5.162 1.00 0.00 C ATOM 853 C ALA A 85 -4.678 -1.740 5.522 1.00 0.00 C ATOM 854 O ALA A 85 -4.164 -2.856 5.515 1.00 0.00 O ATOM 855 CB ALA A 85 -3.606 0.372 6.378 1.00 0.00 C ATOM 0 H ALA A 85 -4.553 1.261 4.355 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.881 -0.886 4.797 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.124 -0.208 7.165 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.965 1.209 6.099 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.561 0.752 6.741 1.00 0.00 H new ATOM 861 N ALA A 86 -5.968 -1.539 5.803 1.00 0.00 N ATOM 862 CA ALA A 86 -6.873 -2.637 6.117 1.00 0.00 C ATOM 863 C ALA A 86 -6.915 -3.651 4.969 1.00 0.00 C ATOM 864 O ALA A 86 -6.665 -4.840 5.164 1.00 0.00 O ATOM 865 CB ALA A 86 -8.268 -2.083 6.416 1.00 0.00 C ATOM 0 H ALA A 86 -6.407 -0.618 5.818 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.508 -3.159 7.002 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -8.944 -2.906 6.651 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.215 -1.403 7.266 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.640 -1.545 5.544 1.00 0.00 H new ATOM 871 N TRP A 87 -7.227 -3.179 3.762 1.00 0.00 N ATOM 872 CA TRP A 87 -7.329 -4.022 2.578 1.00 0.00 C ATOM 873 C TRP A 87 -6.020 -4.776 2.308 1.00 0.00 C ATOM 874 O TRP A 87 -6.029 -5.933 1.901 1.00 0.00 O ATOM 875 CB TRP A 87 -7.707 -3.121 1.407 1.00 0.00 C ATOM 876 CG TRP A 87 -7.634 -3.732 0.048 1.00 0.00 C ATOM 877 CD1 TRP A 87 -8.610 -4.394 -0.615 1.00 0.00 C ATOM 878 CD2 TRP A 87 -6.521 -3.663 -0.877 1.00 0.00 C ATOM 879 NE1 TRP A 87 -8.096 -4.920 -1.785 1.00 0.00 N ATOM 880 CE2 TRP A 87 -6.794 -4.513 -1.982 1.00 0.00 C ATOM 881 CE3 TRP A 87 -5.301 -2.961 -0.919 1.00 0.00 C ATOM 882 CZ2 TRP A 87 -5.823 -4.731 -2.967 1.00 0.00 C ATOM 883 CZ3 TRP A 87 -4.559 -2.947 -2.113 1.00 0.00 C ATOM 884 CH2 TRP A 87 -4.990 -3.658 -3.237 1.00 0.00 C ATOM 0 H TRP A 87 -7.417 -2.193 3.581 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.091 -4.787 2.726 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -8.724 -2.763 1.566 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -7.055 -2.247 1.424 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.632 -4.496 -0.282 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -8.612 -5.529 -2.419 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.940 -2.440 -0.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -5.730 -5.675 -3.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -3.642 -2.378 -2.163 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -4.695 -3.390 -4.241 1.00 0.00 H new ATOM 895 N LEU A 88 -4.884 -4.121 2.528 1.00 0.00 N ATOM 896 CA LEU A 88 -3.573 -4.686 2.281 1.00 0.00 C ATOM 897 C LEU A 88 -3.266 -5.738 3.339 1.00 0.00 C ATOM 898 O LEU A 88 -2.853 -6.844 3.011 1.00 0.00 O ATOM 899 CB LEU A 88 -2.516 -3.584 2.207 1.00 0.00 C ATOM 900 CG LEU A 88 -1.566 -3.764 1.024 1.00 0.00 C ATOM 901 CD1 LEU A 88 -0.642 -4.958 1.163 1.00 0.00 C ATOM 902 CD2 LEU A 88 -2.185 -3.697 -0.356 1.00 0.00 C ATOM 0 H LEU A 88 -4.854 -3.167 2.889 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.559 -5.185 1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.010 -2.616 2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.941 -3.574 3.133 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.958 -2.862 1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.003 -5.023 0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.029 -4.842 2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.235 -5.869 1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.410 -3.839 -1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.936 -4.480 -0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.655 -2.724 -0.497 1.00 0.00 H new ATOM 914 N ALA A 89 -3.536 -5.424 4.606 1.00 0.00 N ATOM 915 CA ALA A 89 -3.468 -6.374 5.706 1.00 0.00 C ATOM 916 C ALA A 89 -4.376 -7.575 5.457 1.00 0.00 C ATOM 917 O ALA A 89 -4.051 -8.688 5.862 1.00 0.00 O ATOM 918 CB ALA A 89 -3.807 -5.688 7.025 1.00 0.00 C ATOM 0 H ALA A 89 -3.812 -4.486 4.897 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.446 -6.748 5.770 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.751 -6.413 7.837 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.097 -4.882 7.209 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.816 -5.278 6.973 1.00 0.00 H new ATOM 924 N GLU A 90 -5.506 -7.368 4.786 1.00 0.00 N ATOM 925 CA GLU A 90 -6.417 -8.430 4.385 1.00 0.00 C ATOM 926 C GLU A 90 -5.828 -9.249 3.223 1.00 0.00 C ATOM 927 O GLU A 90 -6.174 -10.419 3.061 1.00 0.00 O ATOM 928 CB GLU A 90 -7.772 -7.772 4.065 1.00 0.00 C ATOM 929 CG GLU A 90 -8.822 -8.682 3.408 1.00 0.00 C ATOM 930 CD GLU A 90 -8.901 -8.479 1.893 1.00 0.00 C ATOM 931 OE1 GLU A 90 -8.060 -9.060 1.172 1.00 0.00 O ATOM 932 OE2 GLU A 90 -9.808 -7.740 1.460 1.00 0.00 O ATOM 0 H GLU A 90 -5.818 -6.439 4.502 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.567 -9.156 5.184 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.190 -7.377 4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.594 -6.921 3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.581 -9.724 3.621 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.798 -8.484 3.850 1.00 0.00 H new ATOM 939 N LYS A 91 -4.882 -8.686 2.463 1.00 0.00 N ATOM 940 CA LYS A 91 -4.487 -9.124 1.128 1.00 0.00 C ATOM 941 C LYS A 91 -3.795 -10.497 1.003 1.00 0.00 C ATOM 942 O LYS A 91 -3.142 -10.782 0.001 1.00 0.00 O ATOM 943 CB LYS A 91 -3.748 -8.007 0.377 1.00 0.00 C ATOM 944 CG LYS A 91 -3.842 -8.064 -1.158 1.00 0.00 C ATOM 945 CD LYS A 91 -5.302 -8.123 -1.634 1.00 0.00 C ATOM 946 CE LYS A 91 -5.852 -9.562 -1.661 1.00 0.00 C ATOM 947 NZ LYS A 91 -7.277 -9.599 -1.257 1.00 0.00 N ATOM 0 H LYS A 91 -4.349 -7.876 2.780 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.437 -9.322 0.631 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.141 -7.047 0.712 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -2.696 -8.037 0.660 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.355 -7.188 -1.586 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.304 -8.939 -1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.921 -7.512 -0.976 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.374 -7.690 -2.632 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.745 -9.976 -2.663 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.265 -10.191 -0.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.724 -10.456 -1.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.343 -9.608 -0.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.765 -8.759 -1.628 1.00 0.00 H new ATOM 961 N LYS A 92 -3.761 -11.266 2.076 1.00 0.00 N ATOM 962 CA LYS A 92 -2.562 -11.914 2.543 1.00 0.00 C ATOM 963 C LYS A 92 -2.643 -13.440 2.475 1.00 0.00 C ATOM 964 O LYS A 92 -3.770 -13.971 2.535 1.00 0.00 O ATOM 965 CB LYS A 92 -2.369 -11.363 3.941 1.00 0.00 C ATOM 966 CG LYS A 92 -3.426 -11.812 4.965 1.00 0.00 C ATOM 967 CD LYS A 92 -2.924 -11.507 6.380 1.00 0.00 C ATOM 968 CE LYS A 92 -4.062 -11.432 7.412 1.00 0.00 C ATOM 969 NZ LYS A 92 -4.072 -10.123 8.098 1.00 0.00 N ATOM 970 OXT LYS A 92 -1.562 -14.063 2.361 1.00 0.00 O ATOM 0 H LYS A 92 -4.581 -11.457 2.652 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.699 -11.704 1.912 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.385 -11.662 4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -2.372 -10.274 3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.368 -11.295 4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.622 -12.879 4.859 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.215 -12.277 6.683 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.383 -10.561 6.373 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.019 -11.593 6.915 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -3.945 -12.230 8.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -4.880 -10.080 8.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.187 -10.004 8.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -4.156 -9.363 7.394 1.00 0.00 H new