USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 706 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 41 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 62 GLN : amide:sc= -1.21 K(o=-2.6,f=0.046) USER MOD Set 2.2: A 63 GLN : amide:sc= -1.34 K(o=-2.6,f=-0.26) USER MOD Set 3.1: A 46 MET CE :methyl -149:sc= -2.92 (180deg=-3.69!) USER MOD Set 3.2: A 50 LYS NZ :NH3+ 180:sc= -0.0107 (180deg=0) USER MOD Set 4.1: A 7 GLN : amide:sc= -0.935 K(o=-0.79,f=0.14) USER MOD Set 4.2: A 29 GLN : amide:sc= 0.146 K(o=-0.79,f=-1.9!) USER MOD Set 5.1: A 10 GLN : amide:sc= 0.0306 K(o=-4.2,f=-2.4) USER MOD Set 5.2: A 25 HIS : no HD1:sc= -4.26! C(o=-4.2!,f=-2.4!) USER MOD Set 5.3: A 26 CYS SG : rot 140:sc= 0.0297 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 1.32 (180deg=1.32) USER MOD Single : A 12 ASN : amide:sc= -0.923 K(o=-0.92,f=-1.5!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -1.13 K(o=-1.1,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 68:sc= 0.233 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -2.59! K(o=-2.6!,f=-0.34) USER MOD Single : A 36 GLN : amide:sc= -0.91 K(o=-0.91,f=-0.0003) USER MOD Single : A 37 ASN : amide:sc= 0.591 K(o=0.59,f=-3.9!) USER MOD Single : A 42 SER OG : rot 47:sc= -2.1! USER MOD Single : A 43 ASN : amide:sc= -0.333 K(o=-0.33,f=-8.6!) USER MOD Single : A 44 LYS NZ :NH3+ -175:sc= 1.23 (180deg=1.21) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.637 K(o=-0.64,f=-0.07) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 60 MET CE :methyl 160:sc= -0.575 (180deg=-1.51) USER MOD Single : A 61 CYS SG : rot 72:sc= 0.322 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0338 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.017 USER MOD Single : A 73 HIS : no HE2:sc= -2.22! K(o=-2.2!,f=-3.4) USER MOD Single : A 78 SER OG : rot -36:sc= 0.0117 USER MOD Single : A 79 LYS NZ :NH3+ -178:sc= 2.33 (180deg=2.21) USER MOD Single : A 81 GLN : amide:sc= -5.98! C(o=-6!,f=-8.3!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0.883 K(o=0.88,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 31 N PHE A 4 20.257 -6.506 -6.330 1.00 0.00 N ATOM 32 CA PHE A 4 19.201 -5.724 -6.962 1.00 0.00 C ATOM 33 C PHE A 4 19.849 -4.477 -7.523 1.00 0.00 C ATOM 34 O PHE A 4 19.528 -4.008 -8.612 1.00 0.00 O ATOM 35 CB PHE A 4 18.189 -5.311 -5.892 1.00 0.00 C ATOM 36 CG PHE A 4 17.177 -4.267 -6.319 1.00 0.00 C ATOM 37 CD1 PHE A 4 17.487 -2.897 -6.263 1.00 0.00 C ATOM 38 CD2 PHE A 4 15.908 -4.673 -6.756 1.00 0.00 C ATOM 39 CE1 PHE A 4 16.510 -1.944 -6.573 1.00 0.00 C ATOM 40 CE2 PHE A 4 14.939 -3.717 -7.087 1.00 0.00 C ATOM 41 CZ PHE A 4 15.236 -2.353 -6.981 1.00 0.00 C ATOM 0 HA PHE A 4 18.698 -6.295 -7.743 1.00 0.00 H new ATOM 0 HB2 PHE A 4 17.651 -6.200 -5.563 1.00 0.00 H new ATOM 0 HB3 PHE A 4 18.735 -4.931 -5.028 1.00 0.00 H new ATOM 0 HD1 PHE A 4 18.480 -2.580 -5.981 1.00 0.00 H new ATOM 0 HD2 PHE A 4 15.677 -5.725 -6.838 1.00 0.00 H new ATOM 0 HE1 PHE A 4 16.740 -0.892 -6.497 1.00 0.00 H new ATOM 0 HE2 PHE A 4 13.963 -4.032 -7.424 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.481 -1.616 -7.214 1.00 0.00 H new ATOM 51 N GLU A 5 20.779 -3.951 -6.734 1.00 0.00 N ATOM 52 CA GLU A 5 21.564 -2.791 -7.064 1.00 0.00 C ATOM 53 C GLU A 5 22.255 -2.923 -8.405 1.00 0.00 C ATOM 54 O GLU A 5 22.266 -1.974 -9.175 1.00 0.00 O ATOM 55 CB GLU A 5 22.641 -2.670 -6.006 1.00 0.00 C ATOM 56 CG GLU A 5 22.022 -2.322 -4.655 1.00 0.00 C ATOM 57 CD GLU A 5 23.100 -2.119 -3.595 1.00 0.00 C ATOM 58 OE1 GLU A 5 23.649 -3.143 -3.130 1.00 0.00 O ATOM 59 OE2 GLU A 5 23.370 -0.945 -3.260 1.00 0.00 O ATOM 0 H GLU A 5 21.007 -4.341 -5.819 1.00 0.00 H new ATOM 0 HA GLU A 5 20.903 -1.926 -7.109 1.00 0.00 H new ATOM 0 HB2 GLU A 5 23.192 -3.607 -5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 5 23.358 -1.901 -6.294 1.00 0.00 H new ATOM 0 HG2 GLU A 5 21.423 -1.416 -4.748 1.00 0.00 H new ATOM 0 HG3 GLU A 5 21.347 -3.119 -4.344 1.00 0.00 H new ATOM 66 N LYS A 6 22.842 -4.078 -8.723 1.00 0.00 N ATOM 67 CA LYS A 6 23.643 -4.115 -9.924 1.00 0.00 C ATOM 68 C LYS A 6 22.726 -4.177 -11.126 1.00 0.00 C ATOM 69 O LYS A 6 23.000 -3.585 -12.159 1.00 0.00 O ATOM 70 CB LYS A 6 24.552 -5.329 -9.895 1.00 0.00 C ATOM 71 CG LYS A 6 25.922 -4.960 -9.337 1.00 0.00 C ATOM 72 CD LYS A 6 25.848 -4.563 -7.862 1.00 0.00 C ATOM 73 CE LYS A 6 27.265 -4.284 -7.366 1.00 0.00 C ATOM 74 NZ LYS A 6 27.266 -3.894 -5.947 1.00 0.00 N ATOM 0 H LYS A 6 22.779 -4.948 -8.194 1.00 0.00 H new ATOM 0 HA LYS A 6 24.260 -3.219 -9.986 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.103 -6.112 -9.284 1.00 0.00 H new ATOM 0 HB3 LYS A 6 24.660 -5.733 -10.901 1.00 0.00 H new ATOM 0 HG2 LYS A 6 26.601 -5.805 -9.452 1.00 0.00 H new ATOM 0 HG3 LYS A 6 26.339 -4.135 -9.915 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.222 -3.679 -7.738 1.00 0.00 H new ATOM 0 HD3 LYS A 6 25.392 -5.361 -7.277 1.00 0.00 H new ATOM 0 HE2 LYS A 6 27.882 -5.172 -7.502 1.00 0.00 H new ATOM 0 HE3 LYS A 6 27.713 -3.490 -7.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 28.242 -3.711 -5.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 26.696 -3.033 -5.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 26.860 -4.662 -5.375 1.00 0.00 H new ATOM 88 N GLN A 7 21.621 -4.900 -10.975 1.00 0.00 N ATOM 89 CA GLN A 7 20.593 -5.016 -11.985 1.00 0.00 C ATOM 90 C GLN A 7 19.963 -3.654 -12.257 1.00 0.00 C ATOM 91 O GLN A 7 19.235 -3.493 -13.234 1.00 0.00 O ATOM 92 CB GLN A 7 19.551 -5.991 -11.454 1.00 0.00 C ATOM 93 CG GLN A 7 20.218 -7.330 -11.131 1.00 0.00 C ATOM 94 CD GLN A 7 20.507 -8.110 -12.402 1.00 0.00 C ATOM 95 OE1 GLN A 7 21.657 -8.247 -12.812 1.00 0.00 O ATOM 96 NE2 GLN A 7 19.457 -8.622 -13.034 1.00 0.00 N ATOM 0 H GLN A 7 21.418 -5.430 -10.127 1.00 0.00 H new ATOM 0 HA GLN A 7 21.011 -5.376 -12.925 1.00 0.00 H new ATOM 0 HB2 GLN A 7 19.079 -5.583 -10.560 1.00 0.00 H new ATOM 0 HB3 GLN A 7 18.763 -6.135 -12.193 1.00 0.00 H new ATOM 0 HG2 GLN A 7 21.146 -7.157 -10.586 1.00 0.00 H new ATOM 0 HG3 GLN A 7 19.570 -7.916 -10.479 1.00 0.00 H new ATOM 0 HE21 GLN A 7 18.519 -8.484 -12.658 1.00 0.00 H new ATOM 0 HE22 GLN A 7 19.589 -9.153 -13.895 1.00 0.00 H new ATOM 105 N LYS A 8 20.244 -2.672 -11.391 1.00 0.00 N ATOM 106 CA LYS A 8 19.674 -1.350 -11.484 1.00 0.00 C ATOM 107 C LYS A 8 20.720 -0.384 -12.012 1.00 0.00 C ATOM 108 O LYS A 8 20.441 0.393 -12.917 1.00 0.00 O ATOM 109 CB LYS A 8 19.238 -1.006 -10.067 1.00 0.00 C ATOM 110 CG LYS A 8 18.567 0.351 -9.969 1.00 0.00 C ATOM 111 CD LYS A 8 18.036 0.448 -8.547 1.00 0.00 C ATOM 112 CE LYS A 8 19.177 0.470 -7.532 1.00 0.00 C ATOM 113 NZ LYS A 8 19.992 1.698 -7.638 1.00 0.00 N ATOM 0 H LYS A 8 20.881 -2.789 -10.603 1.00 0.00 H new ATOM 0 HA LYS A 8 18.829 -1.293 -12.170 1.00 0.00 H new ATOM 0 HB2 LYS A 8 18.551 -1.772 -9.707 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.108 -1.024 -9.410 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.275 1.153 -10.178 1.00 0.00 H new ATOM 0 HG3 LYS A 8 17.759 0.441 -10.695 1.00 0.00 H new ATOM 0 HD2 LYS A 8 17.434 1.351 -8.441 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.380 -0.398 -8.342 1.00 0.00 H new ATOM 0 HE2 LYS A 8 18.767 0.393 -6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.814 -0.401 -7.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 20.754 1.671 -6.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 20.405 1.759 -8.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 19.391 2.529 -7.467 1.00 0.00 H new ATOM 127 N GLU A 9 21.919 -0.449 -11.438 1.00 0.00 N ATOM 128 CA GLU A 9 23.032 0.430 -11.746 1.00 0.00 C ATOM 129 C GLU A 9 23.710 0.058 -13.054 1.00 0.00 C ATOM 130 O GLU A 9 24.302 0.912 -13.712 1.00 0.00 O ATOM 131 CB GLU A 9 24.040 0.318 -10.610 1.00 0.00 C ATOM 132 CG GLU A 9 23.344 0.711 -9.310 1.00 0.00 C ATOM 133 CD GLU A 9 23.244 2.220 -9.153 1.00 0.00 C ATOM 134 OE1 GLU A 9 24.300 2.866 -8.961 1.00 0.00 O ATOM 135 OE2 GLU A 9 22.095 2.710 -9.229 1.00 0.00 O ATOM 0 H GLU A 9 22.145 -1.140 -10.722 1.00 0.00 H new ATOM 0 HA GLU A 9 22.656 1.448 -11.853 1.00 0.00 H new ATOM 0 HB2 GLU A 9 24.424 -0.700 -10.542 1.00 0.00 H new ATOM 0 HB3 GLU A 9 24.894 0.969 -10.795 1.00 0.00 H new ATOM 0 HG2 GLU A 9 22.344 0.277 -9.288 1.00 0.00 H new ATOM 0 HG3 GLU A 9 23.891 0.294 -8.465 1.00 0.00 H new ATOM 142 N GLN A 10 23.626 -1.215 -13.438 1.00 0.00 N ATOM 143 CA GLN A 10 24.179 -1.632 -14.717 1.00 0.00 C ATOM 144 C GLN A 10 23.429 -0.959 -15.860 1.00 0.00 C ATOM 145 O GLN A 10 24.044 -0.491 -16.810 1.00 0.00 O ATOM 146 CB GLN A 10 24.080 -3.151 -14.868 1.00 0.00 C ATOM 147 CG GLN A 10 25.004 -3.630 -15.989 1.00 0.00 C ATOM 148 CD GLN A 10 24.433 -4.872 -16.661 1.00 0.00 C ATOM 149 OE1 GLN A 10 24.871 -5.992 -16.401 1.00 0.00 O ATOM 150 NE2 GLN A 10 23.449 -4.670 -17.529 1.00 0.00 N ATOM 0 H GLN A 10 23.190 -1.958 -12.893 1.00 0.00 H new ATOM 0 HA GLN A 10 25.227 -1.336 -14.751 1.00 0.00 H new ATOM 0 HB2 GLN A 10 24.352 -3.636 -13.930 1.00 0.00 H new ATOM 0 HB3 GLN A 10 23.051 -3.436 -15.088 1.00 0.00 H new ATOM 0 HG2 GLN A 10 25.131 -2.837 -16.726 1.00 0.00 H new ATOM 0 HG3 GLN A 10 25.992 -3.851 -15.584 1.00 0.00 H new ATOM 0 HE21 GLN A 10 23.118 -3.723 -17.713 1.00 0.00 H new ATOM 0 HE22 GLN A 10 23.024 -5.462 -18.012 1.00 0.00 H new ATOM 159 N GLY A 11 22.099 -0.909 -15.770 1.00 0.00 N ATOM 160 CA GLY A 11 21.278 -0.271 -16.788 1.00 0.00 C ATOM 161 C GLY A 11 21.166 1.232 -16.544 1.00 0.00 C ATOM 162 O GLY A 11 20.828 1.981 -17.458 1.00 0.00 O ATOM 0 H GLY A 11 21.569 -1.307 -14.995 1.00 0.00 H new ATOM 0 HA2 GLY A 11 21.709 -0.451 -17.773 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.283 -0.717 -16.789 1.00 0.00 H new ATOM 166 N ASN A 12 21.450 1.676 -15.315 1.00 0.00 N ATOM 167 CA ASN A 12 21.393 3.069 -14.915 1.00 0.00 C ATOM 168 C ASN A 12 22.294 3.900 -15.815 1.00 0.00 C ATOM 169 O ASN A 12 21.989 5.060 -16.064 1.00 0.00 O ATOM 170 CB ASN A 12 21.862 3.113 -13.463 1.00 0.00 C ATOM 171 CG ASN A 12 21.926 4.452 -12.757 1.00 0.00 C ATOM 172 OD1 ASN A 12 21.820 5.519 -13.349 1.00 0.00 O ATOM 173 ND2 ASN A 12 22.111 4.362 -11.444 1.00 0.00 N ATOM 0 H ASN A 12 21.732 1.053 -14.558 1.00 0.00 H new ATOM 0 HA ASN A 12 20.388 3.481 -15.004 1.00 0.00 H new ATOM 0 HB2 ASN A 12 21.204 2.466 -12.884 1.00 0.00 H new ATOM 0 HB3 ASN A 12 22.858 2.672 -13.424 1.00 0.00 H new ATOM 0 HD21 ASN A 12 22.171 5.209 -10.878 1.00 0.00 H new ATOM 0 HD22 ASN A 12 22.193 3.446 -11.002 1.00 0.00 H new ATOM 180 N SER A 13 23.397 3.328 -16.307 1.00 0.00 N ATOM 181 CA SER A 13 24.263 4.063 -17.215 1.00 0.00 C ATOM 182 C SER A 13 23.811 3.888 -18.663 1.00 0.00 C ATOM 183 O SER A 13 23.850 4.843 -19.436 1.00 0.00 O ATOM 184 CB SER A 13 25.704 3.603 -17.033 1.00 0.00 C ATOM 185 OG