USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 469 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 21 ASN : amide:sc= 0.509 K(o=-2.8,f=-6.1) USER MOD Set 1.2: A 52 ASN : amide:sc= -3.3! C(o=-2.8!,f=-11!) USER MOD Single : A 1 VAL N :NH3+ 171:sc= -0.435 (180deg=-0.478) USER MOD Single : A 3 ASN : amide:sc= 0.106 K(o=0.11,f=-1.2) USER MOD Single : A 4 LYS NZ :NH3+ -167:sc=-0.00849 (180deg=-0.219) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 168:sc= -10.3! (180deg=-10.9!) USER MOD Single : A 23 ASN : amide:sc= -1.19 K(o=-1.2,f=-9.4!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -1.55 K(o=-1.5,f=-0.47) USER MOD Single : A 32 ASN : amide:sc= -0.41 K(o=-0.41,f=-2.9!) USER MOD Single : A 33 SER OG : rot 77:sc= 1.19 USER MOD Single : A 39 SER OG : rot -44:sc= 1.23 USER MOD Single : A 40 GLN : amide:sc= -0.875 K(o=-0.88,f=-0.059) USER MOD Single : A 41 SER OG : rot -79:sc= -0.688 USER MOD Single : A 43 ASN : amide:sc= 0.281 X(o=0.28,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -176:sc= -0.444 (180deg=-0.492) USER MOD Single : A 55 GLN : amide:sc= -4.78! C(o=-4.8!,f=-8!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -7.003 -9.412 12.568 1.00 0.00 N ATOM 2 CA VAL A 1 -6.060 -8.604 13.396 1.00 0.00 C ATOM 3 C VAL A 1 -4.880 -9.483 13.816 1.00 0.00 C ATOM 4 O VAL A 1 -3.727 -9.047 13.782 1.00 0.00 O ATOM 5 CB VAL A 1 -6.805 -8.050 14.630 1.00 0.00 C ATOM 6 CG1 VAL A 1 -7.353 -9.197 15.496 1.00 0.00 C ATOM 7 CG2 VAL A 1 -5.851 -7.187 15.470 1.00 0.00 C ATOM 0 H1 VAL A 1 -7.876 -8.870 12.408 1.00 0.00 H new ATOM 0 H2 VAL A 1 -6.560 -9.633 11.654 1.00 0.00 H new ATOM 0 H3 VAL A 1 -7.231 -10.297 13.065 1.00 0.00 H new ATOM 0 HA VAL A 1 -5.678 -7.762 12.819 1.00 0.00 H new ATOM 0 HB VAL A 1 -7.641 -7.443 14.282 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -7.874 -8.784 16.360 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -8.046 -9.798 14.907 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -6.528 -9.823 15.835 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -6.382 -6.799 16.339 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -5.008 -7.793 15.801 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -5.486 -6.356 14.867 1.00 0.00 H new ATOM 19 N ASP A 2 -5.185 -10.722 14.199 1.00 0.00 N ATOM 20 CA ASP A 2 -4.162 -11.679 14.622 1.00 0.00 C ATOM 21 C ASP A 2 -3.554 -12.392 13.410 1.00 0.00 C ATOM 22 O ASP A 2 -2.727 -13.295 13.559 1.00 0.00 O ATOM 23 CB ASP A 2 -4.798 -12.710 15.562 1.00 0.00 C ATOM 24 CG ASP A 2 -5.915 -13.462 14.835 1.00 0.00 C ATOM 25 OD1 ASP A 2 -7.006 -12.919 14.743 1.00 0.00 O ATOM 26 OD2 ASP A 2 -5.659 -14.559 14.368 1.00 0.00 O ATOM 0 H ASP A 2 -6.137 -11.088 14.225 1.00 0.00 H new ATOM 0 HA ASP A 2 -3.367 -11.143 15.140 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -4.041 -13.413 15.909 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -5.199 -12.211 16.445 1.00 0.00 H new ATOM 31 N ASN A 3 -3.979 -11.979 12.216 1.00 0.00 N ATOM 32 CA ASN A 3 -3.490 -12.575 10.975 1.00 0.00 C ATOM 33 C ASN A 3 -2.065 -12.112 10.670 1.00 0.00 C ATOM 34 O ASN A 3 -1.545 -11.198 11.315 1.00 0.00 O ATOM 35 CB ASN A 3 -4.410 -12.179 9.811 1.00 0.00 C ATOM 36 CG ASN A 3 -5.851 -12.617 10.079 1.00 0.00 C ATOM 37 OD1 ASN A 3 -6.109 -13.440 10.959 1.00 0.00 O ATOM 38 ND2 ASN A 3 -6.815 -12.110 9.360 1.00 0.00 N ATOM 0 H ASN A 3 -4.662 -11.233 12.083 1.00 0.00 H new ATOM 0 HA ASN A 3 -3.488 -13.658 11.096 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -4.375 -11.099 9.666 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -4.053 -12.636 8.888 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -7.780 -12.395 9.527 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -6.603 -11.429 8.631 1.00 0.00 H new ATOM 45 N LYS A 4 -1.450 -12.743 9.668 1.00 0.00 N ATOM 46 CA LYS A 4 -0.086 -12.396 9.255 1.00 0.00 C ATOM 47 C LYS A 4 -0.096 -11.139 8.394 1.00 0.00 C ATOM 48 O LYS A 4 0.931 -10.753 7.826 1.00 0.00 O ATOM 49 CB LYS A 4 0.550 -13.545 8.466 1.00 0.00 C ATOM 50 CG LYS A 4 0.526 -14.832 9.303 1.00 0.00 C ATOM 51 CD LYS A 4 1.279 -15.948 8.563 1.00 0.00 C ATOM 52 CE LYS A 4 1.141 -17.268 9.332 1.00 0.00 C ATOM 53 NZ LYS A 4 1.844 -17.159 10.643 1.00 0.00 N ATOM 0 H LYS A 4 -1.873 -13.497 9.127 1.00 0.00 H new ATOM 0 HA LYS A 4 0.502 -12.214 10.155 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.010 -13.699 7.532 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.577 -13.292 8.202 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.986 -14.653 10.275 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.504 -15.137 9.489 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.881 -16.061 7.555 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.332 -15.684 8.462 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.088 -17.500 9.491 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.563 -18.086 8.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.942 -18.105 11.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.787 -16.745 10.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.294 -16.551 11.282 1.00 0.00 H new ATOM 67 N PHE A 5 -1.270 -10.524 8.288 1.00 0.00 N ATOM 68 CA PHE A 5 -1.442 -9.330 7.478 1.00 0.00 C ATOM 69 C PHE A 5 -0.437 -8.260 7.846 1.00 0.00 C ATOM 70 O PHE A 5 0.194 -7.688 6.979 1.00 0.00 O ATOM 71 CB PHE A 5 -2.802 -8.689 7.749 1.00 0.00 C ATOM 72 CG PHE A 5 -3.970 -9.465 7.188 1.00 0.00 C ATOM 73 CD1 PHE A 5 -3.889 -10.842 6.928 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.163 -8.774 6.944 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.008 -11.514 6.422 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.273 -9.444 6.441 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.199 -10.809 6.178 1.00 0.00 C ATOM 0 H PHE A 5 -2.119 -10.838 8.757 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.328 -9.653 6.443 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.934 -8.582 8.826 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.810 -7.685 7.326 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.971 -11.379 7.117 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.222 -7.715 7.148 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.956 -12.574 6.219 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.191 -8.906 6.255 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.060 -11.328 5.785 1.00 0.00 H new ATOM 87 N ASN A 6 -0.343 -7.963 9.138 1.00 0.00 N ATOM 88 CA ASN A 6 0.530 -6.896 9.604 1.00 0.00 C ATOM 89 C ASN A 6 1.956 -7.056 9.114 1.00 0.00 C ATOM 90 O ASN A 6 2.526 -6.105 8.609 1.00 0.00 O ATOM 91 CB ASN A 6 0.534 -6.876 11.124 1.00 0.00 C ATOM 92 CG ASN A 6 1.194 -5.595 11.634 1.00 0.00 C ATOM 93 OD1 ASN A 6 0.613 -4.515 11.536 1.00 0.00 O ATOM 94 ND2 ASN A 6 2.383 -5.652 12.165 1.00 0.00 N ATOM 0 H ASN A 6 -0.858 -8.444 9.876 1.00 0.00 H new ATOM 0 HA ASN A 6 0.141 -5.961 9.200 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.488 -6.941 11.498 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.069 -7.746 11.505 1.00 0.00 H new ATOM 0 HD21 ASN A 6 2.833 -4.800 12.500 1.00 0.00 H new ATOM 0 HD22 