USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 575 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 28 ASN : amide:sc= -2.23 K(o=-4.9,f=-7.3) USER MOD Set 1.2: A 37 MET CE :methyl 158:sc= -2.66 (180deg=-0.376) USER MOD Single : A 9 SER OG : rot 99:sc= 0.492 USER MOD Single : A 10 ASN : amide:sc= -3.18! C(o=-3.2!,f=-2.4!) USER MOD Single : A 11 THR OG1 : rot 77:sc= 0.785 USER MOD Single : A 23 GLN : amide:sc= -0.918 K(o=-0.92,f=-6.4!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -169:sc= 0.299 (180deg=-0.606!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot -91:sc= 0.433 USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= -0.0282 (180deg=-0.206) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 TYR OH : rot 30:sc= -2.45! USER MOD Single : A 79 SER OG : rot 180:sc= -3.01 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 7 8.441 -8.466 -0.086 1.00 0.00 N ATOM 2 CA GLU A 7 8.404 -8.839 1.323 1.00 0.00 C ATOM 3 C GLU A 7 9.061 -10.199 1.543 1.00 0.00 C ATOM 4 O GLU A 7 9.983 -10.332 2.348 1.00 0.00 O ATOM 5 CB GLU A 7 6.960 -8.871 1.827 1.00 0.00 C ATOM 6 CG GLU A 7 6.356 -7.492 2.034 1.00 0.00 C ATOM 7 CD GLU A 7 5.367 -7.455 3.183 1.00 0.00 C ATOM 8 OE1 GLU A 7 4.658 -8.462 3.389 1.00 0.00 O ATOM 9 OE2 GLU A 7 5.301 -6.417 3.875 1.00 0.00 O ATOM 0 HA GLU A 7 8.961 -8.090 1.886 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.348 -9.423 1.114 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.925 -9.419 2.769 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.154 -6.774 2.223 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.855 -7.177 1.118 1.00 0.00 H new ATOM 16 N LEU A 8 8.580 -11.205 0.821 1.00 0.00 N ATOM 17 CA LEU A 8 9.120 -12.556 0.937 1.00 0.00 C ATOM 18 C LEU A 8 10.604 -12.581 0.587 1.00 0.00 C ATOM 19 O LEU A 8 11.153 -11.595 0.095 1.00 0.00 O ATOM 20 CB LEU A 8 8.353 -13.512 0.023 1.00 0.00 C ATOM 21 CG LEU A 8 8.228 -13.087 -1.441 1.00 0.00 C ATOM 22 CD1 LEU A 8 9.514 -13.387 -2.195 1.00 0.00 C ATOM 23 CD2 LEU A 8 7.046 -13.783 -2.100 1.00 0.00 C ATOM 0 H LEU A 8 7.818 -11.111 0.150 1.00 0.00 H new ATOM 0 HA LEU A 8 9.004 -12.880 1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.842 -14.486 0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.350 -13.644 0.429 1.00 0.00 H new ATOM 0 HG LEU A 8 8.054 -12.011 -1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.407 -13.078 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.340 -12.842 -1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.719 -14.457 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.973 -13.468 -3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.189 -14.863 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.128 -13.517 -1.575 1.00 0.00 H new ATOM 35 N SER A 9 11.248 -13.715 0.843 1.00 0.00 N ATOM 36 CA SER A 9 12.670 -13.868 0.556 1.00 0.00 C ATOM 37 C SER A 9 12.887 -14.785 -0.643 1.00 0.00 C ATOM 38 O SER A 9 11.943 -15.380 -1.162 1.00 0.00 O ATOM 39 CB SER A 9 13.400 -14.428 1.779 1.00 0.00 C ATOM 40 OG SER A 9 13.799 -13.387 2.655 1.00 0.00 O ATOM 0 H SER A 9 10.808 -14.541 1.248 1.00 0.00 H new ATOM 0 HA SER A 9 13.075 -12.885 0.317 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.749 -15.124 2.308 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.275 -14.993 1.457 1.00 0.00 H new ATOM 0 HG SER A 9 13.156 -13.315 3.391 1.00 0.00 H new ATOM 46 N ASN A 10 14.138 -14.894 -1.079 1.00 0.00 N ATOM 47 CA ASN A 10 14.480 -15.737 -2.218 1.00 0.00 C ATOM 48 C ASN A 10 14.719 -17.178 -1.776 1.00 0.00 C ATOM 49 O ASN A 10 14.192 -18.118 -2.373 1.00 0.00 O ATOM 50 CB ASN A 10 15.725 -15.196 -2.925 1.00 0.00 C ATOM 51 CG ASN A 10 15.808 -15.642 -4.372 1.00 0.00 C ATOM 52 OD1 ASN A 10 14.921 -15.350 -5.175 1.00 0.00 O ATOM 53 ND2 ASN A 10 16.876 -16.353 -4.711 1.00 0.00 N ATOM 0 H ASN A 10 14.932 -14.409 -0.660 1.00 0.00 H new ATOM 0 HA ASN A 10 13.641 -15.723 -2.913 1.00 0.00 H new ATOM 0 HB2 ASN A 10 15.719 -14.107 -2.883 1.00 0.00 H new ATOM 0 HB3 ASN A 10 16.616 -15.530 -2.393 1.00 0.00 H new ATOM 0 HD21 ASN A 10 16.987 -16.681 -5.670 1.00 0.00 H new ATOM 0 HD22 ASN A 10 17.586 -16.571 -4.012 1.00 0.00 H new ATOM 60 N THR A 11 15.516 -17.344 -0.725 1.00 0.00 N ATOM 61 CA THR A 11 15.825 -18.669 -0.203 1.00 0.00 C ATOM 62 C THR A 11 15.682 -18.709 1.314 1.00 0.00 C ATOM 63 O THR A 11 16.627 -18.407 2.044 1.00 0.00 O ATOM 64 CB THR A 11 17.253 -19.105 -0.585 1.00 0.00 C ATOM 65 OG1 THR A 11 18.185 -18.070 -0.253 1.00 0.00 O ATOM 66 CG2 THR A 11 17.343 -19.420 -2.070 1.00 0.00 C ATOM 0 H THR A 11 15.959 -16.577 -0.219 1.00 0.00 H new ATOM 0 HA THR A 11 15.111 -19.360 -0.651 1.00 0.00 H new ATOM 0 HB THR A 11 17.497 -20.007 -0.024 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.352 -18.078 0.713 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.360 -19.725 -2.316 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.653 -20.228 -2.313 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.081 -18.533 -2.647 1.00 0.00 H new ATOM 74 N ARG A 12 14.497 -19.085 1.783 1.00 0.00 N ATOM 75 CA ARG A 12 14.231 -19.163 3.214 1.00 0.00 C ATOM 76 C ARG A 12 12.799 -19.621 3.477 1.00 0.00 C ATOM 77 O ARG A 12 11.842 -19.000 3.012 1.00 0.00 O ATOM 78 CB ARG A 12 14.473 -17.805 3.875 1.00 0.00 C ATOM 79 CG ARG A 12 15.314 -17.884 5.138 1.00 0.00 C ATOM 80 CD ARG A 12 15.672 -16.499 