SER A 13 25.838 2.245 -17.401 1.00 0.00 O ATOM 0 H SER A 13 23.702 2.378 -16.094 1.00 0.00 H new ATOM 0 HA SER A 13 24.200 5.125 -16.979 1.00 0.00 H new ATOM 0 HB2 SER A 13 26.368 4.218 -17.640 1.00 0.00 H new ATOM 0 HB3 SER A 13 26.007 3.736 -15.994 1.00 0.00 H new ATOM 0 HG SER A 13 26.769 1.964 -17.280 1.00 0.00 H new ATOM 191 N LEU A 14 23.377 2.682 -19.046 1.00 0.00 N ATOM 192 CA LEU A 14 22.899 2.378 -20.385 1.00 0.00 C ATOM 193 C LEU A 14 21.718 3.258 -20.791 1.00 0.00 C ATOM 194 O LEU A 14 21.562 3.588 -21.965 1.00 0.00 O ATOM 195 CB LEU A 14 22.528 0.908 -20.393 1.00 0.00 C ATOM 196 CG LEU A 14 23.773 0.056 -20.115 1.00 0.00 C ATOM 197 CD1 LEU A 14 23.575 -1.217 -20.894 1.00 0.00 C ATOM 198 CD2 LEU A 14 25.113 0.625 -20.583 1.00 0.00 C ATOM 0 H LEU A 14 23.351 1.880 -18.417 1.00 0.00 H new ATOM 0 HA LEU A 14 23.677 2.586 -21.119 1.00 0.00 H new ATOM 0 HB2 LEU A 14 21.766 0.712 -19.639 1.00 0.00 H new ATOM 0 HB3 LEU A 14 22.099 0.637 -21.358 1.00 0.00 H new ATOM 0 HG LEU A 14 23.845 -0.032 -19.031 1.00 0.00 H new ATOM 0 HD11 LEU A 14 24.431 -1.874 -20.740 1.00 0.00 H new ATOM 0 HD12 LEU A 14 22.668 -1.716 -20.552 1.00 0.00 H new ATOM 0 HD13 LEU A 14 23.482 -0.984 -21.955 1.00 0.00 H new ATOM 0 HD21 LEU A 14 25.913 -0.070 -20.328 1.00 0.00 H new ATOM 0 HD22 LEU A 14 25.089 0.770 -21.663 1.00 0.00 H new ATOM 0 HD23 LEU A 14 25.294 1.581 -20.092 1.00 0.00 H new ATOM 210 N PHE A 15 20.885 3.639 -19.822 1.00 0.00 N ATOM 211 CA PHE A 15 19.746 4.513 -20.058 1.00 0.00 C ATOM 212 C PHE A 15 20.204 5.908 -20.454 1.00 0.00 C ATOM 213 O PHE A 15 19.499 6.614 -21.171 1.00 0.00 O ATOM 214 CB PHE A 15 18.949 4.586 -18.758 1.00 0.00 C ATOM 215 CG PHE A 15 18.098 5.822 -18.579 1.00 0.00 C ATOM 216 CD1 PHE A 15 16.927 5.999 -19.329 1.00 0.00 C ATOM 217 CD2 PHE A 15 18.480 6.786 -17.643 1.00 0.00 C ATOM 218 CE1 PHE A 15 16.136 7.141 -19.131 1.00 0.00 C ATOM 219 CE2 PHE A 15 17.651 7.882 -17.384 1.00 0.00 C ATOM 220 CZ PHE A 15 16.493 8.077 -18.147 1.00 0.00 C ATOM 0 H PHE A 15 20.986 3.347 -18.850 1.00 0.00 H new ATOM 0 HA PHE A 15 19.138 4.119 -20.873 1.00 0.00 H new ATOM 0 HB2 PHE A 15 18.302 3.711 -18.700 1.00 0.00 H new ATOM 0 HB3 PHE A 15 19.646 4.523 -17.922 1.00 0.00 H new ATOM 0 HD1 PHE A 15 16.634 5.258 -20.058 1.00 0.00 H new ATOM 0 HD2 PHE A 15 19.418 6.685 -17.118 1.00 0.00 H new ATOM 0 HE1 PHE A 15 15.254 7.300 -19.734 1.00 0.00 H new ATOM 0 HE2 PHE A 15 17.903 8.577 -16.597 1.00 0.00 H new ATOM 0 HZ PHE A 15 15.875 8.947 -17.979 1.00 0.00 H new ATOM 230 N LYS A 16 21.386 6.309 -19.992 1.00 0.00 N ATOM 231 CA LYS A 16 21.878 7.656 -20.206 1.00 0.00 C ATOM 232 C LYS A 16 22.704 7.767 -21.491 1.00 0.00 C ATOM 233 O LYS A 16 23.170 8.856 -21.829 1.00 0.00 O ATOM 234 CB LYS A 16 22.741 8.063 -19.012 1.00 0.00 C ATOM 235 CG LYS A 16 22.129 7.564 -17.708 1.00 0.00 C ATOM 236 CD LYS A 16 23.015 7.931 -16.524 1.00 0.00 C ATOM 237 CE LYS A 16 22.789 9.391 -16.135 1.00 0.00 C ATOM 238 NZ LYS A 16 23.630 9.772 -14.988 1.00 0.00 N ATOM 0 H LYS A 16 22.021 5.710 -19.464 1.00 0.00 H new ATOM 0 HA LYS A 16 21.019 8.319 -20.307 1.00 0.00 H new ATOM 0 HB2 LYS A 16 23.745 7.655 -19.127 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.839 9.148 -18.981 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.138 7.998 -17.576 1.00 0.00 H new ATOM 0 HG3 LYS A 16 22.000 6.483 -17.751 1.00 0.00 H new ATOM 0 HD2 LYS A 16 22.792 7.282 -15.677 1.00 0.00 H new ATOM 0 HD3 LYS A 16 24.063 7.772 -16.780 1.00 0.00 H new ATOM 0 HE2 LYS A 16 23.014 10.036 -16.985 1.00 0.00 H new ATOM 0 HE3 LYS A 16 21.739 9.546 -15.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 23.456 10.768 -14.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 23.397 9.171 -14.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 24.632 9.646 -15.235 1.00 0.00 H new ATOM 252 N GLN A 17 22.899 6.657 -22.210 1.00 0.00 N ATOM 253 CA GLN A 17 23.791 6.588 -23.358 1.00 0.00 C ATOM 254 C GLN A 17 23.051 6.583 -24.688 1.00 0.00 C ATOM 255 O GLN A 17 23.663 6.849 -25.724 1.00 0.00 O ATOM 256 CB GLN A 17 24.598 5.290 -23.262 1.00 0.00 C ATOM 257 CG GLN A 17 25.673 5.413 -22.189 1.00 0.00 C ATOM 258 CD GLN A 17 26.687 4.279 -22.285 1.00 0.00 C ATOM 259 OE1 GLN A 17 27.883 4.517 -22.424 1.00 0.00 O ATOM 260 NE2 GLN A 17 26.216 3.037 -22.213 1.00 0.00 N ATOM 0 H GLN A 17 22.433 5.773 -22.004 1.00 0.00 H new ATOM 0 HA GLN A 17 24.423 7.476 -23.333 1.00 0.00 H new ATOM 0 HB2 GLN A 17 23.934 4.458 -23.028 1.00 0.00 H new ATOM 0 HB3 GLN A 17 25.059 5.069 -24.225 1.00 0.00 H new ATOM 0 HG2 GLN A 17 26.184 6.370 -22.292 1.00 0.00 H new ATOM 0 HG3 GLN A 17 25.208 5.405 -21.203 1.00 0.00 H new ATOM 0 HE21 GLN A 17 25.215 2.877 -22.097 1.00 0.00 H new ATOM 0 HE22 GLN A 17 26.856 2.245 -22.273 1.00 0.00 H new ATOM 269 N GLY A 18 21.751 6.285 -24.684 1.00 0.00 N ATOM 270 CA GLY A 18 21.005 6.195 -25.932 1.00 0.00 C ATOM 271 C GLY A 18 20.173 4.941 -26.044 1.00 0.00 C ATOM 272 O GLY A 18 19.213 4.883 -26.811 1.00 0.00 O ATOM 0 H GLY A 18 21.203 6.105 -23.843 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.353 7.064 -26.020 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.704 6.235 -26.768 1.00 0.00 H new ATOM 276 N LEU A 19 20.562 3.937 -25.269 1.00 0.00 N ATOM 277 CA LEU A 19 20.061 2.597 -25.422 1.00 0.00 C ATOM 278 C LEU A 19 19.172 2.240 -24.251 1.00 0.00 C ATOM 279 O LEU A 19 19.425 1.334 -23.461 1.00 0.00 O ATOM 280 CB LEU A 19 21.216 1.655 -25.723 1.00 0.00 C ATOM 281 CG LEU A 19 22.566 1.955 -25.060 1.00 0.00 C ATOM 282 CD1 LEU A 19 22.656 1.183 -23.753 1.00 0.00 C ATOM 283 CD2 LEU A 19 23.714 1.502 -25.957 1.00 0.00 C ATOM 0 H LEU A 19 21.240 4.041 -24.514 1.00 0.00 H new ATOM 0 HA LEU A 19 19.403 2.501 -26.285 1.00 0.00 H new ATOM 0 HB2 LEU A 19 20.914 0.649 -25.431 1.00 0.00 H new ATOM 0 HB3 LEU A 19 21.367 1.642 -26.802 1.00 0.00 H new ATOM 0 HG LEU A 19 22.640 3.029 -24.887 1.00 0.00 H new ATOM 0 HD11 LEU A 19 23.613 1.390 -23.274 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.845 1.490 -23.092 1.00 0.00 H new ATOM 0 HD13 LEU A 19 22.575 0.115 -23.955 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.664 1.723 -25.471 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.637 0.429 -26.133 1.00 0.00 H new ATOM 0 HD23 LEU A 19 23.662 2.030 -26.909 1.00 0.00 H new ATOM 295 N TYR A 20 18.100 3.017 -24.186 1.00 0.00 N ATOM 296 CA TYR A 20 17.061 2.945 -23.187 1.00 0.00 C ATOM 297 C TYR A 20 16.583 1.518 -22.989 1.00 0.00 C ATOM 298 O TYR A 20 16.313 1.128 -21.865 1.00 0.00 O ATOM 299 CB TYR A 20 15.941 3.847 -23.690 1.00 0.00 C ATOM 300 CG TYR A 20 16.489 5.185 -24.121 1.00 0.00 C ATOM 301 CD1 TYR A 20 17.206 5.971 -23.206 1.00 0.00 C ATOM 302 CD2 TYR A 20 16.309 5.631 -25.442 1.00 0.00 C ATOM 303 CE1 TYR A 20 17.746 7.202 -23.614 1.00 0.00 C ATOM 304 CE2 TYR A 20 16.855 6.856 -25.856 1.00 0.00 C ATOM 305 CZ TYR A 20 17.571 7.650 -24.940 1.00 0.00 C ATOM 306 OH TYR A 20 18.099 8.842 -25.333 1.00 0.00 O ATOM 0 H TYR A 20 17.929 3.753 -24.871 1.00 0.00 H new ATOM 0 HA TYR A 20 17.422 3.271 -22.212 1.00 0.00 H new ATOM 0 HB2 TYR A 20 15.431 3.370 -24.527 1.00 0.00 H new ATOM 0 HB3 TYR A 20 15.200 3.988 -22.904 1.00 0.00 H new ATOM 0 HD1 TYR A 20 17.342 5.630 -22.190 1.00 0.00 H new ATOM 0 HD2 TYR A 20 15.748 5.029 -26.141 1.00 0.00 H new ATOM 0 HE1 TYR A 20 18.297 7.808 -22.910 1.00 0.00 H new ATOM 0 HE2 TYR A 20 16.726 7.189 -26.875 1.00 0.00 H new ATOM 0 HH TYR A 20 17.887 8.998 -26.277 1.00 0.00 H new ATOM 316 N ARG A 21 16.477 0.727 -24.063 1.00 0.00 N ATOM 317 CA ARG A 21 15.969 -0.632 -23.959 1.00 0.00 C ATOM 318 C ARG A 21 17.019 -1.509 -23.298 1.00 0.00 C ATOM 319 O ARG A 21 16.691 -2.356 -22.473 1.00 0.00 O ATOM 320 CB ARG A 21 15.697 -1.138 -25.373 1.00 0.00 C ATOM 321 CG ARG A 21 14.549 -2.137 -25.396 1.00 0.00 C ATOM 322 CD ARG A 21 14.567 -3.118 -24.219 1.00 0.00 C ATOM 323 NE ARG A 21 13.518 -4.137 -24.359 1.00 0.00 N ATOM 324 CZ ARG A 21 13.714 -5.362 -24.858 1.00 0.00 C ATOM 325 NH1 ARG A 21 14.918 -5.748 -25.273 1.00 0.00 N ATOM 326 NH2 ARG A 21 12.696 -6.218 -24.943 1.00 0.00 N ATOM 0 H ARG A 21 16.737 1.010 -25.008 1.00 0.00 H new ATOM 0 HA ARG A 21 15.057 -0.659 -23.363 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.461 -0.296 -26.023 1.00 0.00 H new ATOM 0 HB3 ARG A 21 16.597 -1.606 -25.772 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.605 -1.593 -25.390 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.587 -2.700 -26.328 1.00 0.00 H new ATOM 0 HD2 ARG A 21 15.542 -3.602 -24.161 1.00 0.00 H new ATOM 0 HD3 ARG A 21 14.425 -2.573 -23.286 1.00 0.00 H new ATOM 0 HE ARG A 21 12.575 -3.893 -24.055 1.00 0.00 H new ATOM 0 HH11 ARG A 21 15.708 -5.106 -25.213 1.00 0.00 H new ATOM 0 HH12 ARG A 21 15.051 -6.686 -25.651 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.767 -5.939 -24.627 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.846 -7.152 -25.324 1.00 0.00 H new ATOM 340 N GLU A 22 18.282 -1.302 -23.665 1.00 0.00 N ATOM 341 CA GLU A 22 19.380 -2.033 -23.067 1.00 0.00 C ATOM 342 C GLU A 22 19.529 -1.626 -21.605 1.00 0.00 C ATOM 343 O GLU A 22 20.322 -2.210 -20.869 1.00 0.00 O ATOM 344 CB GLU A 22 20.676 -1.749 -23.821 1.00 0.00 C ATOM 345 CG GLU A 22 20.552 -2.164 -25.284 1.00 0.00 C ATOM 346 CD GLU A 22 21.872 -1.995 -26.037 1.00 0.00 C ATOM 347 OE1 GLU A 22 22.910 -2.440 -25.505 1.00 0.00 O ATOM 348 OE2 GLU A 22 21.829 -1.419 -27.149 1.00 0.00 O ATOM 0 H GLU A 22 18.564 -0.629 -24.378 1.00 0.00 H new ATOM 0 HA GLU A 22 19.169 -3.101 -23.125 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.914 -0.687 -23.758 1.00 0.00 H new ATOM 0 HB3 GLU A 22 21.500 -2.288 -23.354 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.232 -3.204 -25.341 1.00 0.00 H new ATOM 0 HG3 GLU A 22 19.779 -1.566 -25.767 1.00 0.00 H new ATOM 355 N ALA A 23 18.763 -0.620 -21.175 1.00 0.00 N ATOM 356 CA ALA A 23 18.698 -0.248 -19.786 1.00 0.00 C ATOM 357 C ALA A 23 17.545 -1.004 -19.115 1.00 0.00 C ATOM 358 O ALA A 23 17.730 -1.598 -18.054 1.00 0.00 O ATOM 359 CB ALA A 23 18.497 1.266 -19.704 1.00 0.00 C ATOM 0 H ALA A 23 18.178 -0.052 -21.788 1.00 0.00 H new ATOM 0 HA ALA A 23 19.619 -0.510 -19.265 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.445 1.570 -18.659 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.333 1.771 -20.187 1.00 0.00 H new ATOM 0 HB3 ALA A 23 17.569 1.538 -20.208 1.00 0.00 H new ATOM 365 N VAL A 24 16.350 -0.986 -19.726 1.00 0.00 N ATOM 366 CA VAL A 24 15.154 -1.599 -19.184 1.00 0.00 C ATOM 367 C VAL A 24 15.252 -3.104 -19.100 1.00 0.00 C ATOM 368 O VAL A 24 14.764 -3.723 -18.161 1.00 0.00 O ATOM 369 CB VAL A 24 13.918 -1.253 -20.011 1.00 0.00 C ATOM 370 CG1 VAL A 24 14.003 0.034 -20.794 1.00 0.00 C ATOM 371 CG2 VAL A 24 13.267 -2.397 -20.771 1.00 0.00 C ATOM 0 H VAL A 24 16.198 -0.533 -20.627 1.00 0.00 H new ATOM 0 HA VAL A 24 15.059 -1.193 -18.177 1.00 0.00 H new ATOM 0 HB VAL A 24 13.195 -1.044 -19.222 1.00 0.00 H new ATOM 0 HG11 VAL A 24 13.075 0.186 -21.346 1.00 0.00 H new ATOM 0 HG12 VAL A 24 14.158 0.867 -20.109 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.837 -0.020 -21.494 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.401 -2.024 -21.318 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.984 -2.822 -21.473 1.00 0.00 H new ATOM 0 HG23 VAL A 24 12.948 -3.166 -20.068 1.00 0.00 H new ATOM 381 N HIS A 25 15.890 -3.690 -20.101 1.00 0.00 N ATOM 382 CA HIS A 25 15.999 -5.128 -20.184 1.00 0.00 C ATOM 383 C HIS A 25 16.860 -5.717 -19.061 1.00 0.00 C ATOM 384 O HIS A 25 17.082 -6.924 -19.020 1.00 0.00 O ATOM 385 CB HIS A 25 16.419 -5.533 -21.597 1.00 0.00 C ATOM 386 CG HIS A 25 17.893 -5.483 -21.880 1.00 0.00 C ATOM 387 ND1 HIS A 25 18.551 -6.318 -22.784 1.00 0.00 N ATOM 388 CD2 HIS A 25 18.790 -4.626 -21.316 1.00 0.00 C ATOM 389 CE1 HIS A 25 19.834 -5.932 -22.748 1.00 0.00 C ATOM 390 NE2 HIS A 25 20.016 -4.943 -21.858 1.00 0.00 N ATOM 0 H HIS A 25 16.339 -3.186 -20.866 1.00 0.00 H new ATOM 0 HA HIS A 25 15.019 -5.574 -20.011 1.00 0.00 H new ATOM 0 HB2 HIS A 25 16.066 -6.547 -21.784 1.00 0.00 H new ATOM 0 HB3 HIS A 25 15.909 -4.882 -22.308 1.00 0.00 H new ATOM 0 HD2 HIS A 25 18.582 -3.854 -20.590 1.00 0.00 H new ATOM 0 HE1 HIS A 25 20.618 -6.360 -23.355 1.00 0.00 H new ATOM 0 HE2 HIS A 25 20.906 -4.503 -21.624 1.00 0.00 H new ATOM 398 N CYS A 26 17.340 -4.859 -18.149 1.00 0.00 N ATOM 399 CA CYS A 26 18.018 -5.259 -16.925 1.00 0.00 C ATOM 400 C CYS A 26 17.257 -4.695 -15.721 1.00 0.00 C ATOM 401 O CYS A 26 17.229 -5.304 -14.653 1.00 0.00 O ATOM 402 CB CYS A 26 19.467 -4.760 -16.950 1.00 0.00 C ATOM 403 SG CYS A 26 20.347 -5.565 -18.316 1.00 0.00 S ATOM 0 H CYS A 26 17.262 -3.847 -18.252 1.00 0.00 H new ATOM 0 HA CYS A 26 18.037 -6.346 -16.845 1.00 0.00 H new ATOM 0 HB2 CYS A 26 19.490 -3.677 -17.074 1.00 0.00 H new ATOM 0 HB3 CYS A 26 19.958 -4.983 -16.003 1.00 0.00 H new ATOM 0 HG CYS A 26 21.127 -4.703 -18.897 1.00 0.00 H new ATOM 409 N TYR A 27 16.633 -3.526 -15.908 1.00 0.00 N ATOM 410 CA TYR A 27 15.683 -2.929 -14.975 1.00 0.00 C ATOM 411 C TYR A 27 14.513 -3.874 -14.741 1.00 0.00 C ATOM 412 O TYR A 27 13.928 -3.878 -13.662 1.00 0.00 O ATOM 413 CB TYR A 27 15.119 -1.684 -15.654 1.00 0.00 C ATOM 414 CG TYR A 27 16.021 -0.488 -15.816 1.00 0.00 C ATOM 415 CD1 TYR A 27 17.261 -0.395 -15.167 1.00 0.00 C ATOM 416 CD2 TYR A 27 15.577 0.565 -16.625 1.00 0.00 C ATOM 417 CE1 TYR A 27 18.037 0.765 -15.311 1.00 0.00 C ATOM 418 CE2 TYR A 27 16.333 1.730 -16.763 1.00 0.00 C ATOM 419 CZ TYR A 27 17.575 1.834 -16.103 1.00 0.00 C ATOM 420 OH TYR A 27 18.317 2.966 -16.218 1.00 0.00 O ATOM 0 H TYR A 27 16.783 -2.955 -16.740 1.00 0.00 H new ATOM 0 HA TYR A 27 16.178 -2.711 -14.029 1.00 0.00 H new ATOM 0 HB2 TYR A 27 14.771 -1.975 -16.645 1.00 0.00 H new ATOM 0 HB3 TYR A 27 14.243 -1.365 -15.089 1.00 0.00 H new ATOM 0 HD1 TYR A 27 17.617 -1.213 -14.559 1.00 0.00 H new ATOM 0 HD2 TYR A 27 14.637 0.475 -17.149 1.00 0.00 H new ATOM 0 HE1 TYR A 27 18.992 0.838 -14.813 1.00 0.00 H new ATOM 0 HE2 TYR A 27 15.970 2.546 -17.371 1.00 0.00 H new ATOM 0 HH TYR A 27 19.135 2.771 -16.722 1.00 0.00 H new ATOM 430 N ASP A 28 14.165 -4.676 -15.749 1.00 0.00 N ATOM 431 CA ASP A 28 13.046 -5.588 -15.675 1.00 0.00 C ATOM 432 C ASP A 28 13.263 -6.623 -14.574 1.00 0.00 C ATOM 433 O ASP A 28 12.295 -7.119 -14.000 1.00 0.00 O ATOM 434 CB ASP A 28 12.859 -6.248 -17.042 1.00 0.00 C ATOM 435 CG ASP A 28 11.570 -7.059 -17.095 1.00 0.00 C ATOM 436 OD1 ASP A 28 10.492 -6.425 -17.112 1.00 0.00 O ATOM 437 OD2 ASP A 28 11.676 -8.307 -17.116 1.00 0.00 O ATOM 0 H ASP A 28 14.661 -4.703 -16.640 1.00 0.00 H new ATOM 0 HA ASP A 28 12.139 -5.041 -15.419 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.842 -5.483 -17.818 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.708 -6.897 -17.254 1.00 0.00 H new ATOM 442 N GLN A 29 14.521 -6.952 -14.264 1.00 0.00 N ATOM 443 CA GLN A 29 14.790 -7.879 -13.185 1.00 0.00 C ATOM 444 C GLN A 29 14.632 -7.231 -11.811 1.00 0.00 C ATOM 445 O GLN A 29 14.573 -7.944 -10.816 1.00 0.00 O ATOM 446 CB GLN A 29 16.188 -8.479 -13.315 1.00 0.00 C ATOM 447 CG GLN A 29 16.275 -9.411 -14.524 1.00 0.00 C ATOM 448 CD GLN A 29 16.850 -8.728 -15.753 1.00 0.00 C ATOM 449 OE1 GLN A 29 18.036 -8.407 -15.791 1.00 0.00 O ATOM 450 NE2 GLN A 29 16.024 -8.493 -16.769 1.00 0.00 N ATOM 0 H GLN A 29 15.348 -6.593 -14.741 1.00 0.00 H new ATOM 0 HA GLN A 29 14.049 -8.674 -13.267 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.923 -7.680 -13.414 1.00 0.00 H new ATOM 0 HB3 GLN A 29 16.437 -9.030 -12.408 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.893 -10.272 -14.270 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.280 -9.791 -14.757 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.045 -8.772 -16.705 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.370 -8.034 -17.612 1.00 0.00 H new ATOM 459 N LEU A 30 14.559 -5.899 -11.732 1.00 0.00 N ATOM 460 CA LEU A 30 14.273 -5.229 -10.468 1.00 0.00 C ATOM 461 C LEU A 30 12.852 -5.556 -10.055 1.00 0.00 C ATOM 462 O LEU A 30 12.558 -5.706 -8.873 1.00 0.00 O ATOM 463 CB LEU A 30 14.398 -3.713 -10.639 1.00 0.00 C ATOM 464 CG LEU A 30 15.759 -3.290 -11.158 1.00 0.00 C ATOM 465 CD1 LEU A 30 15.920 -1.781 -11.050 1.00 0.00 C ATOM 466 CD2 LEU A 30 16.893 -3.964 -10.392 1.00 0.00 C ATOM 0 H LEU A 30 14.693 -5.271 -12.524 1.00 0.00 H new ATOM 0 HA LEU A 30 14.981 -5.567 -9.711 1.00 0.00 H new ATOM 0 HB2 LEU A 30 13.628 -3.365 -11.327 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.213 -3.227 -9.681 1.00 0.00 H new ATOM 0 HG LEU A 30 15.814 -3.599 -12.202 1.00 0.00 H new ATOM 0 HD11 LEU A 30 16.901 -1.492 -11.426 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.146 -1.289 -11.640 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.828 -1.479 -10.007 1.00 0.00 H new ATOM 0 HD21 LEU A 30 17.851 -3.634 -10.795 1.00 0.00 H new ATOM 0 HD22 LEU A 30 16.831 -3.694 -9.338 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.809 -5.046 -10.495 1.00 0.00 H new ATOM 478 N ILE A 31 11.966 -5.671 -11.046 1.00 0.00 N ATOM 479 CA ILE A 31 10.587 -6.011 -10.780 1.00 0.00 C ATOM 480 C ILE A 31 10.461 -7.507 -10.526 1.00 0.00 C ATOM 481 O ILE A 31 9.657 -7.932 -9.715 1.00 0.00 O ATOM 482 CB ILE A 31 9.698 -5.595 -11.953 1.00 0.00 C ATOM 483 CG1 ILE A 31 9.880 -4.130 -12.345 1.00 0.00 C ATOM 484 CG2 ILE A 31 8.277 -5.731 -11.449 1.00 0.00 C ATOM 485 CD1 ILE A 31 10.646 -3.999 -13.653 1.00 0.00 C ATOM 0 H ILE A 31 12.187 -5.532 -12.032 1.00 0.00 H new ATOM 0 HA ILE A 31 10.258 -5.472 -9.891 1.00 0.00 H new ATOM 0 HB ILE A 31 9.943 -6.209 -12.820 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.905 -3.654 -12.443 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.414 -3.603 -11.554 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.582 -5.448 -12.240 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.092 -6.764 -11.156 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.132 -5.078 -10.588 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.759 -2.944 -13.904 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.631 -4.454 -13.545 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.098 -4.505 -14.448 1.00 0.00 H new ATOM 497 N THR A 32 11.243 -8.343 -11.196 1.00 0.00 N ATOM 498 CA THR A 32 11.150 -9.769 -10.929 1.00 0.00 C ATOM 499 C THR A 32 11.848 -10.132 -9.621 1.00 0.00 C ATOM 500 O THR A 32 11.479 -11.119 -8.986 1.00 0.00 O ATOM 501 CB THR A 32 11.800 -10.505 -12.101 1.00 0.00 C ATOM 502 OG1 THR A 32 10.998 -10.353 -13.252 1.00 0.00 O ATOM 503 CG2 THR A 32 12.029 -11.993 -11.847 1.00 0.00 C ATOM 0 H THR A 32 11.925 -8.071 -11.904 1.00 0.00 H new ATOM 0 HA THR A 32 10.104 -10.058 -10.826 1.00 0.00 H new ATOM 0 HB THR A 32 12.784 -10.055 -12.238 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.414 -10.823 -14.005 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.493 -12.445 -12.724 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.684 -12.118 -10.985 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.074 -12.480 -11.651 1.00 0.00 H new ATOM 511 N ALA A 33 12.852 -9.354 -9.199 1.00 0.00 N ATOM 512 CA ALA A 33 13.534 -9.620 -7.945 1.00 0.00 C ATOM 513 C ALA A 33 12.763 -8.983 -6.791 1.00 0.00 C ATOM 514 O ALA A 33 12.818 -9.461 -5.661 1.00 0.00 O ATOM 515 CB ALA A 33 14.949 -9.037 -7.995 1.00 0.00 C ATOM 0 H ALA A 33 13.202 -8.543 -9.709 1.00 0.00 H new ATOM 0 HA ALA A 33 13.589 -10.698 -7.791 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.459 -9.238 -7.053 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.503 -9.497 -8.813 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.893 -7.960 -8.155 1.00 0.00 H new ATOM 521 N GLN A 34 12.045 -7.900 -7.097 1.00 0.00 N ATOM 522 CA GLN A 34 11.245 -7.166 -6.147 1.00 0.00 C ATOM 523 C GLN A 34 10.016 -6.608 -6.849 1.00 0.00 C ATOM 524 O GLN A 34 9.907 -5.415 -7.122 1.00 0.00 O ATOM 525 CB GLN A 34 12.138 -6.067 -5.606 1.00 0.00 C ATOM 526 CG GLN A 34 11.948 -5.759 -4.126 1.00 0.00 C ATOM 527 CD GLN A 34 13.029 -4.749 -3.770 1.00 0.00 C ATOM 528 OE1 GLN A 34 12.784 -3.751 -3.095 1.00 0.00 O ATOM 529 NE2 GLN A 34 14.243 -5.023 -4.239 1.00 0.00 N ATOM 0 H GLN A 34 12.011 -7.509 -8.039 1.00 0.00 H new ATOM 0 HA GLN A 34 10.885 -7.791 -5.329 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.178 -6.348 -5.774 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.957 -5.157 -6.178 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.955 -5.352 -3.936 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.043 -6.662 -3.523 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.397 -5.864 -4.795 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.020 -4.392 -4.043 1.00 0.00 H new ATOM 538 N PRO A 35 9.071 -7.493 -7.148 1.00 0.00 N ATOM 539 CA PRO A 35 7.865 -7.169 -7.883 1.00 0.00 C ATOM 540 C PRO A 35 6.956 -6.284 -7.059 1.00 0.00 C ATOM 541 O PRO A 35 5.965 -5.737 -7.539 1.00 0.00 O ATOM 542 CB PRO A 35 7.247 -8.508 -8.233 1.00 0.00 C ATOM 543 CG PRO A 35 7.980 -9.566 -7.408 1.00 0.00 C ATOM 544 CD PRO A 35 9.159 -8.879 -6.759 1.00 0.00 C ATOM 0 HA PRO A 35 8.059 -6.594 -8.788 1.00 0.00 H new ATOM 0 HB2 PRO A 35 6.181 -8.512 -8.006 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.347 -8.712 -9.299 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.319 -9.993 -6.654 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.313 -10.387 -8.042 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.124 -8.983 -5.675 1.00 0.00 H new ATOM 0 HD3 PRO A 35 10.099 -9.319 -7.091 1.00 0.00 H new ATOM 552 N GLN A 36 7.344 -6.168 -5.796 1.00 0.00 N ATOM 553 CA GLN A 36 6.789 -5.207 -4.866 1.00 0.00 C ATOM 554 C GLN A 36 7.733 -4.029 -4.613 1.00 0.00 C ATOM 555 O GLN A 36 7.900 -3.591 -3.475 1.00 0.00 O ATOM 556 CB GLN A 36 6.353 -5.867 -3.560 1.00 0.00 C ATOM 557 CG GLN A 36 5.436 -7.069 -3.774 1.00 0.00 C ATOM 558 CD GLN A 36 6.177 -8.346 -3.409 1.00 0.00 C ATOM 559 OE1 GLN A 36 6.060 -8.847 -2.293 1.00 0.00 O ATOM 560 NE2 GLN A 36 6.943 -8.878 -4.352 1.00 0.00 N ATOM 0 H GLN A 36 8.070 -6.755 -5.385 1.00 0.00 H new ATOM 0 HA GLN A 36 5.896 -4.799 -5.339 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.237 -6.186 -3.008 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.839 -5.131 -2.942 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.540 -6.969 -3.162 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.110 -7.110 -4.813 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.012 -8.430 -5.266 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.463 -9.735 -4.164 1.00 0.00 H new ATOM 569 N ASN A 37 8.351 -3.518 -5.678 1.00 0.00 N ATOM 570 CA ASN A 37 9.211 -2.346 -5.599 1.00 0.00 C ATOM 571 C ASN A 37 8.964 -1.434 -6.788 1.00 0.00 C ATOM 572 O ASN A 37 8.692 -1.894 -7.893 1.00 0.00 O ATOM 573 CB ASN A 37 10.676 -2.780 -5.517 1.00 0.00 C ATOM 574 CG ASN A 37 11.455 -2.393 -6.760 1.00 0.00 C ATOM 575 OD1 ASN A 37 12.153 -1.387 -6.787 1.00 0.00 O ATOM 576 ND2 ASN A 37 11.321 -3.204 -7.796 1.00 0.00 N ATOM 0 H ASN A 37 8.267 -3.907 -6.617 1.00 0.00 H new ATOM 0 HA ASN A 37 8.976 -1.783 -4.696 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.140 -2.325 -4.642 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.727 -3.860 -5.379 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.811 -3.003 -8.668 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.727 -4.030 -7.723 1.00 0.00 H new ATOM 583 N PRO A 38 9.059 -0.125 -6.545 1.00 0.00 N ATOM 584 CA PRO A 38 8.715 0.902 -7.497 1.00 0.00 C ATOM 585 C PRO A 38 9.862 1.314 -8.407 1.00 0.00 C ATOM 586 O PRO A 38 9.607 1.478 -9.596 1.00 0.00 O ATOM 587 CB PRO A 38 8.286 2.024 -6.579 1.00 0.00 C ATOM 588 CG PRO A 38 9.205 1.927 -5.370 1.00 0.00 C ATOM 589 CD PRO A 38 9.458 0.439 -5.267 1.00 0.00 C ATOM 0 HA PRO A 38 7.958 0.581 -8.212 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.383 2.992 -7.070 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.241 1.917 -6.288 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.129 2.486 -5.517 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.734 2.321 -4.470 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.509 0.235 -5.062 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.883 0.001 -4.451 1.00 0.00 H new ATOM 597 N VAL A 39 11.105 1.492 -7.935 1.00 0.00 N ATOM 598 CA VAL A 39 12.224 1.721 -8.839 1.00 0.00 C ATOM 599 C VAL A 39 12.231 0.750 -10.005 1.00 0.00 C ATOM 600 O VAL A 39 12.645 1.080 -11.112 1.00 0.00 O ATOM 601 CB VAL A 39 13.544 1.649 -8.085 1.00 0.00 C ATOM 602 CG1 VAL A 39 13.454 1.758 -6.571 1.00 0.00 C ATOM 603 CG2 VAL A 39 14.480 0.559 -8.586 1.00 0.00 C ATOM 0 H VAL A 39 11.351 1.481 -6.945 1.00 0.00 H new ATOM 0 HA VAL A 39 12.101 2.722 -9.251 1.00 0.00 H new ATOM 0 HB VAL A 39 14.032 2.586 -8.353 1.00 0.00 H new ATOM 0 HG11 VAL A 39 14.454 1.694 -6.142 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.004 2.713 -6.301 1.00 0.00 H new ATOM 0 HG13 VAL A 39 12.840 0.945 -6.184 1.00 0.00 H new ATOM 0 HG21 VAL A 39 15.399 0.571 -8.000 1.00 0.00 H new ATOM 0 HG22 VAL A 39 13.996 -0.412 -8.483 1.00 0.00 H new ATOM 0 HG23 VAL A 39 14.717 0.737 -9.635 1.00 0.00 H new ATOM 613 N GLY A 40 11.759 -0.456 -9.723 1.00 0.00 N ATOM 614 CA GLY A 40 11.611 -1.492 -10.734 1.00 0.00 C ATOM 615 C GLY A 40 10.833 -0.924 -11.910 1.00 0.00 C ATOM 616 O GLY A 40 11.295 -0.971 -13.047 1.00 0.00 O ATOM 0 H GLY A 40 11.468 -0.743 -8.788 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.590 -1.841 -11.063 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.089 -2.354 -10.317 1.00 0.00 H new ATOM 620 N TYR A 41 9.652 -0.379 -11.631 1.00 0.00 N ATOM 621 CA TYR A 41 8.825 0.258 -12.630 1.00 0.00 C ATOM 622 C TYR A 41 9.417 1.602 -13.041 1.00 0.00 C ATOM 623 O TYR A 41 9.177 2.053 -14.152 1.00 0.00 O ATOM 624 CB TYR A 41 7.464 0.482 -11.986 1.00 0.00 C ATOM 625 CG TYR A 41 6.759 -0.795 -11.615 1.00 0.00 C ATOM 626 CD1 TYR A 41 6.028 -1.502 -12.578 1.00 0.00 C ATOM 627 CD2 TYR A 41 6.850 -1.272 -10.301 1.00 0.00 C ATOM 628 CE1 TYR A 41 5.405 -2.712 -12.234 1.00 0.00 C ATOM 629 CE2 TYR A 41 6.232 -2.482 -9.950 1.00 0.00 C ATOM 630 CZ TYR A 41 5.511 -3.208 -10.920 1.00 0.00 C ATOM 631 OH TYR A 41 4.918 -4.388 -10.585 1.00 0.00 O ATOM 0 H TYR A 41 9.246 -0.371 -10.695 1.00 0.00 H new ATOM 0 HA TYR A 41 8.755 -0.363 -13.523 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.590 1.092 -11.091 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.835 1.049 -12.672 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.944 -1.117 -13.583 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.396 -0.709 -9.558 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.845 -3.262 -12.976 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.308 -2.856 -8.940 1.00 0.00 H new ATOM 0 HH TYR A 41 5.090 -4.584 -9.640 1.00 0.00 H new ATOM 641 N SER A 42 10.186 2.250 -12.162 1.00 0.00 N ATOM 642 CA SER A 42 10.610 3.630 -12.366 1.00 0.00 C ATOM 643 C SER A 42 11.737 3.752 -13.381 1.00 0.00 C ATOM 644 O SER A 42 11.721 4.651 -14.220 1.00 0.00 O ATOM 645 CB SER A 42 11.050 4.240 -11.032 1.00 0.00 C ATOM 646 OG SER A 42 10.060 3.973 -10.076 1.00 0.00 O ATOM 0 H SER A 42 10.528 1.833 -11.296 1.00 0.00 H new ATOM 0 HA SER A 42 9.754 4.174 -12.765 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.004 3.817 -10.718 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.196 5.315 -11.136 1.00 0.00 H new ATOM 0 HG SER A 42 9.804 3.028 -10.125 1.00 0.00 H new ATOM 652 N ASN A 43 12.715 2.850 -13.312 1.00 0.00 N ATOM 653 CA ASN A 43 13.836 2.855 -14.227 1.00 0.00 C ATOM 654 C ASN A 43 13.336 2.391 -15.596 1.00 0.00 C ATOM 655 O ASN A 43 13.617 3.026 -16.612 1.00 0.00 O ATOM 656 CB ASN A 43 14.907 1.917 -13.679 1.00 0.00 C ATOM 657 CG ASN A 43 15.521 2.439 -12.388 1.00 0.00 C ATOM 658 OD1 ASN A 43 14.835 3.003 -11.544 1.00 0.00 O ATOM 659 ND2 ASN A 43 16.828 2.255 -12.231 1.00 0.00 N ATOM 0 H ASN A 43 12.745 2.101 -12.620 1.00 0.00 H new ATOM 0 HA ASN A 43 14.268 3.851 -14.331 1.00 0.00 H new ATOM 0 HB2 ASN A 43 14.470 0.934 -13.501 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.690 1.787 -14.426 1.00 0.00 H new ATOM 0 HD21 ASN A 43 17.292 2.588 -11.386 1.00 0.00 H new ATOM 0 HD22 ASN A 43 17.367 1.781 -12.956 1.00 0.00 H new ATOM 666 N LYS A 44 12.589 1.279 -15.611 1.00 0.00 N ATOM 667 CA LYS A 44 11.961 0.722 -16.806 1.00 0.00 C ATOM 668 C LYS A 44 11.023 1.749 -17.432 1.00 0.00 C ATOM 669 O LYS A 44 10.904 1.798 -18.652 1.00 0.00 O ATOM 670 CB LYS A 44 11.204 -0.536 -16.379 1.00 0.00 C ATOM 671 CG LYS A 44 10.483 -1.208 -17.549 1.00 0.00 C ATOM 672 CD LYS A 44 9.873 -2.530 -17.083 1.00 0.00 C ATOM 673 CE LYS A 44 9.165 -3.217 -18.249 1.00 0.00 C ATOM 674 NZ LYS A 44 8.610 -4.520 -17.835 1.00 0.00 N ATOM 0 H LYS A 44 12.403 0.732 -14.770 1.00 0.00 H new ATOM 0 HA LYS A 44 12.707 0.468 -17.559 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.903 -1.243 -15.932 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.478 -0.276 -15.609 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.703 -0.551 -17.934 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.182 -1.386 -18.366 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.653 -3.180 -16.686 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.166 -2.349 -16.273 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.364 -2.578 -18.621 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.866 -3.361 -19.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.209 -5.005 -18.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.366 -5.104 -17.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.864 -4.370 -17.126 1.00 0.00 H new ATOM 688 N ALA A 45 10.356 2.568 -16.613 1.00 0.00 N ATOM 689 CA ALA A 45 9.387 3.534 -17.120 1.00 0.00 C ATOM 690 C ALA A 45 10.077 4.742 -17.741 1.00 0.00 C ATOM 691 O ALA A 45 9.695 5.155 -18.833 1.00 0.00 O ATOM 692 CB ALA A 45 8.472 4.014 -15.995 1.00 0.00 C ATOM 0 H ALA A 45 10.471 2.579 -15.600 1.00 0.00 H new ATOM 0 HA ALA A 45 8.800 3.029 -17.887 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.756 4.734 -16.391 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.936 3.163 -15.574 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.070 4.488 -15.217 1.00 0.00 H new ATOM 698 N MET A 46 11.082 5.316 -17.070 1.00 0.00 N ATOM 699 CA MET A 46 11.735 6.503 -17.604 1.00 0.00 C ATOM 700 C MET A 46 12.368 6.195 -18.959 1.00 0.00 C ATOM 701 O MET A 46 12.521 7.087 -19.791 1.00 0.00 O ATOM 702 CB MET A 46 12.780 6.996 -16.605 1.00 0.00 C ATOM 703 CG MET A 46 13.387 8.340 -17.020 1.00 0.00 C ATOM 704 SD MET A 46 12.318 9.800 -16.885 1.00 0.00 S ATOM 705 CE MET A 46 11.398 9.755 -18.445 1.00 0.00 C ATOM 0 H MET A 46 11.450 4.984 -16.178 1.00 0.00 H new ATOM 0 HA MET A 46 10.997 7.291 -17.755 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.322 7.094 -15.621 1.00 0.00 H new ATOM 0 HB3 MET A 46 13.573 6.253 -16.515 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.276 8.513 -16.413 1.00 0.00 H new ATOM 0 HG3 MET A 46 13.719 8.257 -18.055 1.00 0.00 H new ATOM 0 HE1 MET A 46 11.155 10.772 -18.754 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.007 9.279 -19.213 1.00 0.00 H new ATOM 0 HE3 MET A 46 10.477 9.188 -18.308 1.00 0.00 H new ATOM 715 N ALA A 47 12.732 4.933 -19.186 1.00 0.00 N ATOM 716 CA ALA A 47 13.282 4.504 -20.455 1.00 0.00 C ATOM 717 C ALA A 47 12.178 4.357 -21.506 1.00 0.00 C ATOM 718 O ALA A 47 12.411 4.666 -22.671 1.00 0.00 O ATOM 719 CB ALA A 47 13.993 3.176 -20.244 1.00 0.00 C ATOM 0 H ALA A 47 12.651 4.188 -18.494 1.00 0.00 H new ATOM 0 HA ALA A 47 13.986 5.252 -20.820 1.00 0.00 H new ATOM 0 HB1 ALA A 47 14.415 2.835 -21.189 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.793 3.303 -19.515 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.281 2.437 -19.877 1.00 0.00 H new ATOM 725 N LEU A 48 10.983 3.892 -21.114 1.00 0.00 N ATOM 726 CA LEU A 48 9.867 3.783 -22.046 1.00 0.00 C ATOM 727 C LEU A 48 9.454 5.162 -22.558 1.00 0.00 C ATOM 728 O LEU A 48 8.875 5.255 -23.633 1.00 0.00 O ATOM 729 CB LEU A 48 8.672 3.101 -21.373 1.00 0.00 C ATOM 730 CG LEU A 48 8.899 1.607 -21.144 1.00 0.00 C ATOM 731 CD1 LEU A 48 7.772 1.064 -20.272 1.00 0.00 C ATOM 732 CD2 LEU A 48 8.937 0.821 -22.450 1.00 0.00 