ASN A 6 2.863 -6.548 12.245 1.00 0.00 H new ATOM 101 N LYS A 7 2.522 -8.253 9.239 1.00 0.00 N ATOM 102 CA LYS A 7 3.887 -8.481 8.786 1.00 0.00 C ATOM 103 C LYS A 7 4.003 -8.193 7.295 1.00 0.00 C ATOM 104 O LYS A 7 4.955 -7.554 6.850 1.00 0.00 O ATOM 105 CB LYS A 7 4.300 -9.920 9.098 1.00 0.00 C ATOM 106 CG LYS A 7 5.748 -10.186 8.642 1.00 0.00 C ATOM 107 CD LYS A 7 6.743 -9.434 9.546 1.00 0.00 C ATOM 108 CE LYS A 7 7.216 -8.148 8.854 1.00 0.00 C ATOM 109 NZ LYS A 7 8.472 -7.670 9.499 1.00 0.00 N ATOM 0 H LYS A 7 2.063 -9.069 9.645 1.00 0.00 H new ATOM 0 HA LYS A 7 4.559 -7.804 9.313 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.212 -10.104 10.169 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.624 -10.614 8.598 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.955 -11.256 8.674 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.874 -9.867 7.607 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.270 -9.191 10.498 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.598 -10.072 9.769 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.387 -8.335 7.794 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.445 -7.381 8.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.793 -6.799 9.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.294 -7.477 10.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.207 -8.401 9.412 1.00 0.00 H new ATOM 123 N GLU A 8 3.007 -8.642 6.542 1.00 0.00 N ATOM 124 CA GLU A 8 2.968 -8.418 5.106 1.00 0.00 C ATOM 125 C GLU A 8 2.651 -6.948 4.820 1.00 0.00 C ATOM 126 O GLU A 8 3.159 -6.356 3.867 1.00 0.00 O ATOM 127 CB GLU A 8 1.902 -9.350 4.528 1.00 0.00 C ATOM 128 CG GLU A 8 1.821 -9.204 3.010 1.00 0.00 C ATOM 129 CD GLU A 8 0.889 -10.265 2.416 1.00 0.00 C ATOM 130 OE1 GLU A 8 -0.131 -10.551 3.025 1.00 0.00 O ATOM 131 OE2 GLU A 8 1.207 -10.775 1.354 1.00 0.00 O ATOM 0 H GLU A 8 2.212 -9.166 6.907 1.00 0.00 H new ATOM 0 HA GLU A 8 3.930 -8.634 4.642 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.136 -10.383 4.787 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.933 -9.122 4.972 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.458 -8.209 2.754 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.816 -9.302 2.576 1.00 0.00 H new ATOM 138 N ARG A 9 1.810 -6.383 5.678 1.00 0.00 N ATOM 139 CA ARG A 9 1.392 -5.002 5.590 1.00 0.00 C ATOM 140 C ARG A 9 2.508 -4.045 5.969 1.00 0.00 C ATOM 141 O ARG A 9 2.561 -2.966 5.434 1.00 0.00 O ATOM 142 CB ARG A 9 0.156 -4.753 6.459 1.00 0.00 C ATOM 143 CG ARG A 9 -1.073 -5.345 5.755 1.00 0.00 C ATOM 144 CD ARG A 9 -2.336 -5.154 6.600 1.00 0.00 C ATOM 145 NE ARG A 9 -2.773 -3.757 6.567 1.00 0.00 N ATOM 146 CZ ARG A 9 -2.387 -2.886 7.493 1.00 0.00 C ATOM 147 NH1 ARG A 9 -2.822 -2.999 8.717 1.00 0.00 N ATOM 148 NH2 ARG A 9 -1.575 -1.918 7.177 1.00 0.00 N ATOM 0 H ARG A 9 1.397 -6.885 6.464 1.00 0.00 H new ATOM 0 HA ARG A 9 1.135 -4.809 4.549 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.286 -5.211 7.440 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.019 -3.684 6.622 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.205 -4.867 4.784 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.913 -6.407 5.569 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.131 -5.798 6.225 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.140 -5.455 7.629 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.388 -3.445 5.816 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.459 -3.756 8.964 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.525 -2.330 9.427 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.236 -1.829 6.219 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.278 -1.249 7.887 1.00 0.00 H new ATOM 162 N VAL A 10 3.383 -4.434 6.901 1.00 0.00 N ATOM 163 CA VAL A 10 4.482 -3.549 7.324 1.00 0.00 C ATOM 164 C VAL A 10 5.334 -3.257 6.119 1.00 0.00 C ATOM 165 O VAL A 10 5.737 -2.126 5.845 1.00 0.00 O ATOM 166 CB VAL A 10 5.423 -4.200 8.358 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.452 -3.154 8.831 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.654 -4.750 9.562 1.00 0.00 C ATOM 0 H VAL A 10 3.357 -5.338 7.372 1.00 0.00 H new ATOM 0 HA VAL A 10 4.023 -2.666 7.769 1.00 0.00 H new ATOM 0 HB VAL A 10 5.927 -5.040 7.879 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.121 -3.607 9.563 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.032 -2.802 7.978 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.931 -2.312 9.288 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.354 -5.200 10.266 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.117 -3.938 10.053 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.943 -5.504 9.226 1.00 0.00 H new ATOM 178 N ILE A 11 5.605 -4.332 5.427 1.00 0.00 N ATOM 179 CA ILE A 11 6.406 -4.302 4.245 1.00 0.00 C ATOM 180 C ILE A 11 5.714 -3.463 3.183 1.00 0.00 C ATOM 181 O ILE A 11 6.317 -2.598 2.561 1.00 0.00 O ATOM 182 CB ILE A 11 6.554 -5.745 3.764 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.216 -6.593 4.869 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.393 -5.794 2.489 1.00 0.00 C ATOM 185 CD1 ILE A 11 7.071 -8.080 4.529 1.00 0.00 C ATOM 0 H ILE A 11 5.269 -5.262 5.677 1.00 0.00 H new ATOM 0 HA ILE A 11 7.384 -3.862 4.443 1.00 0.00 H new ATOM 0 HB ILE A 11 5.566 -6.151 3.544 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.270 -6.331 4.960 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.750 -6.382 5.832 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.491 -6.828 2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.906 -5.207 1.710 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.382 -5.382 2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.539 -8.679 5.310 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.014 -8.336 4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.557 -8.284 3.575 1.00 0.00 H new ATOM 197 N ALA A 12 4.437 -3.763 2.997 1.00 0.00 N ATOM 198 CA ALA A 12 3.609 -3.098 2.008 1.00 0.00 C ATOM 199 C ALA A 12 3.277 -1.654 2.365 1.00 0.00 C ATOM 200 O ALA A 12 3.420 -0.763 1.533 1.00 0.00 O ATOM 201 CB ALA A 12 2.330 -3.886 1.894 1.00 0.00 C ATOM 0 H ALA A 12 3.946 -4.479 3.532 1.00 0.00 H new ATOM 0 HA ALA A 12 4.163 -3.060 1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.678 -3.417 1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.557 -4.905 1.581 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.828 -3.907 2.861 1.00 0.00 H new ATOM 207 N ILE A 13 2.850 -1.421 3.601 1.00 0.00 N ATOM 208 CA ILE A 13 2.531 -0.081 4.044 1.00 0.00 C ATOM 209 C ILE A 13 3.791 0.746 3.949 1.00 0.00 C ATOM 210 O ILE A 13 3.766 1.900 3.559 1.00 0.00 O ATOM 211 CB ILE A 13 2.013 -0.097 5.497 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.431 1.287 5.832 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.156 -0.456 6.467 1.00 0.00 C ATOM 214 CD1 ILE A 13 1.796 1.708 7.256 1.00 0.00 C ATOM 0 H ILE A 13 2.719 -2.145 4.308 1.00 0.00 H new ATOM 0 HA ILE A 13 1.746 0.344 3.418 1.00 0.00 H new ATOM 0 HB ILE A 13 1.234 -0.852 5.603 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.808 2.025 5.124 