5.656 1.00 0.00 C ATOM 81 NE ARG A 12 17.094 -16.207 5.501 1.00 0.00 N ATOM 82 CZ ARG A 12 18.046 -16.784 6.226 1.00 0.00 C ATOM 83 NH1 ARG A 12 17.729 -17.679 7.151 1.00 0.00 N ATOM 84 NH2 ARG A 12 19.319 -16.465 6.025 1.00 0.00 N ATOM 0 H ARG A 12 13.706 -19.340 1.192 1.00 0.00 H new ATOM 0 HA ARG A 12 14.914 -19.895 3.645 1.00 0.00 H new ATOM 0 HB2 ARG A 12 14.966 -17.146 3.161 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.512 -17.351 4.116 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.768 -18.431 5.906 1.00 0.00 H new ATOM 0 HG3 ARG A 12 16.226 -18.445 4.935 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.088 -15.750 5.121 1.00 0.00 H new ATOM 0 HD3 ARG A 12 15.399 -16.424 6.709 1.00 0.00 H new ATOM 0 HE ARG A 12 17.372 -15.523 4.798 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.752 -17.926 7.308 1.00 0.00 H new ATOM 0 HH12 ARG A 12 18.462 -18.120 7.706 1.00 0.00 H new ATOM 0 HH21 ARG A 12 19.566 -15.777 5.314 1.00 0.00 H new ATOM 0 HH22 ARG A 12 20.050 -16.908 6.582 1.00 0.00 H new ATOM 98 N LEU A 13 12.660 -20.711 4.223 1.00 0.00 N ATOM 99 CA LEU A 13 11.345 -21.253 4.548 1.00 0.00 C ATOM 100 C LEU A 13 11.162 -21.371 6.058 1.00 0.00 C ATOM 101 O LEU A 13 11.932 -22.052 6.735 1.00 0.00 O ATOM 102 CB LEU A 13 11.159 -22.622 3.891 1.00 0.00 C ATOM 103 CG LEU A 13 11.890 -22.835 2.565 1.00 0.00 C ATOM 104 CD1 LEU A 13 11.538 -24.191 1.973 1.00 0.00 C ATOM 105 CD2 LEU A 13 11.555 -21.720 1.586 1.00 0.00 C ATOM 0 H LEU A 13 13.441 -21.237 4.614 1.00 0.00 H new ATOM 0 HA LEU A 13 10.591 -20.567 4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.490 -23.387 4.593 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.094 -22.781 3.725 1.00 0.00 H new ATOM 0 HG LEU A 13 12.963 -22.813 2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.068 -24.325 1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.830 -24.978 2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.464 -24.243 1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.084 -21.888 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.481 -21.710 1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.859 -20.762 2.008 1.00 0.00 H new ATOM 117 N PHE A 14 10.136 -20.706 6.578 1.00 0.00 N ATOM 118 CA PHE A 14 9.851 -20.737 8.008 1.00 0.00 C ATOM 119 C PHE A 14 8.829 -21.822 8.335 1.00 0.00 C ATOM 120 O PHE A 14 7.692 -21.782 7.864 1.00 0.00 O ATOM 121 CB PHE A 14 9.334 -19.376 8.476 1.00 0.00 C ATOM 122 CG PHE A 14 8.527 -19.444 9.741 1.00 0.00 C ATOM 123 CD1 PHE A 14 9.081 -19.950 10.906 1.00 0.00 C ATOM 124 CD2 PHE A 14 7.214 -19.002 9.766 1.00 0.00 C ATOM 125 CE1 PHE A 14 8.342 -20.013 12.072 1.00 0.00 C ATOM 126 CE2 PHE A 14 6.470 -19.063 10.929 1.00 0.00 C ATOM 127 CZ PHE A 14 7.034 -19.570 12.083 1.00 0.00 C ATOM 0 H PHE A 14 9.488 -20.139 6.031 1.00 0.00 H new ATOM 0 HA PHE A 14 10.778 -20.966 8.533 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.181 -18.708 8.631 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.722 -18.938 7.687 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.103 -20.299 10.903 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.767 -18.605 8.866 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.787 -20.408 12.973 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.448 -18.714 10.935 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.453 -19.620 12.992 1.00 0.00 H new ATOM 137 N VAL A 15 9.242 -22.792 9.144 1.00 0.00 N ATOM 138 CA VAL A 15 8.364 -23.888 9.536 1.00 0.00 C ATOM 139 C VAL A 15 7.811 -23.675 10.940 1.00 0.00 C ATOM 140 O VAL A 15 8.318 -22.848 11.699 1.00 0.00 O ATOM 141 CB VAL A 15 9.098 -25.241 9.484 1.00 0.00 C ATOM 142 CG1 VAL A 15 8.102 -26.384 9.359 1.00 0.00 C ATOM 143 CG2 VAL A 15 10.094 -25.263 8.335 1.00 0.00 C ATOM 0 H VAL A 15 10.180 -22.841 9.541 1.00 0.00 H new ATOM 0 HA VAL A 15 7.539 -23.903 8.823 1.00 0.00 H new ATOM 0 HB VAL A 15 9.650 -25.371 10.415 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.639 -27.332 9.324 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.432 -26.378 10.219 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.521 -26.262 8.445 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.603 -26.226 8.313 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.567 -25.110 7.393 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.827 -24.468 8.473 1.00 0.00 H new ATOM 153 N ARG A 16 6.770 -24.426 11.281 1.00 0.00 N ATOM 154 CA ARG A 16 6.147 -24.320 12.595 1.00 0.00 C ATOM 155 C ARG A 16 7.001 -25.005 13.658 1.00 0.00 C ATOM 156 O ARG A 16 7.959 -25.717 13.356 1.00 0.00 O ATOM 157 CB ARG A 16 4.748 -24.938 12.572 1.00 0.00 C ATOM 158 CG ARG A 16 4.671 -26.296 13.250 1.00 0.00 C ATOM 159 CD ARG A 16 3.407 -27.044 12.856 1.00 0.00 C ATOM 160 NE ARG A 16 2.476 -27.172 13.974 1.00 0.00 N ATOM 161 CZ ARG A 16 1.637 -26.211 14.345 1.00 0.00 C ATOM 162 NH1 ARG A 16 1.612 -25.059 13.690 1.00 0.00 N ATOM 163 NH2 ARG A 16 0.819 -26.403 15.373 1.00 0.00 N ATOM 0 H ARG A 16 6.339 -25.116 10.665 1.00 0.00 H new ATOM 0 HA ARG A 16 6.064 -23.262 12.846 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.051 -24.257 13.061 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.422 -25.039 11.537 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.545 -26.889 12.980 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.696 -26.166 14.332 