C ATOM 0 H LEU A 48 10.772 3.589 -20.163 1.00 0.00 H new ATOM 0 HA LEU A 48 10.191 3.177 -22.892 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.474 3.585 -20.417 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.785 3.239 -21.991 1.00 0.00 H new ATOM 0 HG LEU A 48 9.867 1.488 -20.657 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.924 -0.002 -20.102 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.768 1.587 -19.315 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.817 1.219 -20.774 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.101 -0.235 -22.235 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.989 0.942 -22.975 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.748 1.194 -23.075 1.00 0.00 H new ATOM 744 N ILE A 49 9.744 6.233 -21.816 1.00 0.00 N ATOM 745 CA ILE A 49 9.490 7.580 -22.307 1.00 0.00 C ATOM 746 C ILE A 49 10.514 7.912 -23.379 1.00 0.00 C ATOM 747 O ILE A 49 10.162 8.383 -24.456 1.00 0.00 O ATOM 748 CB ILE A 49 9.602 8.574 -21.146 1.00 0.00 C ATOM 749 CG1 ILE A 49 8.279 8.693 -20.390 1.00 0.00 C ATOM 750 CG2 ILE A 49 10.002 9.961 -21.649 1.00 0.00 C ATOM 751 CD1 ILE A 49 7.971 7.458 -19.556 1.00 0.00 C ATOM 0 H ILE A 49 10.151 6.190 -20.882 1.00 0.00 H new ATOM 0 HA ILE A 49 8.488 7.643 -22.730 1.00 0.00 H new ATOM 0 HB ILE A 49 10.370 8.192 -20.474 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.313 9.567 -19.740 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.471 8.857 -21.103 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.074 10.647 -20.805 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.967 9.901 -22.152 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.250 10.325 -22.349 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.021 7.595 -19.040 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.908 6.586 -20.207 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.763 7.307 -18.823 1.00 0.00 H new ATOM 763 N LYS A 50 11.792 7.666 -23.079 1.00 0.00 N ATOM 764 CA LYS A 50 12.873 7.858 -24.017 1.00 0.00 C ATOM 765 C LYS A 50 12.786 6.915 -25.221 1.00 0.00 C ATOM 766 O LYS A 50 13.541 7.076 -26.177 1.00 0.00 O ATOM 767 CB LYS A 50 14.172 7.686 -23.243 1.00 0.00 C ATOM 768 CG LYS A 50 14.930 9.007 -23.220 1.00 0.00 C ATOM 769 CD LYS A 50 14.177 10.076 -22.430 1.00 0.00 C ATOM 770 CE LYS A 50 14.218 9.762 -20.938 1.00 0.00 C ATOM 771 NZ LYS A 50 13.877 10.963 -20.149 1.00 0.00 N ATOM 0 H LYS A 50 12.096 7.325 -22.167 1.00 0.00 H new ATOM 0 HA LYS A 50 12.817 8.857 -24.449 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.960 7.359 -22.225 1.00 0.00 H new ATOM 0 HB3 LYS A 50 14.784 6.912 -23.706 1.00 0.00 H new ATOM 0 HG2 LYS A 50 15.915 8.854 -22.778 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.089 9.353 -24.241 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.621 11.054 -22.615 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.142 10.127 -22.769 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.518 8.958 -20.710 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.211 9.408 -20.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 13.909 10.733 -19.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.561 11.719 -20.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 12.920 11.284 -20.401 1.00 0.00 H new ATOM 785 N LEU A 51 11.877 5.933 -25.190 1.00 0.00 N ATOM 786 CA LEU A 51 11.582 5.068 -26.318 1.00 0.00 C ATOM 787 C LEU A 51 10.247 5.501 -26.934 1.00 0.00 C ATOM 788 O LEU A 51 9.965 5.208 -28.095 1.00 0.00 O ATOM 789 CB LEU A 51 11.469 3.629 -25.808 1.00 0.00 C ATOM 790 CG LEU A 51 12.804 3.031 -25.347 1.00 0.00 C ATOM 791 CD1 LEU A 51 12.520 1.716 -24.624 1.00 0.00 C ATOM 792 CD2 LEU A 51 13.731 2.738 -26.522 1.00 0.00 C ATOM 0 H LEU A 51 11.321 5.721 -24.362 1.00 0.00 H new ATOM 0 HA LEU A 51 12.369 5.133 -27.069 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.763 3.602 -24.978 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.055 3.004 -26.599 1.00 0.00 H new ATOM 0 HG LEU A 51 13.293 3.755 -24.695 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.459 1.275 -24.288 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.880 1.905 -23.763 1.00 0.00 H new ATOM 0 HD13 LEU A 51 12.019 1.028 -25.304 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.665 2.316 -26.152 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.252 2.026 -27.194 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.939 3.662 -27.061 1.00 0.00 H new ATOM 804 N GLY A 52 9.433 6.204 -26.140 1.00 0.00 N ATOM 805 CA GLY A 52 8.141 6.760 -26.510 1.00 0.00 C ATOM 806 C GLY A 52 7.024 5.730 -26.398 1.00 0.00 C ATOM 807 O GLY A 52 5.939 5.929 -26.937 1.00 0.00 O ATOM 0 H GLY A 52 9.677 6.408 -25.171 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.915 7.611 -25.868 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.187 7.135 -27.532 1.00 0.00 H new ATOM 811 N GLU A 53 7.296 4.627 -25.694 1.00 0.00 N ATOM 812 CA GLU A 53 6.320 3.602 -25.359 1.00 0.00 C ATOM 813 C GLU A 53 5.623 3.972 -24.074 1.00 0.00 C ATOM 814 O GLU A 53 5.304 3.138 -23.231 1.00 0.00 O ATOM 815 CB GLU A 53 6.998 2.236 -25.266 1.00 0.00 C ATOM 816 CG GLU A 53 8.035 2.045 -26.368 1.00 0.00 C ATOM 817 CD GLU A 53 8.376 0.571 -26.559 1.00 0.00 C ATOM 818 OE1 GLU A 53 7.575 -0.126 -27.220 1.00 0.00 O ATOM 819 OE2 GLU A 53 9.435 0.151 -26.041 1.00 0.00 O ATOM 0 H GLU A 53 8.229 4.423 -25.335 1.00 0.00 H new ATOM 0 HA GLU A 53 5.568 3.537 -26.146 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.478 2.133 -24.293 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.245 1.451 -25.334 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.655 2.457 -27.303 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.939 2.600 -26.119 1.00 0.00 H new ATOM 826 N TYR A 54 5.398 5.271 -23.960 1.00 0.00 N ATOM 827 CA TYR A 54 4.592 5.892 -22.947 1.00 0.00 C ATOM 828 C TYR A 54 3.363 5.070 -22.575 1.00 0.00 C ATOM 829 O TYR A 54 3.045 4.975 -21.397 1.00 0.00 O ATOM 830 CB TYR A 54 4.061 7.142 -23.594 1.00 0.00 C ATOM 831 CG TYR A 54 5.018 8.116 -24.222 1.00 0.00 C ATOM 832 CD1 TYR A 54 6.175 8.516 -23.553 1.00 0.00 C ATOM 833 CD2 TYR A 54 4.730 8.593 -25.506 1.00 0.00 C ATOM 834 CE1 TYR A 54 7.063 9.398 -24.182 1.00 0.00 C ATOM 835 CE2 TYR A 54 5.644 9.431 -26.163 1.00 0.00 C ATOM 836 CZ TYR A 54 6.812 9.848 -25.494 1.00 0.00 C ATOM 837 OH TYR A 54 7.694 10.681 -26.115 1.00 0.00 O ATOM 0 H TYR A 54 5.798 5.947 -24.611 1.00 0.00 H new ATOM 0 HA TYR A 54 5.194 6.034 -22.049 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.355 6.835 -24.365 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.492 7.684 -22.838 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.384 8.149 -22.559 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.805 8.316 -25.991 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.945 9.735 -23.659 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.453 9.754 -27.176 1.00 0.00 H new ATOM 0 HH TYR A 54 7.367 10.892 -27.014 1.00 0.00 H new ATOM 847 N THR A 55 2.659 4.474 -23.549 1.00 0.00 N ATOM 848 CA THR A 55 1.432 3.737 -23.250 1.00 0.00 C ATOM 849 C THR A 55 1.700 2.717 -22.160 1.00 0.00 C ATOM 850 O THR A 55 0.861 2.455 -21.303 1.00 0.00 O ATOM 851 CB THR A 55 0.904 2.999 -24.476 1.00 0.00 C ATOM 852 OG1 THR A 55 0.869 3.856 -25.597 1.00 0.00 O ATOM 853 CG2 THR A 55 -0.504 2.518 -24.143 1.00 0.00 C ATOM 0 H THR A 55 2.917 4.489 -24.536 1.00 0.00 H new ATOM 0 HA THR A 55 0.686 4.464 -22.927 1.00 0.00 H new ATOM 0 HB THR A 55 1.555 2.160 -24.723 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.529 3.365 -26.374 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.918 1.983 -24.998 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.466 1.851 -23.282 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.136 3.375 -23.911 1.00 0.00 H new ATOM 861 N GLN A 56 2.903 2.158 -22.224 1.00 0.00 N ATOM 862 CA GLN A 56 3.403 1.179 -21.276 1.00 0.00 C ATOM 863 C GLN A 56 3.936 1.871 -20.030 1.00 0.00 C ATOM 864 O GLN A 56 3.712 1.415 -18.912 1.00 0.00 O ATOM 865 CB GLN A 56 4.524 0.381 -21.938 1.00 0.00 C ATOM 866 CG GLN A 56 4.096 -0.209 -23.284 1.00 0.00 C ATOM 867 CD GLN A 56 2.868 -1.092 -23.149 1.00 0.00 C ATOM 868 OE1 GLN A 56 2.963 -2.295 -22.924 1.00 0.00 O ATOM 869 NE2 GLN A 56 1.694 -0.485 -23.286 1.00 0.00 N ATOM 0 H GLN A 56 3.574 2.382 -22.959 1.00 0.00 H new ATOM 0 HA GLN A 56 2.591 0.514 -20.982 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.390 1.027 -22.085 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.836 -0.424 -21.273 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.887 0.599 -23.985 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.917 -0.790 -23.703 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.657 0.517 -23.473 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.830 -1.021 -23.205 1.00 0.00 H new ATOM 878 N ALA A 57 4.643 2.981 -20.223 1.00 0.00 N ATOM 879 CA ALA A 57 5.198 3.779 -19.146 1.00 0.00 C ATOM 880 C ALA A 57 4.132 4.301 -18.185 1.00 0.00 C ATOM 881 O ALA A 57 4.350 4.318 -16.977 1.00 0.00 O ATOM 882 CB ALA A 57 5.923 4.961 -19.775 1.00 0.00 C ATOM 0 H ALA A 57 4.847 3.353 -21.150 1.00 0.00 H new ATOM 0 HA ALA A 57 5.869 3.149 -18.562 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.353 5.583 -18.990 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.718 4.596 -20.426 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.218 5.551 -20.360 1.00 0.00 H new ATOM 888 N ILE A 58 2.980 4.727 -18.710 1.00 0.00 N ATOM 889 CA ILE A 58 1.884 5.251 -17.910 1.00 0.00 C ATOM 890 C ILE A 58 1.469 4.176 -16.916 1.00 0.00 C ATOM 891 O ILE A 58 1.182 4.478 -15.761 1.00 0.00 O ATOM 892 CB ILE A 58 0.725 5.611 -18.844 1.00 0.00 C ATOM 893 CG1 ILE A 58 1.141 6.717 -19.818 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.514 6.092 -18.087 1.00 0.00 C ATOM 895 CD1 ILE A 58 0.326 6.608 -21.107 1.00 0.00 C ATOM 0 H ILE A 58 2.786 4.715 -19.711 1.00 0.00 H new ATOM 0 HA ILE A 58 2.181 6.147 -17.364 1.00 0.00 H new ATOM 0 HB ILE A 58 0.475 4.695 -19.380 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.985 7.694 -19.361 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.205 6.636 -20.042 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.304 6.333 -18.798 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.858 5.305 -17.415 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.264 6.980 -17.507 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.627 7.398 -21.796 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.504 5.637 -21.569 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.734 6.712 -20.877 1.00 0.00 H new ATOM 907 N GLN A 59 1.443 2.919 -17.368 1.00 0.00 N ATOM 908 CA GLN A 59 1.095 