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.347 1.265 5.723 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.777 -0.464 7.489 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.548 -1.442 6.218 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.952 0.284 6.381 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.371 2.690 7.465 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.397 0.982 7.964 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.881 1.753 7.355 1.00 0.00 H new ATOM 226 N GLY A 14 4.897 0.103 4.287 1.00 0.00 N ATOM 227 CA GLY A 14 6.186 0.730 4.233 1.00 0.00 C ATOM 228 C GLY A 14 6.524 1.046 2.784 1.00 0.00 C ATOM 229 O GLY A 14 7.105 2.094 2.491 1.00 0.00 O ATOM 0 H GLY A 14 4.915 -0.866 4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.185 1.644 4.827 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.943 0.072 4.661 1.00 0.00 H new ATOM 233 N GLU A 15 6.129 0.140 1.867 1.00 0.00 N ATOM 234 CA GLU A 15 6.379 0.362 0.451 1.00 0.00 C ATOM 235 C GLU A 15 5.498 1.495 -0.061 1.00 0.00 C ATOM 236 O GLU A 15 5.948 2.378 -0.791 1.00 0.00 O ATOM 237 CB GLU A 15 6.005 -0.892 -0.355 1.00 0.00 C ATOM 238 CG GLU A 15 6.965 -2.054 -0.075 1.00 0.00 C ATOM 239 CD GLU A 15 7.779 -2.374 -1.330 1.00 0.00 C ATOM 240 OE1 GLU A 15 8.822 -1.765 -1.508 1.00 0.00 O ATOM 241 OE2 GLU A 15 7.344 -3.215 -2.100 1.00 0.00 O ATOM 0 H GLU A 15 5.646 -0.731 2.087 1.00 0.00 H new ATOM 0 HA GLU A 15 7.436 0.601 0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.987 -1.193 -0.108 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.018 -0.658 -1.419 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.634 -1.794 0.746 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.403 -2.934 0.238 1.00 0.00 H new ATOM 248 N ILE A 16 4.224 1.423 0.314 1.00 0.00 N ATOM 249 CA ILE A 16 3.232 2.398 -0.108 1.00 0.00 C ATOM 250 C ILE A 16 3.417 3.773 0.542 1.00 0.00 C ATOM 251 O ILE A 16 3.275 4.804 -0.113 1.00 0.00 O ATOM 252 CB ILE A 16 1.838 1.802 0.115 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.629 0.777 -1.004 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.717 2.865 0.073 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.484 -0.162 -0.674 1.00 0.00 C ATOM 0 H ILE A 16 3.854 0.688 0.917 1.00 0.00 H new ATOM 0 HA ILE A 16 3.364 2.599 -1.171 1.00 0.00 H new ATOM 0 HB ILE A 16 1.785 1.354 1.107 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.422 1.294 -1.941 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.544 0.203 -1.152 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.247 2.384 0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.890 3.607 0.853 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.717 3.355 -0.901 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.357 -0.880 -1.485 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.705 -0.695 0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.434 0.413 -0.551 1.00 0.00 H new ATOM 267 N MET A 17 3.719 3.780 1.829 1.00 0.00 N ATOM 268 CA MET A 17 3.914 5.029 2.561 1.00 0.00 C ATOM 269 C MET A 17 5.112 5.808 1.997 1.00 0.00 C ATOM 270 O MET A 17 5.206 7.023 2.174 1.00 0.00 O ATOM 271 CB MET A 17 4.098 4.730 4.058 1.00 0.00 C ATOM 272 CG MET A 17 2.747 4.313 4.671 1.00 0.00 C ATOM 273 SD MET A 17 1.633 5.732 4.805 1.00 0.00 S ATOM 274 CE MET A 17 0.078 4.790 4.796 1.00 0.00 C ATOM 0 H MET A 17 3.835 2.938 2.392 1.00 0.00 H new ATOM 0 HA MET A 17 3.030 5.655 2.439 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.831 3.935 4.193 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.485 5.611 4.570 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.286 3.541 4.055 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.909 3.879 5.657 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.745 5.444 5.083 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.103 4.396 3.796 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.149 3.964 5.504 1.00 0.00 H new ATOM 284 N ARG A 18 6.012 5.097 1.303 1.00 0.00 N ATOM 285 CA ARG A 18 7.191 5.715 0.695 1.00 0.00 C ATOM 286 C ARG A 18 6.790 6.571 -0.507 1.00 0.00 C ATOM 287 O ARG A 18 7.393 7.612 -0.775 1.00 0.00 O ATOM 288 CB ARG A 18 8.158 4.610 0.244 1.00 0.00 C ATOM 289 CG ARG A 18 9.388 5.216 -0.442 1.00 0.00 C ATOM 290 CD ARG A 18 10.298 4.091 -0.937 1.00 0.00 C ATOM 291 NE ARG A 18 11.522 4.645 -1.508 1.00 0.00 N ATOM 292 CZ ARG A 18 12.099 4.097 -2.571 1.00 0.00 C ATOM 293 NH1 ARG A 18 12.873 3.059 -2.431 1.00 0.00 N ATOM 294 NH2 ARG A 18 11.889 4.598 -3.755 1.00 0.00 N ATOM 0 H ARG A 18 5.942 4.091 1.150 1.00 0.00 H new ATOM 0 HA ARG A 18 7.676 6.358 1.429 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.470 4.018 1.105 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.650 3.932 -0.442 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.080 5.844 -1.278 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.929 5.856 0.255 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.543 3.423 -0.112 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.776 3.495 -1.686 1.00 0.00 H new ATOM 0 HE ARG A 18 11.943 5.470 -1.081 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.037 2.666 -1.504 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.316 2.639 -3.248 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.282 5.410 -3.865 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.332 4.178 -4.572 1.00 0.00 H new ATOM 308 N LEU A 19 5.784 6.085 -1.228 1.00 0.00 N ATOM 309 CA LEU A 19 5.271 6.734 -2.435 1.00 0.00 C ATOM 310 C LEU A 19 5.100 8.250 -2.262 1.00 0.00 C ATOM 311 O LEU A 19 4.186 8.705 -1.570 1.00 0.00 O ATOM 312 CB LEU A 19 3.937 6.088 -2.799 1.00 0.00 C ATOM 313 CG LEU A 19 4.123 4.563 -2.861 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.795 3.882 -3.148 1.00 0.00 C ATOM 315 CD2 LEU A 19 5.140 4.215 -3.948 1.00 0.00 C ATOM 0 H LEU A 19 5.296 5.221 -0.990 1.00 0.00 H new ATOM 0 HA LEU A 19 5.998 6.596 -3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.179 6.346 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.586 6.464 -3.760 1.00 0.00 H new ATOM 0 HG LEU A 19 4.492 4.209 -1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.941 2.803 -3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.085 4.122 -2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.406 4.232 -4.104 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.271 3.134 -3.991 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.780 4.576 -4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.095 4.687 -3.717 1.00 0.00 H new ATOM 327 N PRO A 20 5.971 9.032 -2.878 1.00 0.00 N ATOM 328 CA PRO A 20 5.933 10.522 -2.794 1.00 0.00 C ATOM 329 C PRO A 20 4.860 11.152 -3.688 1.00 0.00 C ATOM 330 O PRO A 20 4.613 12.356 -3.598 1.00 0.00 O ATOM 331 CB PRO A 20 7.327 10.969 -3.281 1.00 0.00 C ATOM 332 CG PRO A 20 8.088 9.730 -3.645 1.00 0.00 C ATOM 333 CD PRO A 20 7.091 8.582 -3.718 1.00 0.00 C ATOM 0 HA PRO A 20 5.690 10.838 -1.779 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.239 11.633 -4.141 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.847 11.525 -2.501 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.594 