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.917 -26.521 12.035 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.672 -28.036 12.489 1.00 0.00 H new ATOM 0 HE ARG A 16 2.470 -28.047 14.499 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.238 -24.908 12.899 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.967 -24.323 13.977 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.834 -27.289 15.879 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.175 -25.665 15.657 1.00 0.00 H new ATOM 177 N PRO A 17 6.646 -24.787 14.933 1.00 0.00 N ATOM 178 CA PRO A 17 7.367 -25.375 16.067 1.00 0.00 C ATOM 179 C PRO A 17 7.161 -26.882 16.165 1.00 0.00 C ATOM 180 O PRO A 17 6.030 -27.360 16.259 1.00 0.00 O ATOM 181 CB PRO A 17 6.753 -24.671 17.280 1.00 0.00 C ATOM 182 CG PRO A 17 5.393 -24.261 16.832 1.00 0.00 C ATOM 183 CD PRO A 17 5.515 -23.950 15.366 1.00 0.00 C ATOM 0 HA PRO A 17 8.445 -25.241 15.979 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.702 -25.338 18.141 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.348 -23.808 17.580 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.669 -25.058 17.003 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.045 -23.390 17.388 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.602 -24.198 14.825 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.710 -22.891 15.195 1.00 0.00 H new ATOM 191 N PHE A 18 8.261 -27.628 16.144 1.00 0.00 N ATOM 192 CA PHE A 18 8.201 -29.082 16.230 1.00 0.00 C ATOM 193 C PHE A 18 8.334 -29.547 17.678 1.00 0.00 C ATOM 194 O PHE A 18 8.838 -28.830 18.542 1.00 0.00 O ATOM 195 CB PHE A 18 9.304 -29.711 15.377 1.00 0.00 C ATOM 196 CG PHE A 18 9.151 -29.444 13.907 1.00 0.00 C ATOM 197 CD1 PHE A 18 9.657 -28.284 13.343 1.00 0.00 C ATOM 198 CD2 PHE A 18 8.500 -30.353 13.089 1.00 0.00 C ATOM 199 CE1 PHE A 18 9.518 -28.035 11.991 1.00 0.00 C ATOM 200 CE2 PHE A 18 8.358 -30.110 11.735 1.00 0.00 C ATOM 201 CZ PHE A 18 8.866 -28.950 11.186 1.00 0.00 C ATOM 0 H PHE A 18 9.205 -27.249 16.068 1.00 0.00 H new ATOM 0 HA PHE A 18 7.231 -29.404 15.851 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.270 -29.331 15.709 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.311 -30.788 15.544 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.166 -27.565 13.968 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.099 -31.262 13.513 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.918 -27.127 11.564 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.850 -30.827 11.108 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.754 -28.758 10.129 1.00 0.00 H new ATOM 211 N PRO A 19 7.871 -30.776 17.949 1.00 0.00 N ATOM 212 CA PRO A 19 7.927 -31.365 19.290 1.00 0.00 C ATOM 213 C PRO A 19 9.352 -31.701 19.716 1.00 0.00 C ATOM 214 O PRO A 19 10.318 -31.184 19.153 1.00 0.00 O ATOM 215 CB PRO A 19 7.095 -32.642 19.151 1.00 0.00 C ATOM 216 CG PRO A 19 7.177 -32.993 17.706 1.00 0.00 C ATOM 217 CD PRO A 19 7.258 -31.686 16.967 1.00 0.00 C ATOM 0 HA PRO A 19 7.557 -30.680 20.052 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.491 -33.442 19.776 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.063 -32.477 19.460 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.052 -33.611 17.503 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.303 -33.565 17.393 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.864 -31.771 16.065 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.273 -31.338 16.657 1.00 0.00 H new ATOM 225 N LEU A 20 9.477 -32.570 20.714 1.00 0.00 N ATOM 226 CA LEU A 20 10.785 -32.976 21.216 1.00 0.00 C ATOM 227 C LEU A 20 11.683 -33.448 20.076 1.00 0.00 C ATOM 228 O LEU A 20 12.908 -33.454 20.200 1.00 0.00 O ATOM 229 CB LEU A 20 10.632 -34.089 22.254 1.00 0.00 C ATOM 230 CG LEU A 20 9.791 -35.293 21.828 1.00 0.00 C ATOM 231 CD1 LEU A 20 10.659 -36.335 21.141 1.00 0.00 C ATOM 232 CD2 LEU A 20 9.079 -35.897 23.030 1.00 0.00 C ATOM 0 H LEU A 20 8.688 -33.007 21.191 1.00 0.00 H new ATOM 0 HA LEU A 20 11.251 -32.110 21.687 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.626 -34.444 22.526 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.189 -33.661 23.153 1.00 0.00 H new ATOM 0 HG LEU A 20 9.038 -34.953 21.117 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.043 -37.184 20.845 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.122 -35.897 20.257 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.435 -36.672 21.828 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.485 -36.753 22.709 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.816 -36.222 23.764 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.425 -35.149 23.479 1.00 0.00 H new ATOM 244 N ASP A 21 11.066 -33.840 18.967 1.00 0.00 N ATOM 245 CA ASP A 21 11.809 -34.310 17.804 1.00 0.00 C ATOM 246 C ASP A 21 12.173 -33.148 16.886 1.00 0.00 C ATOM 247 O ASP A 21 12.381 -33.332 15.686 1.00 0.00 O ATOM 248 CB ASP A 21 10.991 -35.348 17.035 1.00 0.00 C ATOM 249 CG ASP A 21 11.068 -36.726 17.661 1.00 0.00 C ATOM 250 OD1 ASP A 21 12.107 -37.040 18.277 1.00 0.00 O ATOM 251 OD2 ASP A 21 10.089 -37.491 17.534 1.00 0.00 O ATOM 0 H ASP A 21 10.053 -33.842 18.849 1.00 0.00 H new ATOM 0 HA ASP A 21 12.731 -34.774 18.155 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.950 -35.028 16.995 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.349 -35.399 