1.798 -16.518 1.00 0.00 C ATOM 909 C GLN A 59 2.157 1.619 -15.440 1.00 0.00 C ATOM 910 O GLN A 59 1.845 1.459 -14.264 1.00 0.00 O ATOM 911 CB GLN A 59 1.012 0.530 -17.369 1.00 0.00 C ATOM 912 CG GLN A 59 0.558 0.805 -18.801 1.00 0.00 C ATOM 913 CD GLN A 59 0.119 -0.455 -19.529 1.00 0.00 C ATOM 914 OE1 GLN A 59 0.369 -1.572 -19.085 1.00 0.00 O ATOM 915 NE2 GLN A 59 -0.548 -0.285 -20.666 1.00 0.00 N ATOM 0 H GLN A 59 1.663 2.660 -18.330 1.00 0.00 H new ATOM 0 HA GLN A 59 0.132 1.987 -16.043 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.989 0.047 -17.389 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.320 -0.171 -16.902 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.267 1.517 -18.786 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.373 1.273 -19.353 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.740 0.656 -21.009 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.868 -1.096 -21.196 1.00 0.00 H new ATOM 924 N MET A 60 3.421 1.655 -15.858 1.00 0.00 N ATOM 925 CA MET A 60 4.552 1.457 -14.958 1.00 0.00 C ATOM 926 C MET A 60 4.529 2.481 -13.832 1.00 0.00 C ATOM 927 O MET A 60 4.727 2.124 -12.674 1.00 0.00 O ATOM 928 CB MET A 60 5.883 1.582 -15.704 1.00 0.00 C ATOM 929 CG MET A 60 6.123 0.563 -16.820 1.00 0.00 C ATOM 930 SD MET A 60 6.026 -1.182 -16.349 1.00 0.00 S ATOM 931 CE MET A 60 4.266 -1.441 -16.684 1.00 0.00 C ATOM 0 H MET A 60 3.688 1.822 -16.828 1.00 0.00 H new ATOM 0 HA MET A 60 4.463 0.452 -14.546 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.944 2.582 -16.133 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.693 1.496 -14.979 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.395 0.745 -17.611 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.109 0.748 -17.246 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.071 -2.507 -16.802 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.677 -1.054 -15.853 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.989 -0.918 -17.599 1.00 0.00 H new ATOM 941 N CYS A 61 4.288 3.752 -14.153 1.00 0.00 N ATOM 942 CA CYS A 61 4.347 4.798 -13.151 1.00 0.00 C ATOM 943 C CYS A 61 3.270 4.578 -12.082 1.00 0.00 C ATOM 944 O CYS A 61 3.571 4.461 -10.899 1.00 0.00 O ATOM 945 CB CYS A 61 4.203 6.155 -13.833 1.00 0.00 C ATOM 946 SG CYS A 61 5.546 6.372 -15.030 1.00 0.00 S ATOM 0 H CYS A 61 4.053 4.073 -15.092 1.00 0.00 H new ATOM 0 HA CYS A 61 5.311 4.770 -12.643 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.238 6.221 -14.336 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.230 6.952 -13.090 1.00 0.00 H new ATOM 0 HG CYS A 61 5.346 5.595 -16.053 1.00 0.00 H new ATOM 952 N GLN A 62 1.993 4.512 -12.459 1.00 0.00 N ATOM 953 CA GLN A 62 0.946 4.250 -11.479 1.00 0.00 C ATOM 954 C GLN A 62 1.077 2.887 -10.783 1.00 0.00 C ATOM 955 O GLN A 62 0.577 2.734 -9.672 1.00 0.00 O ATOM 956 CB GLN A 62 -0.437 4.436 -12.092 1.00 0.00 C ATOM 957 CG GLN A 62 -0.578 3.768 -13.456 1.00 0.00 C ATOM 958 CD GLN A 62 -1.885 3.007 -13.557 1.00 0.00 C ATOM 959 OE1 GLN A 62 -2.840 3.461 -14.180 1.00 0.00 O ATOM 960 NE2 GLN A 62 -1.928 1.836 -12.934 1.00 0.00 N ATOM 0 H GLN A 62 1.665 4.634 -13.417 1.00 0.00 H new ATOM 0 HA GLN A 62 1.078 4.992 -10.692 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.187 4.028 -11.414 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.644 5.501 -12.192 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.531 4.523 -14.241 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.257 3.087 -13.619 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.110 1.497 -12.428 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.779 1.275 -12.961 1.00 0.00 H new ATOM 969 N GLN A 63 1.732 1.890 -11.386 1.00 0.00 N ATOM 970 CA GLN A 63 2.074 0.664 -10.678 1.00 0.00 C ATOM 971 C GLN A 63 3.101 0.962 -9.593 1.00 0.00 C ATOM 972 O GLN A 63 2.953 0.459 -8.486 1.00 0.00 O ATOM 973 CB GLN A 63 2.682 -0.349 -11.653 1.00 0.00 C ATOM 974 CG GLN A 63 1.712 -1.470 -12.030 1.00 0.00 C ATOM 975 CD GLN A 63 0.554 -1.041 -12.910 1.00 0.00 C ATOM 976 OE1 GLN A 63 0.656 -1.022 -14.134 1.00 0.00 O ATOM 977 NE2 GLN A 63 -0.575 -0.689 -12.302 1.00 0.00 N ATOM 0 H GLN A 63 2.033 1.913 -12.360 1.00 0.00 H new ATOM 0 HA GLN A 63 1.167 0.256 -10.233 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.998 0.170 -12.558 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.576 -0.784 -11.206 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.268 -2.255 -12.543 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.312 -1.908 -11.115 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.635 -0.713 -11.284 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.381 -0.395 -12.854 1.00 0.00 H new ATOM 986 N GLY A 64 4.128 1.764 -9.870 1.00 0.00 N ATOM 987 CA GLY A 64 5.090 2.125 -8.845 1.00 0.00 C ATOM 988 C GLY A 64 4.417 2.626 -7.565 1.00 0.00 C ATOM 989 O GLY A 64 4.903 2.358 -6.469 1.00 0.00 O ATOM 0 H GLY A 64 4.310 2.170 -10.788 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.710 1.260 -8.612 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.754 2.899 -9.230 1.00 0.00 H new ATOM 993 N LEU A 65 3.295 3.347 -7.686 1.00 0.00 N ATOM 994 CA LEU A 65 2.573 3.905 -6.542 1.00 0.00 C ATOM 995 C LEU A 65 1.997 2.827 -5.621 1.00 0.00 C ATOM 996 O LEU A 65 1.490 3.148 -4.547 1.00 0.00 O ATOM 997 CB LEU A 65 1.428 4.785 -7.049 1.00 0.00 C ATOM 998 CG LEU A 65 1.943 6.068 -7.697 1.00 0.00 C ATOM 999 CD1 LEU A 65 0.795 6.734 -8.442 1.00 0.00 C ATOM 1000 CD2 LEU A 65 2.455 7.022 -6.618 1.00 0.00 C ATOM 0 H LEU A 65 2.863 3.559 -8.585 1.00 0.00 H new ATOM 0 HA LEU A 65 3.290 4.485 -5.961 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.833 4.226 -7.771 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.768 5.037 -6.219 1.00 0.00 H new ATOM 0 HG LEU A 65 2.755 5.830 -8.385 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.149 7.652 -8.910 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.418 6.058 -9.209 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.006 6.969 -7.741 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.822 7.936 -7.085 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.643 7.265 -5.932 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.266 6.546 -6.066 1.00 0.00 H new ATOM 1012 N ARG A 66 2.063 1.556 -6.025 1.00 0.00 N ATOM 1013 CA ARG A 66 1.532 0.438 -5.268 1.00 0.00 C ATOM 1014 C ARG A 66 2.573 -0.007 -4.253 1.00 0.00 C ATOM 1015 O ARG A 66 2.272 -0.705 -3.285 1.00 0.00 O ATOM 1016 CB ARG A 66 1.311 -0.674 -6.284 1.00 0.00 C ATOM 1017 CG ARG A 66 0.238 -0.261 -7.282 1.00 0.00 C ATOM 1018 CD ARG A 66 0.068 -1.375 -8.308 1.00 0.00 C ATOM 1019 NE ARG A 66 -0.450 -2.612 -7.702 1.00 0.00 N ATOM 1020 CZ ARG A 66 -1.733 -2.832 -7.393 1.00 0.00 C ATOM 1021 NH1 ARG A 66 -2.666 -1.912 -7.629 1.00 0.00 N ATOM 1022 NH2 ARG A 66 -2.091 -3.988 -6.838 1.00 0.00 N ATOM 0 H ARG A 66 2.497 1.278 -6.905 1.00 0.00 H new ATOM 0 HA ARG A 66 0.614 0.694 -4.739 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.242 -0.890 -6.807 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.012 -1.590 -5.774 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.705 -0.075 -6.767 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.520 0.668 -7.777 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.612 -1.044 -9.093 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.027 -1.579 -8.783 1.00 0.00 H new ATOM 0 HE ARG A 66 0.218 -3.356 -7.503 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.408 -1.021 -8.053 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.639 -2.098 -7.386 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.388 -4.703 -6.650 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.068 -4.159 -6.601 1.00 0.00 H new ATOM 1036 N TYR A 67 3.805 0.420 -4.512 1.00 0.00 N ATOM 1037 CA TYR A 67 4.997 0.011 -3.805 1.00 0.00 C ATOM 1038 C TYR A 67 5.730 1.138 -3.072 1.00 0.00 C ATOM 1039 O TYR A 67 6.674 0.864 -2.337 1.00 0.00 O ATOM 1040 CB TYR A 67 5.871 -0.592 -4.892 1.00 0.00 C ATOM 1041 CG TYR A 67 5.092 -1.611 -5.682 1.00 0.00 C ATOM 1042 CD1 TYR A 67 4.656 -2.800 -5.086 1.00 0.00 C ATOM 1043 CD2 TYR A 67 4.759 -1.336 -7.010 1.00 0.00 C ATOM 1044 CE1 TYR A 67 3.908 -3.726 -5.826 1.00 0.00 C ATOM 1045 CE2 TYR A 67 3.977 -2.232 -7.747 1.00 0.00 C ATOM 1046 CZ TYR A 67 3.556 -3.441 -7.159 1.00 0.00 C ATOM 1047 OH TYR A 67 2.804 -4.326 -7.874 1.00 0.00 O ATOM 0 H TYR A 67 4.000 1.091 -5.255 1.00 0.00 H new ATOM 0 HA TYR A 67 4.743 -0.679 -3.000 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.233 0.194 -5.555 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.748 -1.061 -4.445 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.897 -3.004 -4.053 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.108 -0.424 -7.472 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.602 -4.658 -5.374 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.697 -1.998 -8.763 1.00 0.00 H new ATOM 0 HH TYR A 67 2.652 -3.973 -8.775 1.00 0.00 H new ATOM 1057 N THR A 68 5.310 2.392 -3.251 1.00 0.00 N ATOM 1058 CA THR A 68 5.931 3.527 -2.574 1.00 0.00 C ATOM 1059 C THR A 68 5.346 3.744 -1.179 1.00 0.00 C ATOM 1060 O THR A 68 5.414 4.846 -0.636 1.00 0.00 O ATOM 1061 CB THR A 68 5.790 4.792 -3.421 1.00 0.00 C ATOM 1062 OG1 THR A 68 4.443 4.990 -3.797 1.00 0.00 O ATOM 1063 CG2 THR A 68 6.658 4.679 -4.673 1.00 0.00 C ATOM 0 H THR A 68 4.536 2.646 -3.865 1.00 0.00 H new ATOM 0 HA THR A 68 6.990 3.301 -2.451 1.00 0.00 H new ATOM 0 HB THR A 68 6.118 5.644 -2.826 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.370 5.805 -4.337 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.553 5.584 -5.272 1.00 0.00 H new ATOM 0 HG22 THR A 68 7.701 4.556 -4.382 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.340 3.817 -5.259 1.00 0.00 H new ATOM 1071 N SER A 69 4.765 2.694 -0.594 1.00 0.00 N ATOM 1072 CA SER A 69 4.137 2.715 0.724 1.00 0.00 C ATOM 1073 C SER A 69 5.111 3.001 1.872 1.00 0.00 C ATOM 1074 O SER A 69 4.716 2.954 3.036 1.00 0.00 O ATOM 1075 CB SER A 69 3.477 1.368 0.975 1.00 0.00 C ATOM 1076 OG SER A 69 2.438 1.156 0.042 1.00 0.00 O ATOM 0 H SER A 69 4.719 1.778 -1.041 1.00 0.00 H new ATOM 0 HA SER A 69 3.414 3.531 0.711 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.217 0.571 0.895 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.079 1.333 1.989 1.00 0.00 H new ATOM 0 HG SER A 69 2.020 0.286 0.210 1.00 0.00 H new ATOM 1082 N THR A 70 6.375 3.290 1.565 1.00 0.00 N ATOM 1083 CA THR A 70 7.412 3.532 2.562 1.00 0.00 C ATOM 1084 C THR A 70 8.298 4.715 2.160 1.00 0.00 C ATOM 1085 O THR A 70 8.396 5.058 0.982 1.00 0.00 O ATOM 1086 CB THR A 70 8.231 2.253 2.752 1.00 0.00 C ATOM 1087 OG1 THR A 70 9.320 2.504 3.611 1.00 0.00 O ATOM 1088 