9.859 -4.602 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.858 9.522 -2.902 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.771 8.395 -4.743 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.523 7.654 -3.344 1.00 0.00 H new ATOM 341 N ASN A 21 4.258 10.351 -4.576 1.00 0.00 N ATOM 342 CA ASN A 21 3.256 10.881 -5.509 1.00 0.00 C ATOM 343 C ASN A 21 1.836 10.430 -5.170 1.00 0.00 C ATOM 344 O ASN A 21 1.004 10.219 -6.060 1.00 0.00 O ATOM 345 CB ASN A 21 3.621 10.464 -6.930 1.00 0.00 C ATOM 346 CG ASN A 21 4.711 11.381 -7.486 1.00 0.00 C ATOM 347 OD1 ASN A 21 4.617 12.604 -7.369 1.00 0.00 O ATOM 348 ND2 ASN A 21 5.738 10.863 -8.089 1.00 0.00 N ATOM 0 H ASN A 21 4.442 9.352 -4.668 1.00 0.00 H new ATOM 0 HA ASN A 21 3.265 11.968 -5.422 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.967 9.430 -6.936 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.738 10.508 -7.568 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.467 11.469 -8.466 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.816 9.851 -8.186 1.00 0.00 H new ATOM 355 N LEU A 22 1.560 10.311 -3.884 1.00 0.00 N ATOM 356 CA LEU A 22 0.234 9.919 -3.424 1.00 0.00 C ATOM 357 C LEU A 22 -0.218 10.805 -2.290 1.00 0.00 C ATOM 358 O LEU A 22 0.581 11.196 -1.436 1.00 0.00 O ATOM 359 CB LEU A 22 0.237 8.470 -2.944 1.00 0.00 C ATOM 360 CG LEU A 22 0.408 7.538 -4.136 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.810 6.153 -3.648 1.00 0.00 C ATOM 362 CD2 LEU A 22 -0.914 7.440 -4.892 1.00 0.00 C ATOM 0 H LEU A 22 2.234 10.479 -3.137 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.452 10.023 -4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.045 8.315 -2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.695 8.246 -2.425 1.00 0.00 H new ATOM 0 HG LEU A 22 1.183 7.930 -4.795 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.932 5.487 -4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.751 6.219 -3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.035 5.760 -2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.796 6.774 -5.746 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.684 7.047 -4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.207 8.430 -5.242 1.00 0.00 H new ATOM 374 N ASN A 23 -1.517 11.057 -2.250 1.00 0.00 N ATOM 375 CA ASN A 23 -2.086 11.834 -1.166 1.00 0.00 C ATOM 376 C ASN A 23 -2.306 10.865 -0.030 1.00 0.00 C ATOM 377 O ASN A 23 -2.374 9.656 -0.263 1.00 0.00 O ATOM 378 CB ASN A 23 -3.399 12.500 -1.597 1.00 0.00 C ATOM 379 CG ASN A 23 -4.211 11.554 -2.476 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.982 10.748 -1.968 1.00 0.00 O ATOM 381 ND2 ASN A 23 -4.069 11.600 -3.772 1.00 0.00 N ATOM 0 H ASN A 23 -2.189 10.738 -2.948 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.422 12.644 -0.865 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.979 12.777 -0.717 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.186 13.420 -2.141 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.601 10.964 -4.366 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.426 12.272 -4.191 1.00 0.00 H new ATOM 388 N SER A 24 -2.384 11.364 1.190 1.00 0.00 N ATOM 389 CA SER A 24 -2.551 10.476 2.324 1.00 0.00 C ATOM 390 C SER A 24 -3.699 9.512 2.102 1.00 0.00 C ATOM 391 O SER A 24 -3.623 8.374 2.506 1.00 0.00 O ATOM 392 CB SER A 24 -2.803 11.252 3.599 1.00 0.00 C ATOM 393 OG SER A 24 -3.937 12.095 3.432 1.00 0.00 O ATOM 0 H SER A 24 -2.336 12.357 1.418 1.00 0.00 H new ATOM 0 HA SER A 24 -1.622 9.914 2.423 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.968 10.564 4.428 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.927 11.850 3.851 1.00 0.00 H new ATOM 0 HG SER A 24 -4.098 12.594 4.260 1.00 0.00 H new ATOM 399 N LEU A 25 -4.751 9.968 1.449 1.00 0.00 N ATOM 400 CA LEU A 25 -5.894 9.110 1.199 1.00 0.00 C ATOM 401 C LEU A 25 -5.502 7.945 0.338 1.00 0.00 C ATOM 402 O LEU A 25 -5.820 6.826 0.672 1.00 0.00 O ATOM 403 CB LEU A 25 -6.989 9.875 0.485 1.00 0.00 C ATOM 404 CG LEU A 25 -7.347 11.159 1.240 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.369 12.294 0.896 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.742 11.574 0.805 1.00 0.00 C ATOM 0 H LEU A 25 -4.838 10.917 1.085 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.255 8.756 2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.664 10.122 -0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.874 9.246 0.391 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.295 10.974 2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.647 13.193 1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.357 11.998 1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.409 12.497 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.029 12.488 1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.750 11.751 -0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.450 10.781 1.047 1.00 0.00 H new ATOM 418 N GLN A 26 -4.794 8.214 -0.755 1.00 0.00 N ATOM 419 CA GLN A 26 -4.348 7.149 -1.627 1.00 0.00 C ATOM 420 C GLN A 26 -3.375 6.279 -0.888 1.00 0.00 C ATOM 421 O GLN A 26 -3.466 5.060 -0.910 1.00 0.00 O ATOM 422 CB GLN A 26 -3.660 7.719 -2.841 1.00 0.00 C ATOM 423 CG GLN A 26 -4.710 8.266 -3.803 1.00 0.00 C ATOM 424 CD GLN A 26 -5.409 7.119 -4.532 1.00 0.00 C ATOM 425 OE1 GLN A 26 -6.634 7.015 -4.496 1.00 0.00 O ATOM 426 NE2 GLN A 26 -4.698 6.245 -5.188 1.00 0.00 N ATOM 0 H GLN A 26 -4.523 9.152 -1.050 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.215 6.568 -1.942 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.973 8.512 -2.545 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.066 6.948 -3.332 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.443 8.858 -3.254 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.239 8.932 -4.526 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.682 6.332 -5.217 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.158 5.474 -5.672 1.00 0.00 H new ATOM 435 N VAL A 27 -2.474 6.944 -0.192 1.00 0.00 N ATOM 436 CA VAL A 27 -1.475 6.279 0.604 1.00 0.00 C ATOM 437 C VAL A 27 -2.184 5.373 1.595 1.00 0.00 C ATOM 438 O VAL A 27 -1.819 4.213 1.786 1.00 0.00 O ATOM 439 CB VAL A 27 -0.673 7.375 1.334 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.105 6.823 2.520 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.310 8.038 0.365 1.00 0.00 C ATOM 0 H VAL A 27 -2.418 7.962 -0.166 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.800 5.672 0.000 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.393 8.104 1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.654 7.631 3.003 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.588 6.378 3.234 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.806 6.064 2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.872 8.811 0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.999 7.288 -0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.241 8.487 -0.461 1.00 0.00 H new ATOM 451 N VAL A 28 -3.228 5.926 2.186 1.00 0.00 N ATOM 452 CA VAL A 28 -4.057 5.203 3.135 1.00 0.00 C ATOM 453 C VAL A 28 -4.931 4.181 2.438 1.00 0.00 C ATOM 454 