16.007 1.00 0.00 H new ATOM 256 N VAL A 22 12.247 -31.950 17.456 1.00 0.00 N ATOM 257 CA VAL A 22 12.586 -30.757 16.689 1.00 0.00 C ATOM 258 C VAL A 22 14.084 -30.685 16.418 1.00 0.00 C ATOM 259 O VAL A 22 14.839 -30.105 17.198 1.00 0.00 O ATOM 260 CB VAL A 22 12.146 -29.475 17.421 1.00 0.00 C ATOM 261 CG1 VAL A 22 12.675 -29.466 18.847 1.00 0.00 C ATOM 262 CG2 VAL A 22 12.613 -28.242 16.663 1.00 0.00 C ATOM 0 H VAL A 22 12.077 -31.779 18.447 1.00 0.00 H new ATOM 0 HA VAL A 22 12.051 -30.828 15.742 1.00 0.00 H new ATOM 0 HB VAL A 22 11.057 -29.457 17.463 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.354 -28.553 19.348 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.286 -30.331 19.385 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.764 -29.508 18.831 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.293 -27.346 17.194 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.700 -28.251 16.588 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.180 -28.244 15.663 1.00 0.00 H new ATOM 272 N GLN A 23 14.508 -31.279 15.307 1.00 0.00 N ATOM 273 CA GLN A 23 15.917 -31.282 14.933 1.00 0.00 C ATOM 274 C GLN A 23 16.078 -31.270 13.416 1.00 0.00 C ATOM 275 O GLN A 23 15.153 -31.617 12.682 1.00 0.00 O ATOM 276 CB GLN A 23 16.620 -32.506 15.522 1.00 0.00 C ATOM 277 CG GLN A 23 15.966 -33.825 15.143 1.00 0.00 C ATOM 278 CD GLN A 23 16.602 -35.013 15.837 1.00 0.00 C ATOM 279 OE1 GLN A 23 16.940 -36.011 15.200 1.00 0.00 O ATOM 280 NE2 GLN A 23 16.769 -34.912 17.150 1.00 0.00 N ATOM 0 H GLN A 23 13.896 -31.764 14.651 1.00 0.00 H new ATOM 0 HA GLN A 23 16.376 -30.379 15.336 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.657 -32.515 15.187 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.637 -32.417 16.608 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.906 -33.786 15.395 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.032 -33.962 14.064 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.474 -34.066 17.638 1.00 0.00 H new ATOM 0 HE22 GLN A 23 17.192 -35.680 17.671 1.00 0.00 H new ATOM 289 N GLU A 24 17.258 -30.868 12.954 1.00 0.00 N ATOM 290 CA GLU A 24 17.538 -30.809 11.524 1.00 0.00 C ATOM 291 C GLU A 24 17.342 -32.177 10.875 1.00 0.00 C ATOM 292 O GLU A 24 17.136 -32.278 9.666 1.00 0.00 O ATOM 293 CB GLU A 24 18.966 -30.317 11.282 1.00 0.00 C ATOM 294 CG GLU A 24 20.034 -31.305 11.721 1.00 0.00 C ATOM 295 CD GLU A 24 21.418 -30.923 11.235 1.00 0.00 C ATOM 296 OE1 GLU A 24 21.512 -30.086 10.313 1.00 0.00 O ATOM 297 OE2 GLU A 24 22.407 -31.462 11.775 1.00 0.00 O ATOM 0 H GLU A 24 18.035 -30.579 13.549 1.00 0.00 H new ATOM 0 HA GLU A 24 16.838 -30.107 11.071 1.00 0.00 H new ATOM 0 HB2 GLU A 24 19.093 -30.106 10.220 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.112 -29.377 11.814 1.00 0.00 H new ATOM 0 HG2 GLU A 24 20.040 -31.368 12.809 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.782 -32.297 11.346 1.00 0.00 H new ATOM 304 N SER A 25 17.409 -33.226 11.688 1.00 0.00 N ATOM 305 CA SER A 25 17.244 -34.588 11.194 1.00 0.00 C ATOM 306 C SER A 25 15.938 -34.729 10.419 1.00 0.00 C ATOM 307 O SER A 25 15.931 -35.168 9.269 1.00 0.00 O ATOM 308 CB SER A 25 17.271 -35.582 12.357 1.00 0.00 C ATOM 309 OG SER A 25 17.530 -36.897 11.897 1.00 0.00 O ATOM 0 H SER A 25 17.576 -33.159 12.692 1.00 0.00 H new ATOM 0 HA SER A 25 18.072 -34.807 10.520 1.00 0.00 H new ATOM 0 HB2 SER A 25 18.037 -35.287 13.074 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.316 -35.558 12.882 1.00 0.00 H new ATOM 0 HG SER A 25 17.544 -37.513 12.659 1.00 0.00 H new ATOM 315 N GLU A 26 14.834 -34.355 11.057 1.00 0.00 N ATOM 316 CA GLU A 26 13.521 -34.441 10.428 1.00 0.00 C ATOM 317 C GLU A 26 13.390 -33.420 9.302 1.00 0.00 C ATOM 318 O GLU A 26 12.832 -33.714 8.244 1.00 0.00 O ATOM 319 CB GLU A 26 12.419 -34.217 11.465 1.00 0.00 C ATOM 320 CG GLU A 26 12.690 -33.051 12.401 1.00 0.00 C ATOM 321 CD GLU A 26 11.450 -32.602 13.149 1.00 0.00 C ATOM 322 OE1 GLU A 26 10.735 -33.474 13.687 1.00 0.00 O ATOM 323 OE2 GLU A 26 11.195 -31.381 13.197 1.00 0.00 O ATOM 0 H GLU A 26 14.822 -33.989 12.009 1.00 0.00 H new ATOM 0 HA GLU A 26 13.414 -35.440 10.004 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.475 -34.045 10.948 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.298 -35.125 12.056 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.459 -33.337 13.119 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.086 -32.214 11.827 1.00 0.00 H new ATOM 330 N LEU A 27 13.908 -32.219 9.536 1.00 0.00 N ATOM 331 CA LEU A 27 13.849 -31.153 8.542 1.00 0.00 C ATOM 332 C LEU A 27 14.598 -31.549 7.274 1.00 0.00 C ATOM 333 O LEU A 27 14.249 -31.121 6.175 1.00 0.00 O ATOM 334 CB LEU A 27 14.437 -29.862 9.114 1.00 0.00 C ATOM 335 CG LEU A 27 13.815 -29.361 10.418 1.00 0.00 C ATOM 336 CD1 LEU A 27 13.974 -27.854 10.540 1.00 0.00 C ATOM 337 CD2 LEU A 27 12.347 -29.752 10.493 1.00 0.00 C ATOM 0 H LEU A 27 14.374 -31.959 10.406 1.00 0.00 H new ATOM 0 HA LEU A 27 12.803 -30.986 8.286 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.504 -30.014 9.279 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.339 -29.078 8.363 1.00 0.00 H new ATOM 0 HG LEU A 27 14.338 -29.830 11.252 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.526 -27.515 11.474 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.034 -27.598 10.532 