CG2 THR A 70 8.755 1.732 1.410 1.00 0.00 C ATOM 0 H THR A 70 6.710 3.363 0.604 1.00 0.00 H new ATOM 0 HA THR A 70 6.947 3.797 3.511 1.00 0.00 H new ATOM 0 HB THR A 70 7.580 1.497 3.191 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.839 1.681 3.730 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.333 0.823 1.574 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.915 1.514 0.751 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.390 2.488 0.949 1.00 0.00 H new ATOM 1096 N ALA A 71 8.941 5.338 3.151 1.00 0.00 N ATOM 1097 CA ALA A 71 9.718 6.556 2.962 1.00 0.00 C ATOM 1098 C ALA A 71 11.069 6.316 2.281 1.00 0.00 C ATOM 1099 O ALA A 71 11.758 7.278 1.952 1.00 0.00 O ATOM 1100 CB ALA A 71 9.915 7.238 4.310 1.00 0.00 C ATOM 0 H ALA A 71 8.934 5.004 4.115 1.00 0.00 H new ATOM 0 HA ALA A 71 9.153 7.200 2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.496 8.150 4.175 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.944 7.486 4.737 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.447 6.566 4.984 1.00 0.00 H new ATOM 1106 N GLU A 72 11.474 5.061 2.057 1.00 0.00 N ATOM 1107 CA GLU A 72 12.643 4.789 1.235 1.00 0.00 C ATOM 1108 C GLU A 72 12.289 4.924 -0.239 1.00 0.00 C ATOM 1109 O GLU A 72 13.176 4.972 -1.088 1.00 0.00 O ATOM 1110 CB GLU A 72 13.154 3.373 1.505 1.00 0.00 C ATOM 1111 CG GLU A 72 12.073 2.324 1.272 1.00 0.00 C ATOM 1112 CD GLU A 72 12.558 0.936 1.678 1.00 0.00 C ATOM 1113 OE1 GLU A 72 13.295 0.320 0.876 1.00 0.00 O ATOM 1114 OE2 GLU A 72 12.194 0.496 2.791 1.00 0.00 O ATOM 0 H GLU A 72 11.012 4.232 2.431 1.00 0.00 H new ATOM 0 HA GLU A 72 13.421 5.510 1.487 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.007 3.165 0.858 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.510 3.305 2.533 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.182 2.583 1.844 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.787 2.319 0.220 1.00 0.00 H new ATOM 1121 N HIS A 73 10.990 4.984 -0.539 1.00 0.00 N ATOM 1122 CA HIS A 73 10.486 4.994 -1.901 1.00 0.00 C ATOM 1123 C HIS A 73 9.727 6.285 -2.204 1.00 0.00 C ATOM 1124 O HIS A 73 9.169 6.429 -3.291 1.00 0.00 O ATOM 1125 CB HIS A 73 9.595 3.772 -2.120 1.00 0.00 C ATOM 1126 CG HIS A 73 10.336 2.463 -2.169 1.00 0.00 C ATOM 1127 ND1 HIS A 73 9.732 1.206 -2.208 1.00 0.00 N ATOM 1128 CD2 HIS A 73 11.689 2.309 -2.194 1.00 0.00 C ATOM 1129 CE1 HIS A 73 10.745 0.328 -2.277 1.00 0.00 C ATOM 1130 NE2 HIS A 73 11.931 0.961 -2.268 1.00 0.00 N ATOM 0 H HIS A 73 10.257 5.027 0.168 1.00 0.00 H new ATOM 0 HA HIS A 73 11.331 4.950 -2.588 1.00 0.00 H new ATOM 0 HB2 HIS A 73 8.857 3.728 -1.319 1.00 0.00 H new ATOM 0 HB3 HIS A 73 9.046 3.900 -3.053 1.00 0.00 H new ATOM 0 HD1 HIS A 73 8.734 0.998 -2.188 1.00 0.00 H new ATOM 0 HD2 HIS A 73 12.428 3.096 -2.162 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.624 -0.744 -2.332 1.00 0.00 H new ATOM 1138 N VAL A 74 9.696 7.229 -1.260 1.00 0.00 N ATOM 1139 CA VAL A 74 9.079 8.527 -1.488 1.00 0.00 C ATOM 1140 C VAL A 74 9.733 9.229 -2.675 1.00 0.00 C ATOM 1141 O VAL A 74 9.098 10.015 -3.375 1.00 0.00 O ATOM 1142 CB VAL A 74 9.227 9.370 -0.222 1.00 0.00 C ATOM 1143 CG1 VAL A 74 10.689 9.624 0.126 1.00 0.00 C ATOM 1144 CG2 VAL A 74 8.558 10.720 -0.426 1.00 0.00 C ATOM 0 H VAL A 74 10.094 7.112 -0.328 1.00 0.00 H new ATOM 0 HA VAL A 74 8.022 8.394 -1.719 1.00 0.00 H new ATOM 0 HB VAL A 74 8.760 8.814 0.590 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.748 10.227 1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 74 11.195 8.672 0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 74 11.171 10.155 -0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.665 11.319 0.478 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.029 11.237 -1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.500 10.573 -0.641 1.00 0.00 H new ATOM 1154 N ALA A 75 11.012 8.923 -2.891 1.00 0.00 N ATOM 1155 CA ALA A 75 11.798 9.439 -3.998 1.00 0.00 C ATOM 1156 C ALA A 75 11.131 9.126 -5.323 1.00 0.00 C ATOM 1157 O ALA A 75 11.079 9.943 -6.239 1.00 0.00 O ATOM 1158 CB ALA A 75 13.136 8.708 -3.981 1.00 0.00 C ATOM 0 H ALA A 75 11.537 8.294 -2.284 1.00 0.00 H new ATOM 0 HA ALA A 75 11.905 10.519 -3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 75 13.758 9.068 -4.800 1.00 0.00 H new ATOM 0 HB2 ALA A 75 13.641 8.895 -3.033 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.967 7.637 -4.097 1.00 0.00 H new ATOM 1164 N ILE A 76 10.620 7.903 -5.396 1.00 0.00 N ATOM 1165 CA ILE A 76 10.046 7.322 -6.585 1.00 0.00 C ATOM 1166 C ILE A 76 8.599 7.754 -6.732 1.00 0.00 C ATOM 1167 O ILE A 76 8.096 7.913 -7.841 1.00 0.00 O ATOM 1168 CB ILE A 76 10.135 5.820 -6.398 1.00 0.00 C ATOM 1169 CG1 ILE A 76 11.603 5.428 -6.341 1.00 0.00 C ATOM 1170 CG2 ILE A 76 9.424 5.113 -7.530 1.00 0.00 C ATOM 1171 CD1 ILE A 76 12.193 5.106 -7.704 1.00 0.00 C ATOM 0 H ILE A 76 10.597 7.272 -4.595 1.00 0.00 H new ATOM 0 HA ILE A 76 10.572 7.643 -7.485 1.00 0.00 H new ATOM 0 HB ILE A 76 9.649 5.524 -5.468 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.172 6.241 -5.890 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.715 4.561 -5.690 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.494 4.035 -7.386 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.375 5.410 -7.543 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.890 5.384 -8.478 1.00 0.00 H new ATOM 0 HD11 ILE A 76 13.243 4.834 -7.591 1.00 0.00 H new ATOM 0 HD12 ILE A 76 11.648 4.273 -8.149 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.112 5.979 -8.351 1.00 0.00 H new ATOM 1183 N ARG A 77 7.937 7.945 -5.594 1.00 0.00 N ATOM 1184 CA ARG A 77 6.570 8.451 -5.553 1.00 0.00 C ATOM 1185 C ARG A 77 6.498 9.840 -6.187 1.00 0.00 C ATOM 1186 O ARG A 77 5.419 10.324 -6.520 1.00 0.00 O ATOM 1187 CB ARG A 77 6.085 8.461 -4.103 1.00 0.00 C ATOM 1188 CG ARG A 77 4.613 8.865 -4.003 1.00 0.00 C ATOM 1189 CD ARG A 77 4.504 10.308 -3.503 1.00 0.00 C ATOM 1190 NE ARG A 77 3.105 10.689 -3.273 1.00 0.00 N ATOM 1191 CZ ARG A 77 2.248 11.040 -4.238 1.00 0.00 C ATOM 1192 NH1 ARG A 77 2.631 11.063 -5.512 1.00 0.00 N ATOM 1193 NH2 ARG A 77 1.000 11.366 -3.927 1.00 0.00 N ATOM 0 H ARG A 77 8.334 7.753 -4.674 1.00 0.00 H new ATOM 0 HA ARG A 77 5.914 7.801 -6.132 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.222 7.472 -3.667 1.00 0.00 H new ATOM 0 HB3 ARG A 77 6.693 9.153 -3.520 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.134 8.771 -4.977 1.00 0.00 H new ATOM 0 HG3 ARG A 77 4.088 8.194 -3.323 1.00 0.00 H new ATOM 0 HD2 ARG A 77 5.070 10.418 -2.578 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.952 10.983 -4.233 1.00 0.00 H new ATOM 0 HE ARG A 77 2.763 10.686 -2.312 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.587 10.811 -5.762 1.00 0.00 H new ATOM 0 HH12 ARG A 77 1.968 11.332 -6.239 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.696 11.349 -2.954 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.345 11.634 -4.661 1.00 0.00 H new ATOM 1207 N SER A 78 7.659 10.472 -6.354 1.00 0.00 N ATOM 1208 CA SER A 78 7.797 11.772 -6.984 1.00 0.00 C ATOM 1209 C SER A 78 8.080 11.625 -8.479 1.00 0.00 C ATOM 1210 O SER A 78 7.932 12.580 -9.237 1.00 0.00 O ATOM 1211 CB SER A 78 8.983 12.459 -6.306 1.00 0.00 C ATOM 1212 OG SER A 78 9.043 13.822 -6.668 1.00 0.00 O ATOM 0 H SER A 78 8.548 10.079 -6.045 1.00 0.00 H new ATOM 0 HA SER A 78 6.878 12.348 -6.877 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.892 12.369 -5.224 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.910 11.961 -6.591 1.00 0.00 H new ATOM 0 HG SER A 78 8.770 13.924 -7.604 1.00 0.00 H new ATOM 1218 N LYS A 79 8.488 10.424 -8.911 1.00 0.00 N ATOM 1219 CA LYS A 79 8.841 10.171 -10.299 1.00 0.00 C ATOM 1220 C LYS A 79 7.692 9.489 -11.029 1.00 0.00 C ATOM 1221 O LYS A 79 7.476 9.734 -12.209 1.00 0.00 O ATOM 1222 CB LYS A 79 10.101 9.301 -10.325 1.00 0.00 C ATOM 1223 CG LYS A 79 11.246 10.014 -9.606 1.00 0.00 C ATOM 1224 CD LYS A 79 12.482 9.124 -9.506 1.00 0.00 C ATOM 1225 CE LYS A 79 13.592 9.959 -8.873 1.00 0.00 C ATOM 1226 NZ LYS A 79 14.842 9.195 -8.734 1.00 0.00 N ATOM 0 H LYS A 79 8.580 9.609 -8.305 1.00 0.00 H new ATOM 0 HA LYS A 79 9.036 11.113 -10.811 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.901 8.343 -9.846 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.385 9.089 -11.356 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.498 10.930 -10.140 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.924 10.306 -8.606 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.272 8.242 -8.901 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.782 8.770 -10.492 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.773 10.844 -9.483 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.269 10.308 -7.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.560 9.786 -8.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.668 8.346 -8.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.182 8.912 -9.675 1.00 0.00 H new ATOM 1240 N LEU A 80 6.947 8.634 -10.332 1.00 0.00 N ATOM 1241 CA LEU A 80 5.782 7.946 -10.874 1.00 0.00 C ATOM 1242 C LEU A 80 4.667 8.925 -11.230 1.00 0.00 C ATOM 1243 O LEU A 80 3.635 8.531 -11.753 1.00 0.00 O ATOM 1244 CB LEU A 80 5.270 6.990 -9.806 1.00 0.00 C ATOM 1245 CG LEU A 80 6.067 5.688 -9.665 1.00 0.00 C ATOM 1246 CD1 LEU A 80 7.470 5.685 -10.252 1.00 0.00 C ATOM 1247 CD2 LEU A 80 6.060 5.303 -8.189 1.00 0.00 C ATOM 0 H LEU A 80 7.141 8.397 -9.359 1.00 0.00 H new ATOM 0 HA LEU A 80 6.072 7.420 -11.784 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.274 7.506 -8.846 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.233 6.741 -10.030 1.00 0.00 H new ATOM 0 HG LEU A 80 5.567 4.940 -10.280 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.930 4.710 -10.089 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.417 5.887 -11.322 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.069 6.455 -9.766 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.620 4.378 -8.052 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.523 6.098 -7.604 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.032 5.158 -7.856 1.00 0.00 H new ATOM 1259 N GLN A 81 4.875 10.204 -10.942 1.00 0.00 N ATOM 1260 CA GLN A 81 3.977 11.302 -11.211 1.00 0.00 C ATOM 1261 C GLN A 81 4.459 12.225 -12.324 1.00 0.00 C ATOM 1262 O GLN A 81 3.669 13.005 -12.852 1.00 0.00 O ATOM 1263 CB GLN A 81 4.006 12.059 -9.891 1.00 0.00 C ATOM 1264 CG GLN A 81 2.904 11.637 -8.956 1.00 0.00 C ATOM 1265 CD GLN A 81 2.678 10.142 -8.965 1.00 0.00 C ATOM 1266 OE1 GLN A 81 1.648 9.675 -9.438 1.00 0.00 O ATOM 1267 NE2 GLN A 81 3.641 9.391 -8.445 1.00 0.00 N ATOM 0 H GLN A 81 5.733 10.513 -10.485 1.00 0.00 H new ATOM 0 HA GLN A 81 