O VAL A 28 -5.209 3.108 2.969 1.00 0.00 O ATOM 455 CB VAL A 28 -4.861 6.150 3.999 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.648 5.320 5.019 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.868 7.050 4.737 1.00 0.00 C ATOM 0 H VAL A 28 -3.525 6.888 2.022 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.395 4.651 3.802 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.550 6.748 3.403 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.235 5.984 5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.315 4.636 4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.954 4.749 5.636 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.413 7.749 5.372 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.210 6.437 5.353 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.273 7.606 4.013 1.00 0.00 H new ATOM 467 N ALA A 29 -5.364 4.548 1.245 1.00 0.00 N ATOM 468 CA ALA A 29 -6.215 3.709 0.433 1.00 0.00 C ATOM 469 C ALA A 29 -5.546 2.385 0.278 1.00 0.00 C ATOM 470 O ALA A 29 -6.178 1.332 0.287 1.00 0.00 O ATOM 471 CB ALA A 29 -6.339 4.332 -0.945 1.00 0.00 C ATOM 0 H ALA A 29 -5.131 5.442 0.813 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.196 3.603 0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.979 3.709 -1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.776 5.327 -0.857 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.351 4.408 -1.400 1.00 0.00 H new ATOM 477 N PHE A 30 -4.238 2.469 0.162 1.00 0.00 N ATOM 478 CA PHE A 30 -3.442 1.321 0.040 1.00 0.00 C ATOM 479 C PHE A 30 -3.371 0.614 1.350 1.00 0.00 C ATOM 480 O PHE A 30 -3.459 -0.603 1.366 1.00 0.00 O ATOM 481 CB PHE A 30 -2.077 1.724 -0.414 1.00 0.00 C ATOM 482 CG PHE A 30 -2.139 1.914 -1.891 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.349 0.816 -2.722 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.035 3.187 -2.420 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.463 1.003 -4.090 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.144 3.384 -3.777 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.369 2.290 -4.628 1.00 0.00 C ATOM 0 H PHE A 30 -3.720 3.347 0.152 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.878 0.642 -0.693 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.764 2.644 0.079 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.345 0.959 -0.155 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.423 -0.176 -2.302 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.868 4.030 -1.766 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.624 0.156 -4.740 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.057 4.379 -4.187 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.469 2.442 -5.693 1.00 0.00 H new ATOM 497 N ILE A 31 -3.265 1.370 2.459 1.00 0.00 N ATOM 498 CA ILE A 31 -3.232 0.705 3.761 1.00 0.00 C ATOM 499 C ILE A 31 -4.489 -0.138 3.852 1.00 0.00 C ATOM 500 O ILE A 31 -4.486 -1.265 4.354 1.00 0.00 O ATOM 501 CB ILE A 31 -3.292 1.685 4.942 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.148 2.689 4.898 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.202 0.897 6.261 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.368 3.723 6.012 1.00 0.00 C ATOM 0 H ILE A 31 -3.204 2.388 2.478 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.300 0.143 3.825 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.234 2.230 4.876 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.193 2.182 5.034 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.112 3.181 3.926 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.244 1.589 7.102 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.036 0.198 6.325 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.262 0.345 6.292 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.558 4.452 5.997 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.318 4.233 5.853 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.385 3.219 6.978 1.00 0.00 H new ATOM 516 N ASN A 32 -5.562 0.462 3.345 1.00 0.00 N ATOM 517 CA ASN A 32 -6.864 -0.162 3.338 1.00 0.00 C ATOM 518 C ASN A 32 -6.923 -1.345 2.380 1.00 0.00 C ATOM 519 O ASN A 32 -7.540 -2.359 2.689 1.00 0.00 O ATOM 520 CB ASN A 32 -7.897 0.898 2.951 1.00 0.00 C ATOM 521 CG ASN A 32 -8.083 1.912 4.083 1.00 0.00 C ATOM 522 OD1 ASN A 32 -7.729 1.648 5.232 1.00 0.00 O ATOM 523 ND2 ASN A 32 -8.619 3.071 3.820 1.00 0.00 N ATOM 0 H ASN A 32 -5.545 1.394 2.930 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.077 -0.557 4.331 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.576 1.412 2.045 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.850 0.419 2.725 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.744 3.756 4.565 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.913 3.293 2.869 1.00 0.00 H new ATOM 530 N SER A 33 -6.285 -1.221 1.223 1.00 0.00 N ATOM 531 CA SER A 33 -6.293 -2.299 0.253 1.00 0.00 C ATOM 532 C SER A 33 -5.573 -3.533 0.791 1.00 0.00 C ATOM 533 O SER A 33 -5.941 -4.659 0.460 1.00 0.00 O ATOM 534 CB SER A 33 -5.635 -1.839 -1.038 1.00 0.00 C ATOM 535 OG SER A 33 -6.279 -0.662 -1.507 1.00 0.00 O ATOM 0 H SER A 33 -5.762 -0.393 0.939 1.00 0.00 H new ATOM 0 HA SER A 33 -7.330 -2.570 0.057 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.576 -1.644 -0.869 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.698 -2.625 -1.791 1.00 0.00 H new ATOM 0 HG SER A 33 -5.984 0.106 -0.975 1.00 0.00 H new ATOM 541 N LEU A 34 -4.531 -3.315 1.602 1.00 0.00 N ATOM 542 CA LEU A 34 -3.760 -4.450 2.151 1.00 0.00 C ATOM 543 C LEU A 34 -4.637 -5.334 3.033 1.00 0.00 C ATOM 544 O LEU A 34 -4.607 -6.553 2.923 1.00 0.00 O ATOM 545 CB LEU A 34 -2.560 -4.015 3.016 1.00 0.00 C ATOM 546 CG LEU A 34 -1.893 -2.732 2.514 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.588 -2.491 3.276 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.579 -2.829 1.022 1.00 0.00 C ATOM 0 H LEU A 34 -4.204 -2.393 1.890 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.397 -4.987 1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.895 -3.866 4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.823 -4.818 3.034 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.584 -1.906 2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.119 -1.576 2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.801 -2.392 4.340 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.087 -3.332 3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.106 -1.905 0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.904 -3.667 0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.503 -2.984 0.465 1.00 0.00 H new ATOM 560 N ARG A 35 -5.406 -4.714 3.920 1.00 0.00 N ATOM 561 CA ARG A 35 -6.280 -5.468 4.819 1.00 0.00 C ATOM 562 C ARG A 35 -7.450 -6.043 4.037 1.00 0.00 C ATOM 563 O ARG A 35 -7.906 -7.157 4.303 1.00 0.00 O ATOM 564 CB ARG A 35 -6.742 -4.574 5.978 1.00 0.00 C ATOM 565 CG ARG A 35 -7.997 -3.770 5.613 1.00 0.00 C ATOM 566 CD ARG A 35 -8.220 -2.662 6.647 1.00 0.00 C ATOM 567 NE ARG A 35 -9.550 -2.081 6.484 1.00 0.00 N ATOM 568 CZ ARG A 35 -9.750 -1.005 5.734 1.00 0.00 C ATOM 569 NH1 ARG A 35 -9.884 -1.127 4.446 