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.477 -27.367 9.701 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.921 -29.387 11.428 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.810 -29.312 9.653 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.257 -30.838 10.452 1.00 0.00 H new ATOM 349 N ASN A 28 15.630 -32.371 7.435 1.00 0.00 N ATOM 350 CA ASN A 28 16.428 -32.827 6.302 1.00 0.00 C ATOM 351 C ASN A 28 15.730 -33.967 5.568 1.00 0.00 C ATOM 352 O ASN A 28 15.696 -33.997 4.338 1.00 0.00 O ATOM 353 CB ASN A 28 17.810 -33.282 6.776 1.00 0.00 C ATOM 354 CG ASN A 28 18.809 -32.142 6.824 1.00 0.00 C ATOM 355 OD1 ASN A 28 19.845 -32.181 6.160 1.00 0.00 O ATOM 356 ND2 ASN A 28 18.502 -31.119 7.613 1.00 0.00 N ATOM 0 H ASN A 28 15.933 -32.735 8.338 1.00 0.00 H new ATOM 0 HA ASN A 28 16.544 -31.991 5.612 1.00 0.00 H new ATOM 0 HB2 ASN A 28 17.723 -33.727 7.767 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.182 -34.060 6.109 1.00 0.00 H new ATOM 0 HD21 ASN A 28 19.136 -30.323 7.686 1.00 0.00 H new ATOM 0 HD22 ASN A 28 17.632 -31.129 8.146 1.00 0.00 H new ATOM 363 N GLU A 29 15.173 -34.902 6.331 1.00 0.00 N ATOM 364 CA GLU A 29 14.475 -36.044 5.751 1.00 0.00 C ATOM 365 C GLU A 29 13.152 -35.613 5.125 1.00 0.00 C ATOM 366 O GLU A 29 12.590 -36.320 4.289 1.00 0.00 O ATOM 367 CB GLU A 29 14.223 -37.111 6.819 1.00 0.00 C ATOM 368 CG GLU A 29 15.484 -37.829 7.272 1.00 0.00 C ATOM 369 CD GLU A 29 15.209 -39.238 7.762 1.00 0.00 C ATOM 370 OE1 GLU A 29 15.197 -40.164 6.925 1.00 0.00 O ATOM 371 OE2 GLU A 29 15.005 -39.413 8.981 1.00 0.00 O ATOM 0 H GLU A 29 15.191 -34.892 7.351 1.00 0.00 H new ATOM 0 HA GLU A 29 15.107 -36.465 4.969 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.751 -36.644 7.683 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.518 -37.845 6.428 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.193 -37.868 6.445 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.957 -37.257 8.070 1.00 0.00 H new ATOM 378 N ILE A 30 12.661 -34.449 5.537 1.00 0.00 N ATOM 379 CA ILE A 30 11.406 -33.923 5.017 1.00 0.00 C ATOM 380 C ILE A 30 11.646 -33.007 3.822 1.00 0.00 C ATOM 381 O ILE A 30 11.078 -33.207 2.748 1.00 0.00 O ATOM 382 CB ILE A 30 10.630 -33.146 6.097 1.00 0.00 C ATOM 383 CG1 ILE A 30 10.177 -34.092 7.211 1.00 0.00 C ATOM 384 CG2 ILE A 30 9.435 -32.434 5.482 1.00 0.00 C ATOM 385 CD1 ILE A 30 9.856 -33.387 8.510 1.00 0.00 C ATOM 0 H ILE A 30 13.114 -33.853 6.230 1.00 0.00 H new ATOM 0 HA ILE A 30 10.812 -34.781 4.701 1.00 0.00 H new ATOM 0 HB ILE A 30 11.292 -32.396 6.530 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.295 -34.638 6.876 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.959 -34.829 7.391 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.897 -31.890 6.258 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.780 -31.734 4.721 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.770 -33.167 5.026 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.542 -34.120 9.254 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.742 -32.863 8.868 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.052 -32.669 8.346 1.00 0.00 H new ATOM 397 N PHE A 31 12.494 -32.002 4.015 1.00 0.00 N ATOM 398 CA PHE A 31 12.811 -31.054 2.953 1.00 0.00 C ATOM 399 C PHE A 31 13.889 -31.614 2.029 1.00 0.00 C ATOM 400 O PHE A 31 14.273 -30.978 1.049 1.00 0.00 O ATOM 401 CB PHE A 31 13.275 -29.724 3.549 1.00 0.00 C ATOM 402 CG PHE A 31 12.189 -28.979 4.271 1.00 0.00 C ATOM 403 CD1 PHE A 31 11.691 -29.448 5.475 1.00 0.00 C ATOM 404 CD2 PHE A 31 11.665 -27.809 3.744 1.00 0.00 C ATOM 405 CE1 PHE A 31 10.692 -28.765 6.142 1.00 0.00 C ATOM 406 CE2 PHE A 31 10.666 -27.121 4.406 1.00 0.00 C ATOM 407 CZ PHE A 31 10.178 -27.600 5.606 1.00 0.00 C ATOM 0 H PHE A 31 12.974 -31.823 4.897 1.00 0.00 H new ATOM 0 HA PHE A 31 11.907 -30.886 2.368 1.00 0.00 H new ATOM 0 HB2 PHE A 31 14.097 -29.912 4.240 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.667 -29.094 2.750 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.088 -30.359 5.898 1.00 0.00 H new ATOM 0 HD2 PHE A 31 12.042 -27.431 2.805 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.314 -29.141 7.081 1.00 0.00 H new ATOM 0 HE2 PHE A 31 10.267 -26.210 3.985 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.396 -27.065 6.124 1.00 0.00 H new ATOM 417 N GLY A 32 14.373 -32.810 2.351 1.00 0.00 N ATOM 418 CA GLY A 32 15.402 -33.436 1.541 1.00 0.00 C ATOM 419 C GLY A 32 15.008 -33.539 0.081 1.00 0.00 C ATOM 420 O GLY A 32 15.672 -32.996 -0.803 1.00 0.00 O ATOM 0 H GLY A 32 14.071 -33.356 3.158 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.325 -32.863 1.625 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.609 -34.433 1.929 1.00 0.00 H new ATOM 424 N PRO A 33 13.905 -34.251 -0.190 1.00 0.00 N ATOM 425 CA PRO A 33 13.400 -34.441 -1.553 1.00 0.00 C ATOM 426 C PRO A 33 12.834 -33.155 -2.146 1.00 0.00 C ATOM 427 O PRO A 33 11.659 -33.092 -2.510 1.00 0.00 O ATOM 428 CB PRO A 33 12.291 -35.482 -1.379 1.00 0.00 C ATOM 429 CG PRO A 33 11.843 -35.326 0.033 1.00 0.00 C ATOM 430 CD PRO A 33 13.064 -34.926 0.814 1.00 0.00 C ATOM 0 HA PRO A 33 14.188 -34.748 -2.240 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.471 -35.307 -2.076 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.661 -36.490 -1.568 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.063 -34.569 0.113 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.424 -36.257 0.414 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.813 -34.261 1.640 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.568 -35.792 1.244 1.00 0.00 H new ATOM 438 N PHE A 34 13.676 -32.131 -2.240 1.00 0.00 N ATOM 439 CA PHE A 34 13.259 -30.846 -2.788 1.00 0.00 C ATOM 440 C PHE A 34 14.432 -30.134 -3.456 1.00 0.00 C ATOM 441 O PHE A 34 14.284 -29.536 -4.522 1.00 0.00 O ATOM 442 CB PHE A 34 12.673 -29.963 -1.685 1.00 0.00 C ATOM 443 CG PHE A 34 11.250 -30.300 -1.340 1.00 0.00 C ATOM 444 CD1 PHE A 34 10.331 -30.588 -2.336 1.00 0.00 C ATOM 445 CD2 PHE A 34 10.833 -30.329 -0.019 1.00 0.00 C ATOM 446 CE1 PHE A 34 9.022 -30.899 -2.021 1.00 0.00 C ATOM 447 CE2 PHE A 34 9.525 -30.640 0.302 1.00 0.00 C ATOM 448 CZ PHE A 34 8.618 -30.924 -0.701 1.00 0.00 C ATOM 0 H PHE A 34 14.651 -32.166 -1.944 1.00 0.00 H new ATOM 0 HA PHE A 34 12.493 -31.031 -3.540 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.288 -30.058 -0.790 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.725 -28.920 -1.999 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.641 -30.569 -3.370 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.538 -30.106 0.769 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.315 -31.122 -2.807 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.212 -30.661 1.336 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.595 -31.165 -0.453 1.00 0.00 H new ATOM 458 N GLY A 35 15.598 -30.201 -2.821 1.00 0.00 N ATOM 459 CA GLY A 35 16.779 -29.559 -3.366 1.00 0.00 C ATOM 460 C GLY A 35 17.903 -29.455 -2.355 1.00 0.00 C ATOM 461 O GLY A 35 17.737 -29.771 -1.176 1.00 0.00 O ATOM 0 H GLY A 35 15.745 -30.689 -1.938 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.126 -30.120 -4.233 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.517 -28.561 -3.717 1.00 0.00 H new ATOM 465 N PRO A 36 19.079 -29.005 -2.815 1.00 0.00 N ATOM 466 CA PRO A 36 20.258 -28.852 -1.958 1.00 0.00 C ATOM 467 C PRO A 36 20.103 -27.713 -0.956 1.00 0.00 C ATOM 468 O PRO A 36 20.268 -26.543 -1.302 1.00 0.00 O ATOM 469 CB PRO A 36 21.381 -28.541 -2.951 1.00 0.00 C ATOM 470 CG PRO A 36 20.691 -27.937 -4.126 1.00 0.00 C ATOM 471 CD PRO A 36 19.348 -28.609 -4.208 1.00 0.00 C ATOM 0 HA PRO A 36 20.439 -29.740 -1.353 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.109 -27.852 -2.522 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.923 -29.444 -3.231 1.00 0.00 H new ATOM 0 HG2 PRO A 36 20.581 -26.860 -4.003 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.264 -28.097 -5.040 1.00 0.00 H new ATOM 0 HD2 PRO A 36 18.583 -27.932 -4.588 1.00 0.00 H new ATOM 0 HD3 PRO A 36 19.370 -29.472 -4.874 1.00 0.00 H new ATOM 479 N MET A 37 19.785 -28.062 0.286 1.00 0.00 N ATOM 480 CA MET A 37 19.609 -27.068 1.338 1.00 0.00 C ATOM 481 C MET A 37 20.929 -26.371 1.654 1.00 0.00 C ATOM 482 O MET A 37 21.910 -27.016 2.024 1.00 0.00 O ATOM 483 CB MET A 37 19.051 -27.725 2.602 1.00 0.00 C ATOM 484 CG MET A 37 17.837 -28.603 2.345 1.00 0.00 C ATOM 485 SD MET A 37 18.224 -30.363 2.421 1.00 0.00 S ATOM 486 CE MET A 37 18.506 -30.572 4.177 1.00 0.00 C ATOM 0 H MET A 37 19.644 -29.026 0.589 1.00 0.00 H new ATOM 0 HA MET A 37 18.900 -26.321 0.982 1.00 0.00 H new ATOM 0 HB2 MET A 37 19.833 -28.327 3.064 1.00 0.00 H new ATOM 0 HB3 MET A 37 18.782 -26.948 3.317 1.00 0.00 H new ATOM 0 HG2 MET A 37 17.065 -28.373 3.079 1.00 0.00 H new ATOM 0 HG3 MET A 37 17.424 -28.368 1.364 1.00 0.00 H new ATOM 0 HE1 MET A 37 18.369 -31.620 4.445 1.00 0.00 H new ATOM 0 HE2 MET A 37 19.523 -30.264 4.421 1.00 0.00 H new ATOM 0 HE3 MET A 37 17.798 -29.959 4.735 1.00 0.00 H new ATOM 496 N LYS A 38 20.946 -25.051 1.504 1.00 0.00 N ATOM 497 CA LYS A 38 22.144 -24.266 1.774 1.00 0.00 C ATOM 498 C LYS A 38 22.340 -24.068 3.274 1.00 0.00 C ATOM 499 O LYS A 38 23.465 -23.918 3.747 1.00 0.00 O ATOM 500 CB LYS A 38 22.055 -22.906 1.077 1.00 0.00 C ATOM 501 CG LYS A 38 23.409 -22.275 0.800 1.00 0.00 C ATOM 502 CD LYS A 38 24.064 -22.879 -0.431 1.00 0.00 C ATOM 503 CE LYS A 38 24.967 -24.047 -0.065 1.00 0.00 C ATOM 504 NZ LYS A 38 24.536 -25.309 -0.727 1.00 0.00 N ATOM 0 H LYS A 38 20.143 -24.502 1.197 1.00 0.00 H new ATOM 0 HA LYS A 38 23.002 -24.813 1.383 1.00 0.00 H new ATOM 0 HB2 LYS A 38 21.519 -23.024 0.135 1.00 0.00 H new ATOM 0 HB3 LYS A 38 21.467 -22.228 1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 38 23.289 -21.201 0.659 1.00 0.00 H new ATOM 0 HG3 LYS A 38 24.059 -22.413 1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 38 23.295 -23.216 -1.125 1.00 0.00 H new ATOM 0 HD3 LYS A 38 24.646 -22.115 -0.947 1.00 0.00 H new ATOM 0 HE2 LYS A 38 25.993 -23.817 -0.353 1.00 0.00 H new ATOM 0 HE3 LYS A 38 24.963 -24.184 1.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 25.053 -26.112 -0.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 23.515 -25.444 -0.