2.999 10.952 -11.541 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.969 11.900 -9.406 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.921 13.128 -10.088 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.148 11.958 -7.943 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.980 12.143 -9.237 1.00 0.00 H new ATOM 0 HE21 GLN A 81 4.480 9.829 -8.064 1.00 0.00 H new ATOM 0 HE22 GLN A 81 3.542 8.376 -8.427 1.00 0.00 H new ATOM 1276 N TYR A 82 5.740 12.144 -12.688 1.00 0.00 N ATOM 1277 CA TYR A 82 6.316 13.020 -13.702 1.00 0.00 C ATOM 1278 C TYR A 82 6.327 12.390 -15.088 1.00 0.00 C ATOM 1279 O TYR A 82 6.061 13.078 -16.073 1.00 0.00 O ATOM 1280 CB TYR A 82 7.744 13.349 -13.296 1.00 0.00 C ATOM 1281 CG TYR A 82 8.652 13.665 -14.458 1.00 0.00 C ATOM 1282 CD1 TYR A 82 9.357 12.618 -15.067 1.00 0.00 C ATOM 1283 CD2 TYR A 82 8.798 14.979 -14.924 1.00 0.00 C ATOM 1284 CE1 TYR A 82 10.271 12.881 -16.095 1.00 0.00 C ATOM 1285 CE2 TYR A 82 9.687 15.250 -15.975 1.00 0.00 C ATOM 1286 CZ TYR A 82 10.434 14.203 -16.559 1.00 0.00 C ATOM 1287 OH TYR A 82 11.316 14.466 -17.565 1.00 0.00 O ATOM 0 H TYR A 82 6.400 11.475 -12.291 1.00 0.00 H new ATOM 0 HA TYR A 82 5.697 13.915 -13.760 1.00 0.00 H new ATOM 0 HB2 TYR A 82 7.731 14.201 -12.616 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.158 12.506 -12.743 1.00 0.00 H new ATOM 0 HD1 TYR A 82 9.194 11.601 -14.741 1.00 0.00 H new ATOM 0 HD2 TYR A 82 8.228 15.780 -14.476 1.00 0.00 H new ATOM 0 HE1 TYR A 82 10.847 12.077 -16.529 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.800 16.261 -16.338 1.00 0.00 H new ATOM 0 HH TYR A 82 11.307 15.425 -17.766 1.00 0.00 H new ATOM 1297 N ARG A 83 6.628 11.095 -15.208 1.00 0.00 N ATOM 1298 CA ARG A 83 6.560 10.488 -16.532 1.00 0.00 C ATOM 1299 C ARG A 83 5.114 10.114 -16.798 1.00 0.00 C ATOM 1300 O ARG A 83 4.693 9.960 -17.940 1.00 0.00 O ATOM 1301 CB ARG A 83 7.429 9.247 -16.681 1.00 0.00 C ATOM 1302 CG ARG A 83 8.850 9.292 -16.141 1.00 0.00 C ATOM 1303 CD ARG A 83 8.870 9.006 -14.641 1.00 0.00 C ATOM 1304 NE ARG A 83 10.252 8.751 -14.218 1.00 0.00 N ATOM 1305 CZ ARG A 83 10.630 7.783 -13.383 1.00 0.00 C ATOM 1306 NH1 ARG A 83 9.733 6.961 -12.849 1.00 0.00 N ATOM 1307 NH2 ARG A 83 11.916 7.647 -13.082 1.00 0.00 N ATOM 0 H ARG A 83 6.907 10.476 -14.446 1.00 0.00 H new ATOM 0 HA ARG A 83 6.939 11.217 -17.249 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.914 8.420 -16.192 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.484 9.006 -17.742 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.466 8.560 -16.664 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.287 10.272 -16.335 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.459 9.853 -14.091 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.242 8.144 -14.414 1.00 0.00 H new ATOM 0 HE ARG A 83 10.979 9.361 -14.592 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.744 7.067 -13.077 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.033 6.224 -12.211 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.605 8.280 -13.489 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.215 6.909 -12.444 1.00 0.00 H new ATOM 1321 N LEU A 84 4.362 9.978 -15.708 1.00 0.00 N ATOM 1322 CA LEU A 84 2.952 9.687 -15.733 1.00 0.00 C ATOM 1323 C LEU A 84 2.174 10.893 -16.241 1.00 0.00 C ATOM 1324 O LEU A 84 1.006 10.777 -16.599 1.00 0.00 O ATOM 1325 CB LEU A 84 2.555 9.352 -14.302 1.00 0.00 C ATOM 1326 CG LEU A 84 1.063 9.076 -14.111 1.00 0.00 C ATOM 1327 CD1 LEU A 84 0.598 7.966 -15.057 1.00 0.00 C ATOM 1328 CD2 LEU A 84 0.838 8.700 -12.650 1.00 0.00 C ATOM 0 H LEU A 84 4.737 10.072 -14.764 1.00 0.00 H new ATOM 0 HA LEU A 84 2.729 8.856 -16.402 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.119 8.478 -13.976 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.846 10.179 -13.654 1.00 0.00 H new ATOM 0 HG LEU A 84 0.476 9.962 -14.352 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.466 7.783 -14.908 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.772 8.271 -16.089 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.156 7.053 -14.849 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.220 8.497 -12.485 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.420 7.810 -12.410 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.154 9.524 -12.010 1.00 0.00 H new ATOM 1340 N GLU A 85 2.828 12.056 -16.276 1.00 0.00 N ATOM 1341 CA GLU A 85 2.196 13.273 -16.752 1.00 0.00 C ATOM 1342 C GLU A 85 2.734 13.702 -18.108 1.00 0.00 C ATOM 1343 O GLU A 85 2.221 14.652 -18.702 1.00 0.00 O ATOM 1344 CB GLU A 85 2.322 14.368 -15.696 1.00 0.00 C ATOM 1345 CG GLU A 85 3.582 15.217 -15.821 1.00 0.00 C ATOM 1346 CD GLU A 85 3.555 16.389 -14.843 1.00 0.00 C ATOM 1347 OE1 GLU A 85 2.740 17.315 -15.069 1.00 0.00 O ATOM 1348 OE2 GLU A 85 4.346 16.360 -13.873 1.00 0.00 O ATOM 0 H GLU A 85 3.797 12.173 -15.978 1.00 0.00 H new ATOM 0 HA GLU A 85 1.135 13.077 -16.908 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.451 15.020 -15.759 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.304 13.908 -14.708 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.460 14.600 -15.630 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.672 15.592 -16.840 1.00 0.00 H new ATOM 1355 N LEU A 86 3.763 13.007 -18.606 1.00 0.00 N ATOM 1356 CA LEU A 86 4.339 13.329 -19.897 1.00 0.00 C ATOM 1357 C LEU A 86 4.025 12.243 -20.932 1.00 0.00 C ATOM 1358 O LEU A 86 3.728 12.561 -22.081 1.00 0.00 O ATOM 1359 CB LEU A 86 5.849 13.564 -19.722 1.00 0.00 C ATOM 1360 CG LEU A 86 6.695 12.286 -19.804 1.00 0.00 C ATOM 1361 CD1 LEU A 86 7.051 12.007 -21.271 1.00 0.00 C ATOM 1362 CD2 LEU A 86 7.979 12.402 -18.978 1.00 0.00 C ATOM 0 H LEU A 86 4.206 12.222 -18.129 1.00 0.00 H new ATOM 0 HA LEU A 86 3.892 14.245 -20.284 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.189 14.262 -20.488 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.022 14.041 -18.757 1.00 0.00 H new ATOM 0 HG LEU A 86 6.108 11.464 -19.394 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.652 11.100 -21.333 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.136 11.877 -21.849 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.618 12.846 -21.674 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.550 11.477 -19.062 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.577 13.233 -19.351 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.725 12.578 -17.933 1.00 0.00 H new ATOM 1374 N ALA A 87 4.090 10.972 -20.527 1.00 0.00 N ATOM 1375 CA ALA A 87 3.862 9.822 -21.362 1.00 0.00 C ATOM 1376 C ALA A 87 2.458 9.886 -21.950 1.00 0.00 C ATOM 1377 O ALA A 87 2.307 9.995 -23.160 1.00 0.00 O ATOM 1378 CB ALA A 87 4.040 8.589 -20.470 1.00 0.00 C ATOM 0 H ALA A 87 4.314 10.721 -19.564 1.00 0.00 H new ATOM 0 HA ALA A 87 4.559 9.783 -22.199 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.877 7.687 -21.059 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.051 8.578 -20.062 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.319 8.624 -19.653 1.00 0.00 H new ATOM 1384 N GLN A 88 1.422 9.827 -21.106 1.00 0.00 N ATOM 1385 CA GLN A 88 0.049 9.881 -21.582 1.00 0.00 C ATOM 1386 C GLN A 88 -0.272 11.187 -22.300 1.00 0.00 C ATOM 1387 O GLN A 88 -1.241 11.261 -23.055 1.00 0.00 O ATOM 1388 CB GLN A 88 -0.950 9.664 -20.458 1.00 0.00 C ATOM 1389 CG GLN A 88 -0.802 10.607 -19.270 1.00 0.00 C ATOM 1390 CD GLN A 88 -1.868 10.275 -18.232 1.00 0.00 C ATOM 1391 OE1 GLN A 88 -3.061 10.421 -18.485 1.00 0.00 O ATOM 1392 NE2 GLN A 88 -1.447 9.821 -17.056 1.00 0.00 N ATOM 0 H GLN A 88 1.515 9.742 -20.094 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.043 9.066 -22.300 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.957 9.769 -20.862 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.855 8.638 -20.102 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.192 10.508 -18.833 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.905 11.642 -19.597 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.448 9.712 -16.879 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.123 9.582 -16.330 1.00 0.00 H new ATOM 1401 N GLY A 89 0.544 12.213 -22.063 1.00 0.00 N ATOM 1402 CA GLY A 89 0.404 13.499 -22.719 1.00 0.00 C ATOM 1403 C GLY A 89 1.115 13.485 -24.072 1.00 0.00 C ATOM 1404 O GLY A 89 1.209 14.511 -24.742 1.00 0.00 O ATOM 0 H GLY A 89 1.323 12.169 -21.406 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.652 13.731 -22.858 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.822 14.284 -22.089 1.00 0.00 H new ATOM 1408 N ALA A 90 1.612 12.306 -24.463 1.00 0.00 N ATOM 1409 CA ALA A 90 2.268 12.055 -25.732 1.00 0.00 C ATOM 1410 C ALA A 90 1.703 10.783 -26.379 1.00 0.00 C ATOM 1411 O ALA A 90 2.168 10.369 -27.441 1.00 0.00 O ATOM 1412 CB ALA A 90 3.769 11.917 -25.492 1.00 0.00 C ATOM 0 H ALA A 90 1.562 11.474 -23.875 1.00 0.00 H new ATOM 0 HA ALA A 90 2.086 12.887 -26.413 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.273 11.728 -26.440 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.154 12.838 -25.054 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.954 11.086 -24.811 1.00 0.00 H new ATOM 1833 N VAL B 708 16.991 8.021 -13.209 1.00 0.00 N ATOM 1834 CA VAL B 708 16.518 6.694 -12.820 1.00 0.00 C ATOM 1835 C VAL B 708 16.050 6.609 -11.360 1.00 0.00 C ATOM 1836 O VAL B 708 15.580 7.606 -10.812 1.00 0.00 O ATOM 1837 CB VAL B 708 17.546 5.616 -13.181 1.00 0.00 C ATOM 1838 CG1 VAL B 708 18.036 5.763 -14.609 1.00 0.00 C ATOM 1839 CG2 VAL B 708 18.782 5.594 -12.290 1.00 0.00 C ATOM 0 HA VAL B 708 15.619 6.499 -13.405 1.00 0.00 H new ATOM 0 HB VAL B 708 16.997 4.685 -13.037 1.00 0.00 H new ATOM 0 HG11 VAL B 708 18.763 4.981 -14.827 1.00 0.00 H new ATOM 0 HG12 VAL B 708 17.193 5.675 -15.294 1.00 0.00 H new ATOM 0 HG13 VAL B 708 18.505 6.739 -14.734 1.00 0.00 H new ATOM 0 HG21 VAL B 708 19.453 4.801 -12.619 1.00 0.00 H new ATOM 0 HG22 VAL B 708 19.295 6.554 -12.355 1.00 0.00 H new ATOM 0 HG23 VAL B 708 18.483 5.412 -11.258 1.00 0.00 H new ATOM 1849 N ASP B 709 16.176 5.426 -10.738 1.00 0.00 N ATOM 1850 CA ASP B 709 15.774 5.146 -9.359 1.00 0.00 C ATOM 1851 C ASP B 709 16.095 6.302 -8.408 1.00 0.00 C ATOM 1852 O ASP B 709 17.251 6.779 -8.425 1.00 0.00 O ATOM 1853 CB ASP B 709 16.400 3.839 -8.862 1.00 0.00 C ATOM 1854 CG ASP B 709 17.919 3.802 -8.977 1.00 0.00 C ATOM 1855 OD1 ASP B 709 18.397 3.496 -10.092 1.00 0.00 O ATOM 1856 OD2 ASP B 709 18.586 4.071 -7.952 1.00 0.00 O ATOM 1857 OXT ASP B 709 15.171 6.701 -7.668 1.00 0.00 O ATOM 0 H ASP B 709 16.576 4.611 -11.203 1.00 0.00 H new ATOM 0 HA ASP B 709 14.690 5.033 -9.363 1.00 0.00 H new ATOM 0 HB2 ASP B 709 16.120 3.686 -7.820 1.00 0.00 H new ATOM 0 HB3 ASP B 709 15.982 3.008 -9.430 1.00 0.00 H new