1.00 0.00 N ATOM 570 NH2 ARG A 35 -9.813 0.171 6.287 1.00 0.00 N ATOM 0 H ARG A 35 -5.445 -3.702 4.038 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.731 -6.303 5.253 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.947 -5.191 6.853 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.939 -3.890 6.252 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.886 -3.336 4.619 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.865 -4.428 5.578 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.113 -3.067 7.653 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.461 -1.889 6.532 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.344 -2.512 6.958 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.835 -2.049 4.013 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.038 -0.300 3.869 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.709 0.266 7.297 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.967 0.998 5.710 1.00 0.00 H new ATOM 584 N ASP A 36 -7.897 -5.280 3.043 1.00 0.00 N ATOM 585 CA ASP A 36 -8.979 -5.705 2.175 1.00 0.00 C ATOM 586 C ASP A 36 -8.476 -6.833 1.285 1.00 0.00 C ATOM 587 O ASP A 36 -9.261 -7.613 0.739 1.00 0.00 O ATOM 588 CB ASP A 36 -9.453 -4.519 1.317 1.00 0.00 C ATOM 589 CG ASP A 36 -10.087 -3.417 2.183 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.448 -3.691 3.320 1.00 0.00 O ATOM 591 OD2 ASP A 36 -10.199 -2.305 1.692 1.00 0.00 O ATOM 0 H ASP A 36 -7.520 -4.358 2.822 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.820 -6.059 2.771 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.609 -4.108 0.764 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.178 -4.867 0.581 1.00 0.00 H new ATOM 596 N ASP A 37 -7.146 -6.900 1.148 1.00 0.00 N ATOM 597 CA ASP A 37 -6.507 -7.922 0.323 1.00 0.00 C ATOM 598 C ASP A 37 -4.996 -7.980 0.599 1.00 0.00 C ATOM 599 O ASP A 37 -4.206 -7.309 -0.075 1.00 0.00 O ATOM 600 CB ASP A 37 -6.755 -7.615 -1.161 1.00 0.00 C ATOM 601 CG ASP A 37 -6.585 -8.883 -1.998 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.605 -9.582 -1.790 1.00 0.00 O ATOM 603 OD2 ASP A 37 -7.433 -9.138 -2.834 1.00 0.00 O ATOM 0 H ASP A 37 -6.495 -6.257 1.599 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.939 -8.891 0.573 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.760 -7.215 -1.294 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.059 -6.849 -1.503 1.00 0.00 H new ATOM 608 N PRO A 38 -4.578 -8.763 1.572 1.00 0.00 N ATOM 609 CA PRO A 38 -3.136 -8.900 1.932 1.00 0.00 C ATOM 610 C PRO A 38 -2.343 -9.663 0.876 1.00 0.00 C ATOM 611 O PRO A 38 -1.164 -9.391 0.669 1.00 0.00 O ATOM 612 CB PRO A 38 -3.130 -9.643 3.274 1.00 0.00 C ATOM 613 CG PRO A 38 -4.555 -9.883 3.649 1.00 0.00 C ATOM 614 CD PRO A 38 -5.425 -9.599 2.427 1.00 0.00 C ATOM 0 HA PRO A 38 -2.653 -7.925 1.996 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.590 -10.586 3.190 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.625 -9.053 4.039 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.692 -10.912 3.982 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.843 -9.238 4.479 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.716 -10.520 1.922 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.345 -9.083 2.703 1.00 0.00 H new ATOM 622 N SER A 39 -3.000 -10.602 0.191 1.00 0.00 N ATOM 623 CA SER A 39 -2.328 -11.371 -0.853 1.00 0.00 C ATOM 624 C SER A 39 -1.896 -10.420 -1.957 1.00 0.00 C ATOM 625 O SER A 39 -0.905 -10.655 -2.650 1.00 0.00 O ATOM 626 CB SER A 39 -3.254 -12.457 -1.413 1.00 0.00 C ATOM 627 OG SER A 39 -4.269 -11.866 -2.214 1.00 0.00 O ATOM 0 H SER A 39 -3.980 -10.844 0.338 1.00 0.00 H new ATOM 0 HA SER A 39 -1.455 -11.868 -0.431 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.678 -13.167 -2.007 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.706 -13.018 -0.595 1.00 0.00 H new ATOM 0 HG SER A 39 -4.624 -11.074 -1.760 1.00 0.00 H new ATOM 633 N GLN A 40 -2.652 -9.329 -2.082 1.00 0.00 N ATOM 634 CA GLN A 40 -2.365 -8.307 -3.070 1.00 0.00 C ATOM 635 C GLN A 40 -1.531 -7.180 -2.465 1.00 0.00 C ATOM 636 O GLN A 40 -1.320 -6.164 -3.111 1.00 0.00 O ATOM 637 CB GLN A 40 -3.670 -7.740 -3.642 1.00 0.00 C ATOM 638 CG GLN A 40 -4.330 -8.784 -4.555 1.00 0.00 C ATOM 639 CD GLN A 40 -5.638 -8.246 -5.142 1.00 0.00 C ATOM 640 OE1 GLN A 40 -6.260 -8.908 -5.969 1.00 0.00 O ATOM 641 NE2 GLN A 40 -6.101 -7.084 -4.759 1.00 0.00 N ATOM 0 H GLN A 40 -3.470 -9.136 -1.505 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.791 -8.767 -3.874 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.347 -7.471 -2.831 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.467 -6.828 -4.203 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.647 -9.051 -5.362 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.528 -9.695 -3.990 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.587 -6.531 -4.073 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -6.976 -6.731 -5.147 1.00 0.00 H new ATOM 650 N SER A 41 -1.028 -7.373 -1.237 1.00 0.00 N ATOM 651 CA SER A 41 -0.196 -6.353 -0.590 1.00 0.00 C ATOM 652 C SER A 41 0.948 -6.018 -1.529 1.00 0.00 C ATOM 653 O SER A 41 1.365 -4.875 -1.630 1.00 0.00 O ATOM 654 CB SER A 41 0.361 -6.880 0.746 1.00 0.00 C ATOM 655 OG SER A 41 1.254 -7.953 0.479 1.00 0.00 O ATOM 0 H SER A 41 -1.181 -8.214 -0.680 1.00 0.00 H new ATOM 0 HA SER A 41 -0.792 -5.465 -0.381 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.878 -6.083 1.280 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.453 -7.217 1.387 1.00 0.00 H new ATOM 0 HG SER A 41 0.741 -8.767 0.295 1.00 0.00 H new ATOM 661 N ALA A 42 1.407 -7.054 -2.229 1.00 0.00 N ATOM 662 CA ALA A 42 2.480 -6.946 -3.206 1.00 0.00 C ATOM 663 C ALA A 42 2.021 -6.214 -4.471 1.00 0.00 C ATOM 664 O ALA A 42 2.780 -5.474 -5.095 1.00 0.00 O ATOM 665 CB ALA A 42 2.939 -8.347 -3.589 1.00 0.00 C ATOM 0 H ALA A 42 1.038 -8.000 -2.130 1.00 0.00 H new ATOM 0 HA ALA A 42 3.293 -6.375 -2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.744 -8.279 -4.321 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.299 -8.867 -2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.103 -8.899 -4.019 1.00 0.00 H new ATOM 671 N ASN A 43 0.776 -6.451 -4.849 1.00 0.00 N ATOM 672 CA ASN A 43 0.186 -5.836 -6.023 1.00 0.00 C ATOM 673 C ASN A 43 -0.113 -4.387 -5.764 1.00 0.00 C ATOM 674 O ASN A 43 -0.120 -3.552 -6.658 1.00 0.00 O ATOM 675 CB ASN A 43 -1.140 -6.500 -6.286 1.00 0.00 C ATOM 676 CG ASN A 43 -1.496 -6.437 -7.769 1.00 0.00 C ATOM 677 OD1 ASN A 43 -1.607 -7.471 -8.426 1.00 0.00 O ATOM 678 ND2 ASN A 43 -1.672 -5.278 -8.338 1.00 0.00 N ATOM 0 H ASN A 43 0.146 -7.077 -4.348 1.00 0.00 H new ATOM 0 HA ASN A 43 0.881 -5.939 -6.856 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.101 -7.540 -5.961 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.918 -6.012 -5.700 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -1.902 -5.227 -9.330 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.579 -4.422 -7.791 1.00 0.00 H new ATOM 685 N LEU A 44 -0.484 -4.152 -4.529 1.00 0.00 N ATOM 686 CA LEU A 44 -0.925 -2.851 -4.104 1.00 0.00 C ATOM 687 C