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 24.739 -25.254 -1.745 1.00 0.00 H new ATOM 518 N GLU A 39 21.236 -24.072 4.015 1.00 0.00 N ATOM 519 CA GLU A 39 21.288 -23.894 5.461 1.00 0.00 C ATOM 520 C GLU A 39 20.005 -24.395 6.118 1.00 0.00 C ATOM 521 O GLU A 39 18.977 -24.550 5.459 1.00 0.00 O ATOM 522 CB GLU A 39 21.509 -22.420 5.809 1.00 0.00 C ATOM 523 CG GLU A 39 22.562 -22.199 6.881 1.00 0.00 C ATOM 524 CD GLU A 39 23.905 -22.798 6.513 1.00 0.00 C ATOM 525 OE1 GLU A 39 24.601 -22.214 5.656 1.00 0.00 O ATOM 526 OE2 GLU A 39 24.260 -23.851 7.082 1.00 0.00 O ATOM 0 H GLU A 39 20.296 -24.196 3.638 1.00 0.00 H new ATOM 0 HA GLU A 39 22.124 -24.480 5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 39 21.802 -21.883 4.907 1.00 0.00 H new ATOM 0 HB3 GLU A 39 20.566 -21.989 6.144 1.00 0.00 H new ATOM 0 HG2 GLU A 39 22.681 -21.129 7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 39 22.218 -22.636 7.818 1.00 0.00 H new ATOM 533 N VAL A 40 20.073 -24.649 7.421 1.00 0.00 N ATOM 534 CA VAL A 40 18.918 -25.133 8.167 1.00 0.00 C ATOM 535 C VAL A 40 19.012 -24.743 9.638 1.00 0.00 C ATOM 536 O VAL A 40 19.988 -25.065 10.317 1.00 0.00 O ATOM 537 CB VAL A 40 18.782 -26.663 8.061 1.00 0.00 C ATOM 538 CG1 VAL A 40 18.105 -27.049 6.755 1.00 0.00 C ATOM 539 CG2 VAL A 40 20.145 -27.329 8.181 1.00 0.00 C ATOM 0 H VAL A 40 20.916 -24.527 7.982 1.00 0.00 H new ATOM 0 HA VAL A 40 18.038 -24.666 7.725 1.00 0.00 H new ATOM 0 HB VAL A 40 18.158 -27.013 8.884 1.00 0.00 H new ATOM 0 HG11 VAL A 40 18.017 -28.134 6.697 1.00 0.00 H new ATOM 0 HG12 VAL A 40 17.112 -26.602 6.714 1.00 0.00 H new ATOM 0 HG13 VAL A 40 18.700 -26.688 5.916 1.00 0.00 H new ATOM 0 HG21 VAL A 40 20.030 -28.410 8.104 1.00 0.00 H new ATOM 0 HG22 VAL A 40 20.795 -26.975 7.380 1.00 0.00 H new ATOM 0 HG23 VAL A 40 20.588 -27.079 9.145 1.00 0.00 H new ATOM 549 N LYS A 41 17.991 -24.047 10.127 1.00 0.00 N ATOM 550 CA LYS A 41 17.956 -23.614 11.518 1.00 0.00 C ATOM 551 C LYS A 41 16.802 -24.275 12.265 1.00 0.00 C ATOM 552 O LYS A 41 15.661 -24.260 11.803 1.00 0.00 O ATOM 553 CB LYS A 41 17.821 -22.091 11.597 1.00 0.00 C ATOM 554 CG LYS A 41 18.538 -21.359 10.475 1.00 0.00 C ATOM 555 CD LYS A 41 20.031 -21.640 10.490 1.00 0.00 C ATOM 556 CE LYS A 41 20.697 -21.049 11.723 1.00 0.00 C ATOM 557 NZ LYS A 41 21.582 -19.902 11.380 1.00 0.00 N ATOM 0 H LYS A 41 17.176 -23.771 9.579 1.00 0.00 H new ATOM 0 HA LYS A 41 18.892 -23.915 11.989 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.764 -21.826 11.575 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.216 -21.749 12.554 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.119 -21.663 9.516 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.368 -20.287 10.572 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.200 -22.717 10.465 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.490 -21.224 9.593 1.00 0.00 H new ATOM 0 HE2 LYS A 41 19.932 -20.720 12.426 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.281 -21.820 12.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 22.017 -19.528 12.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 22.328 -20.221 10.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.021 -19.155 10.924 1.00 0.00 H new ATOM 571 N ILE A 42 17.106 -24.854 13.422 1.00 0.00 N ATOM 572 CA ILE A 42 16.094 -25.519 14.233 1.00 0.00 C ATOM 573 C ILE A 42 16.097 -24.986 15.662 1.00 0.00 C ATOM 574 O ILE A 42 17.024 -25.246 16.430 1.00 0.00 O ATOM 575 CB ILE A 42 16.309 -27.043 14.265 1.00 0.00 C ATOM 576 CG1 ILE A 42 17.335 -27.458 13.208 1.00 0.00 C ATOM 577 CG2 ILE A 42 14.990 -27.769 14.044 1.00 0.00 C ATOM 578 CD1 ILE A 42 16.825 -27.332 11.789 1.00 0.00 C ATOM 0 H ILE A 42 18.045 -24.876 13.819 1.00 0.00 H new ATOM 0 HA ILE A 42 15.130 -25.307 13.770 1.00 0.00 H new ATOM 0 HB ILE A 42 16.694 -27.320 15.246 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.229 -26.844 13.320 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.633 -28.491 13.388 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.159 -28.846 14.069 1.00 0.00 H new ATOM 0 HG22 ILE A 42 14.287 -27.493 14.830 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.579 -27.489 13.074 1.00 0.00 H new ATOM 0 HD11 ILE A 42 17.604 -27.643 11.093 1.00 0.00 H new ATOM 0 HD12 ILE A 42 15.949 -27.967 11.660 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.554 -26.295 11.591 1.00 0.00 H new ATOM 590 N LEU A 43 15.055 -24.241 16.012 1.00 0.00 N ATOM 591 CA LEU A 43 14.936 -23.673 17.350 1.00 0.00 C ATOM 592 C LEU A 43 13.627 -24.098 18.008 1.00 0.00 C ATOM 593 O LEU A 43 12.609 -24.265 17.337 1.00 0.00 O ATOM 594 CB LEU A 43 15.015 -22.146 17.286 1.00 0.00 C ATOM 595 CG LEU A 43 16.182 -21.568 16.486 1.00 0.00 C ATOM 596 CD1 LEU A 43 15.841 -20.178 15.973 1.00 0.00 C ATOM 597 CD2 LEU A 43 17.444 -21.529 17.336 1.00 0.00 C ATOM 0 H LEU A 43 14.280 -24.016 15.388 1.00 0.00 H new ATOM 0 HA LEU A 43 15.763 -24.049 17.952 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.086 -21.772 16.857 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.073 -21.762 18.304 1.00 0.00 H new ATOM 0 HG LEU A 43 16.365 -22.215 15.628 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.684 -19.783 15.406 1.00 0.00 H new ATOM 0 HD12 LEU A 43 14.964 -20.233 15.328 1.00 0.00 H new ATOM 0 HD13 LEU A 43 15.631 -19.520 16.816 1.00 0.00 H new ATOM 0 HD21 LEU A 43 18.265 -21.115 16.750 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.273 -20.905 18.213 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.700 -22.540 17.654 1.00 0.00 H new ATOM 609 N ASN A 44 13.662 -24.270 19.326 1.00 0.00 N ATOM 610 CA ASN A 44 12.477 -24.674 20.075 1.00 0.00 C ATOM 611 C ASN A 44 11.397 -23.599 20.006 1.00 0.00 C ATOM 612 O ASN A 44 11.366 -22.681 20.824 1.00 0.00 O ATOM 613 CB ASN A 44 