LEU A 44 0.152 -1.814 -4.176 1.00 0.00 C ATOM 688 O LEU A 44 -0.112 -0.730 -4.667 1.00 0.00 O ATOM 689 CB LEU A 44 -1.545 -2.982 -2.732 1.00 0.00 C ATOM 690 CG LEU A 44 -2.866 -3.736 -2.930 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.354 -4.363 -1.629 1.00 0.00 C ATOM 692 CD2 LEU A 44 -3.903 -2.768 -3.476 1.00 0.00 C ATOM 0 H LEU A 44 -0.488 -4.858 -3.793 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.682 -2.484 -4.797 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.884 -3.525 -2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.719 -2.002 -2.288 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.706 -4.550 -3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.292 -4.889 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.607 -5.067 -1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.512 -3.582 -0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.848 -3.291 -3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.046 -1.951 -2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.560 -2.367 -4.430 1.00 0.00 H new ATOM 704 N LEU A 45 1.378 -2.137 -3.782 1.00 0.00 N ATOM 705 CA LEU A 45 2.432 -1.132 -3.960 1.00 0.00 C ATOM 706 C LEU A 45 2.634 -1.020 -5.450 1.00 0.00 C ATOM 707 O LEU A 45 2.957 0.024 -5.958 1.00 0.00 O ATOM 708 CB LEU A 45 3.817 -1.352 -3.292 1.00 0.00 C ATOM 709 CG LEU A 45 3.898 -2.575 -2.398 1.00 0.00 C ATOM 710 CD1 LEU A 45 2.846 -2.504 -1.299 1.00 0.00 C ATOM 711 CD2 LEU A 45 3.745 -3.810 -3.267 1.00 0.00 C ATOM 0 H LEU A 45 1.662 -3.023 -3.364 1.00 0.00 H new ATOM 0 HA LEU A 45 2.069 -0.243 -3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.573 -1.438 -4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.066 -0.470 -2.702 1.00 0.00 H new ATOM 0 HG LEU A 45 4.864 -2.620 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.919 -3.390 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.011 -1.612 -0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.854 -2.459 -1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.800 -4.703 -2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.781 -3.781 -3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.544 -3.835 -4.008 1.00 0.00 H new ATOM 723 N ALA A 46 2.419 -2.140 -6.143 1.00 0.00 N ATOM 724 CA ALA A 46 2.555 -2.174 -7.594 1.00 0.00 C ATOM 725 C ALA A 46 1.567 -1.184 -8.183 1.00 0.00 C ATOM 726 O ALA A 46 1.900 -0.379 -9.052 1.00 0.00 O ATOM 727 CB ALA A 46 2.222 -3.572 -8.111 1.00 0.00 C ATOM 0 H ALA A 46 2.151 -3.030 -5.722 1.00 0.00 H new ATOM 0 HA ALA A 46 3.576 -1.920 -7.879 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.325 -3.593 -9.196 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.905 -4.296 -7.668 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.198 -3.826 -7.839 1.00 0.00 H new ATOM 733 N GLU A 47 0.361 -1.238 -7.635 1.00 0.00 N ATOM 734 CA GLU A 47 -0.713 -0.354 -8.010 1.00 0.00 C ATOM 735 C GLU A 47 -0.343 1.049 -7.595 1.00 0.00 C ATOM 736 O GLU A 47 -0.432 1.996 -8.361 1.00 0.00 O ATOM 737 CB GLU A 47 -1.949 -0.784 -7.224 1.00 0.00 C ATOM 738 CG GLU A 47 -2.853 -1.671 -8.077 1.00 0.00 C ATOM 739 CD GLU A 47 -3.701 -2.568 -7.174 1.00 0.00 C ATOM 740 OE1 GLU A 47 -3.181 -3.573 -6.711 1.00 0.00 O ATOM 741 OE2 GLU A 47 -4.853 -2.235 -6.950 1.00 0.00 O ATOM 0 H GLU A 47 0.107 -1.908 -6.909 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.898 -0.389 -9.084 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.645 -1.323 -6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.501 0.097 -6.896 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.499 -1.054 -8.702 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.250 -2.282 -8.748 1.00 0.00 H new ATOM 748 N ALA A 48 0.076 1.129 -6.349 1.00 0.00 N ATOM 749 CA ALA A 48 0.476 2.370 -5.721 1.00 0.00 C ATOM 750 C ALA A 48 1.620 3.022 -6.472 1.00 0.00 C ATOM 751 O ALA A 48 1.586 4.216 -6.752 1.00 0.00 O ATOM 752 CB ALA A 48 0.888 2.083 -4.296 1.00 0.00 C ATOM 0 H ALA A 48 0.149 0.319 -5.734 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.366 3.062 -5.736 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.192 3.011 -3.811 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.047 1.649 -3.755 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.722 1.382 -4.293 1.00 0.00 H new ATOM 758 N LYS A 49 2.611 2.223 -6.826 1.00 0.00 N ATOM 759 CA LYS A 49 3.738 2.722 -7.595 1.00 0.00 C ATOM 760 C LYS A 49 3.198 3.232 -8.925 1.00 0.00 C ATOM 761 O LYS A 49 3.657 4.249 -9.445 1.00 0.00 O ATOM 762 CB LYS A 49 4.781 1.614 -7.813 1.00 0.00 C ATOM 763 CG LYS A 49 5.544 1.356 -6.501 1.00 0.00 C ATOM 764 CD LYS A 49 6.503 0.171 -6.675 1.00 0.00 C ATOM 765 CE LYS A 49 7.077 -0.237 -5.310 1.00 0.00 C ATOM 766 NZ LYS A 49 8.191 -1.207 -5.507 1.00 0.00 N ATOM 0 H LYS A 49 2.659 1.231 -6.595 1.00 0.00 H new ATOM 0 HA LYS A 49 4.237 3.529 -7.058 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.290 0.699 -8.146 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.478 1.906 -8.599 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.102 2.247 -6.214 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.839 1.149 -5.696 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.978 -0.671 -7.125 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.312 0.442 -7.354 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.437 0.643 -4.778 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.296 -0.684 -4.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.579 -1.483 -4.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.833 -2.051 -5.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.939 -0.765 -6.078 1.00 0.00 H new ATOM 780 N LYS A 50 2.167 2.537 -9.434 1.00 0.00 N ATOM 781 CA LYS A 50 1.511 2.945 -10.668 1.00 0.00 C ATOM 782 C LYS A 50 0.732 4.227 -10.413 1.00 0.00 C ATOM 783 O LYS A 50 0.670 5.105 -11.261 1.00 0.00 O ATOM 784 CB LYS A 50 0.560 1.839 -11.164 1.00 0.00 C ATOM 785 CG LYS A 50 1.089 1.233 -12.473 1.00 0.00 C ATOM 786 CD LYS A 50 2.142 0.153 -12.171 1.00 0.00 C ATOM 787 CE LYS A 50 1.455 -1.195 -11.918 1.00 0.00 C ATOM 788 NZ LYS A 50 2.393 -2.102 -11.197 1.00 0.00 N ATOM 0 H LYS A 50 1.778 1.696 -9.006 1.00 0.00 H new ATOM 0 HA LYS A 50 2.264 3.118 -11.437 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.468 1.061 -10.406 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.437 2.250 -11.322 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.265 0.800 -13.041 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.527 2.015 -13.093 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.835 0.066 -13.008 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.729 0.440 -11.299 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.549 -1.049 -11.330 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.152 -1.644 -12.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.954 -3.038 -11.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.273 -2.196 -11.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.607 -1.706 -10.260 1.00 0.00 H new ATOM 802 N LEU A 51 0.155 4.310 -9.212 1.00 0.00 N ATOM 803 CA LEU A 51 -0.621 5.467 -8.782 1.00 0.00 C ATOM 804 C LEU A 51 0.283 6.668 -8.642 1.00 0.00 C ATOM 805 O LEU A 51 -0.063 7.777 -9.035 1.00 0.00 O ATOM 806 CB LEU A 51 -1.240 5.193 -7.410 1.00 0.00 C ATOM 807 CG LEU A 51 -2.685 4.701 -7.500 1.00 0.00 C ATOM 808 CD1 LEU A 51 -3.581 5.858 -7.963 1.00 0.00 C ATOM 809 CD2 LEU A 51 -2.789 3.482 -8.444 1.00 0.00 C ATOM 0 H LEU A 51 0.215 3.572 -8.511 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.397 5.656 -9.524 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.639 4.449 -6.888 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.208 6.105 -6.813 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.023 4.371 -6.518 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.613 5.515 -8.030 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.517 6.677 -7.247 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.250 6.205 -8.942 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.825 3.148 -8.494 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.450 3.764 -9.441 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.165 2.673 -8.064 1.00 0.00 H new ATOM 821 N ASN A 52 1.451 6.417 -8.065 1.00 0.00 N ATOM 822 CA ASN A 52 2.433 7.456 -7.851 1.00 0.00 C ATOM 823 C ASN A 52 2.829 8.012 -9.198 1.00 0.00 C ATOM 824 O ASN A 52 2.852 9.224 -9.418 1.00 0.00 O ATOM 825 CB ASN A 52 3.632 6.833 -7.091 1.00 0.00 C ATOM 826 CG ASN A 52 5.028 7.279 -7.597 1.00 0.00 C ATOM 827 OD1 ASN A 52 5.183 8.247 -8.335 1.00 0.00 O ATOM 828 ND2 ASN A 52 6.075 6.609 -7.218 1.00 0.00 N ATOM 0 H ASN A 52 1.737 5.494 -7.737 1.00 0.00 H new ATOM 0 HA ASN A 52 2.044 8.278 -7.250 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.546 7.088 -6.035 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.565 5.747 -7.163 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.003 6.891 -7.534 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.969 5.801 -6.605 1.00 0.00 H new ATOM 835 N ASP A 53 3.125 7.101 -10.096 1.00 0.00 N ATOM 836 CA ASP A 53 3.517 7.461 -11.426 1.00 0.00 C ATOM 837 C ASP A 53 2.339 8.070 -12.189 1.00 0.00 C ATOM 838 O ASP A 53 2.515 8.962 -13.021 1.00 0.00 O ATOM 839 CB ASP A 53 4.018 6.208 -12.156 1.00 0.00 C ATOM 840 CG ASP A 53 5.247 5.605 -11.454 1.00 0.00 C ATOM 841 OD1 ASP A 53 5.919 6.317 -10.719 1.00 0.00 O ATOM 842 OD2 ASP A 53 5.496 4.429 -11.663 1.00 0.00 O ATOM 0 H ASP A 53 3.099 6.097 -9.920 1.00 0.00 H new ATOM 0 HA ASP A 53 4.313 8.204 -11.375 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.221 5.466 -12.198 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.273 6.462 -13.185 1.00 0.00 H new ATOM 847 N ALA A 54 1.146 7.537 -11.920 1.00 0.00 N ATOM 848 CA ALA A 54 -0.077 7.977 -12.607 1.00 0.00 C ATOM 849 C ALA A 54 -0.606 9.329 -12.151 1.00 0.00 C ATOM 850 O ALA A 54 -1.084 10.121 -12.965 1.00 0.00 O ATOM 851 CB ALA A 54 -1.174 6.971 -12.320 1.00 0.00 C ATOM 0 H ALA A 54 0.997 6.799 -11.231 1.00 0.00 H new ATOM 0 HA ALA A 54 0.187 8.059 -13.661 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.091 7.280 -12.822 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.873 5.990 -12.687 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.348 6.919 -11.245 1.00 0.00 H new ATOM 857 N GLN A 55 -0.563 9.565 -10.848 1.00 0.00 N ATOM 858 CA GLN A 55 -1.089 10.798 -10.289 1.00 0.00 C ATOM 859 C GLN A 55 -0.090 11.913 -10.382 1.00 0.00 C ATOM 860 O GLN A 55 -0.424 13.023 -10.799 1.00 0.00 O ATOM 861 CB GLN A 55 -1.437 10.595 -8.819 1.00 0.00 C ATOM 862 CG GLN A 55 -2.655 9.681 -8.676 1.00 0.00 C ATOM 863 CD GLN A 55 -3.002 9.513 -7.201 1.00 0.00 C ATOM 864 OE1 GLN A 55 -4.010 8.895 -6.869 1.00 0.00 O ATOM 865 NE2 GLN A 55 -2.228 10.041 -6.288 1.00 0.00 N ATOM 0 H GLN A 55 -0.171 8.921 -10.162 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.977 11.063 -10.863 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.586 10.160 -8.295 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.641 11.558 -8.352 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.504 10.104 -9.213 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.447 8.709 -9.123 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.391 10.554 -6.564 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.462 9.939 -5.300 1.00 0.00 H new ATOM 874 N ALA A 56 1.132 11.606 -9.950 1.00 0.00 N ATOM 875 CA ALA A 56 2.204 12.604 -9.929 1.00 0.00 C ATOM 876 C ALA A 56 1.627 13.949 -9.433 1.00 0.00 C ATOM 877 O ALA A 56 1.600 14.934 -10.173 1.00 0.00 O ATOM 878 CB ALA A 56 2.802 12.743 -11.333 1.00 0.00 C ATOM 0 H ALA A 56 1.405 10.683 -9.612 1.00 0.00 H new ATOM 0 HA ALA A 56 2.999 12.293 -9.251 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.600 13.486 -11.317 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.207 11.783 -11.653 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.026 13.060 -12.029 1.00 0.00 H new ATOM 884 N PRO A 57 1.106 13.966 -8.207 1.00 0.00 N ATOM 885 CA PRO A 57 0.442 15.149 -7.587 1.00 0.00 C ATOM 886 C PRO A 57 1.117 16.469 -7.947 1.00 0.00 C ATOM 887 O PRO A 57 2.164 16.821 -7.400 1.00 0.00 O ATOM 888 CB PRO A 57 0.498 14.874 -6.070 1.00 0.00 C ATOM 889 CG PRO A 57 1.181 13.556 -5.913 1.00 0.00 C ATOM 890 CD PRO A 57 1.101 12.858 -7.266 1.00 0.00 C ATOM 0 HA PRO A 57 -0.578 15.266 -7.953 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.046 15.661 -5.551 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.504 14.847 -5.642 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.219 13.692 -5.608 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.697 12.959 -5.140 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.947 12.189 -7.426 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.197 12.256 -7.357 1.00 0.00 H new ATOM 898 N LYS A 58 0.491 17.181 -8.882 1.00 0.00 N ATOM 899 CA LYS A 58 0.995 18.472 -9.358 1.00 0.00 C ATOM 900 C LYS A 58 2.473 18.366 -9.777 1.00 0.00 C ATOM 901 O LYS A 58 3.330 18.884 -9.074 1.00 0.00 O ATOM 902 CB LYS A 58 0.796 19.538 -8.264 1.00 0.00 C ATOM 903 CG LYS A 58 -0.698 19.660 -7.945 1.00 0.00 C ATOM 904 CD LYS A 58 -0.926 20.763 -6.907 1.00 0.00 C ATOM 905 CE LYS A 58 -2.395 20.754 -6.477 1.00 0.00 C ATOM 906 NZ LYS A 58 -2.581 21.677 -5.322 1.00 0.00 N ATOM 907 OXT LYS A 58 2.724 17.751 -10.801 1.00 0.00 O ATOM 0 H LYS A 58 -0.375 16.883 -9.330 1.00 0.00 H new ATOM 0 HA LYS A 58 0.431 18.771 -10.242 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.350 19.263 -7.367 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.188 20.498 -8.599 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.255 19.885 -8.855 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.076 18.710 -7.567 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.281 20.605 -6.043 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.664 21.734 -7.327 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.030 21.062 -7.308 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.698 19.744 -6.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.579 21.671 -5.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.986 21.364 -4.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.308 22.641 -5.601 1.00 0.00 H new TER 921 LYS A 58