12.843 -24.953 21.535 1.00 0.00 C ATOM 614 CG ASN A 44 12.002 -26.061 22.139 1.00 0.00 C ATOM 615 OD1 ASN A 44 11.086 -25.804 22.921 1.00 0.00 O ATOM 616 ND2 ASN A 44 12.312 -27.301 21.780 1.00 0.00 N ATOM 0 H ASN A 44 14.497 -24.136 19.897 1.00 0.00 H new ATOM 0 HA ASN A 44 12.085 -25.586 19.624 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.897 -25.225 21.597 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.714 -24.042 22.120 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.783 -28.088 22.155 1.00 0.00 H new ATOM 0 HD22 ASN A 44 13.079 -27.467 21.129 1.00 0.00 H new ATOM 623 N GLY A 45 10.510 -23.722 19.023 1.00 0.00 N ATOM 624 CA GLY A 45 9.439 -22.755 18.865 1.00 0.00 C ATOM 625 C GLY A 45 9.260 -22.318 17.425 1.00 0.00 C ATOM 626 O GLY A 45 8.218 -21.775 17.058 1.00 0.00 O ATOM 0 H GLY A 45 10.514 -24.474 18.334 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.507 -23.187 19.229 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.648 -21.882 19.483 1.00 0.00 H new ATOM 630 N PHE A 46 10.279 -22.555 16.605 1.00 0.00 N ATOM 631 CA PHE A 46 10.230 -22.180 15.197 1.00 0.00 C ATOM 632 C PHE A 46 11.370 -22.833 14.420 1.00 0.00 C ATOM 633 O PHE A 46 12.455 -23.053 14.957 1.00 0.00 O ATOM 634 CB PHE A 46 10.304 -20.659 15.049 1.00 0.00 C ATOM 635 CG PHE A 46 10.874 -19.967 16.254 1.00 0.00 C ATOM 636 CD1 PHE A 46 12.230 -20.037 16.533 1.00 0.00 C ATOM 637 CD2 PHE A 46 10.055 -19.245 17.108 1.00 0.00 C ATOM 638 CE1 PHE A 46 12.757 -19.402 17.642 1.00 0.00 C ATOM 639 CE2 PHE A 46 10.577 -18.607 18.218 1.00 0.00 C ATOM 640 CZ PHE A 46 11.930 -18.685 18.484 1.00 0.00 C ATOM 0 H PHE A 46 11.148 -23.005 16.892 1.00 0.00 H new ATOM 0 HA PHE A 46 9.284 -22.533 14.786 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.913 -20.416 14.178 1.00 0.00 H new ATOM 0 HB3 PHE A 46 9.304 -20.271 14.857 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.882 -20.594 15.877 1.00 0.00 H new ATOM 0 HD2 PHE A 46 8.996 -19.180 16.904 1.00 0.00 H new ATOM 0 HE1 PHE A 46 13.815 -19.467 17.850 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.928 -18.049 18.876 1.00 0.00 H new ATOM 0 HZ PHE A 46 12.341 -18.186 19.349 1.00 0.00 H new ATOM 650 N ALA A 47 11.114 -23.142 13.153 1.00 0.00 N ATOM 651 CA ALA A 47 12.117 -23.768 12.302 1.00 0.00 C ATOM 652 C ALA A 47 12.356 -22.948 11.039 1.00 0.00 C ATOM 653 O ALA A 47 11.475 -22.216 10.586 1.00 0.00 O ATOM 654 CB ALA A 47 11.693 -25.184 11.941 1.00 0.00 C ATOM 0 H ALA A 47 10.220 -22.969 12.694 1.00 0.00 H new ATOM 0 HA ALA A 47 13.053 -23.811 12.858 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.452 -25.640 11.305 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.581 -25.773 12.851 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.743 -25.155 11.408 1.00 0.00 H new ATOM 660 N PHE A 48 13.553 -23.072 10.476 1.00 0.00 N ATOM 661 CA PHE A 48 13.908 -22.340 9.265 1.00 0.00 C ATOM 662 C PHE A 48 14.756 -23.204 8.336 1.00 0.00 C ATOM 663 O PHE A 48 15.601 -23.977 8.788 1.00 0.00 O ATOM 664 CB PHE A 48 14.666 -21.060 9.623 1.00 0.00 C ATOM 665 CG PHE A 48 13.965 -20.214 10.647 1.00 0.00 C ATOM 666 CD1 PHE A 48 12.890 -19.418 10.288 1.00 0.00 C ATOM 667 CD2 PHE A 48 14.381 -20.216 11.969 1.00 0.00 C ATOM 668 CE1 PHE A 48 12.244 -18.638 11.229 1.00 0.00 C ATOM 669 CE2 PHE A 48 13.739 -19.439 12.914 1.00 0.00 C ATOM 670 CZ PHE A 48 12.668 -18.650 12.543 1.00 0.00 C ATOM 0 H PHE A 48 14.294 -23.672 10.838 1.00 0.00 H new ATOM 0 HA PHE A 48 12.987 -22.076 8.746 1.00 0.00 H new ATOM 0 HB2 PHE A 48 15.654 -21.326 9.998 1.00 0.00 H new ATOM 0 HB3 PHE A 48 14.816 -20.471 8.718 1.00 0.00 H new ATOM 0 HD1 PHE A 48 12.553 -19.407 9.262 1.00 0.00 H new ATOM 0 HD2 PHE A 48 15.217 -20.832 12.264 1.00 0.00 H new ATOM 0 HE1 PHE A 48 11.408 -18.020 10.937 1.00 0.00 H new ATOM 0 HE2 PHE A 48 14.074 -19.449 13.941 1.00 0.00 H new ATOM 0 HZ PHE A 48 12.163 -18.043 13.280 1.00 0.00 H new ATOM 680 N VAL A 49 14.523 -23.067 7.035 1.00 0.00 N ATOM 681 CA VAL A 49 15.265 -23.834 6.041 1.00 0.00 C ATOM 682 C VAL A 49 15.593 -22.980 4.821 1.00 0.00 C ATOM 683 O VAL A 49 14.696 -22.507 4.124 1.00 0.00 O ATOM 684 CB VAL A 49 14.476 -25.076 5.587 1.00 0.00 C ATOM 685 CG1 VAL A 49 15.289 -25.892 4.593 1.00 0.00 C ATOM 686 CG2 VAL A 49 14.080 -25.923 6.787 1.00 0.00 C ATOM 0 H VAL A 49 13.827 -22.432 6.644 1.00 0.00 H new ATOM 0 HA VAL A 49 16.192 -24.155 6.516 1.00 0.00 H new ATOM 0 HB VAL A 49 13.565 -24.744 5.089 1.00 0.00 H new ATOM 0 HG11 VAL A 49 14.715 -26.765 4.284 1.00 0.00 H new ATOM 0 HG12 VAL A 49 15.517 -25.280 3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 49 16.218 -26.216 5.062 1.00 0.00 H new ATOM 0 HG21 VAL A 49 13.523 -26.797 6.448 1.00 0.00 H new ATOM 0 HG22 VAL A 49 14.977 -26.247 7.316 1.00 0.00 H new ATOM 0 HG23 VAL A 49 13.456 -25.333 7.459 1.00 0.00 H new ATOM 696 N GLU A 50 16.884 -22.788 4.569 1.00 0.00 N ATOM 697 CA GLU A 50 17.330 -21.991 3.433 1.00 0.00 C ATOM 698 C GLU A 50 17.841 -22.886 2.307 1.00 0.00 C ATOM 699 O GLU A 50 18.892 -23.515 2.428 1.00 0.00 O ATOM 700 CB GLU A 50 18.429 -21.018 3.864 1.00 0.00 C ATOM 701 CG GLU A 50 18.985 -20.183 2.723 1.00 0.00 C ATOM 702 CD GLU A 50 19.448 -18.811 3.175 1.00 0.00 C ATOM 703 OE1 GLU A 50 19.910 -18.693 4.329 1.00 0.00 O ATOM 704 OE2 GLU A 50 19.348 -17.857 2.375 1.00 0.00 O ATOM 0 H GLU A 50 17.639 -23.174 5.136 1.00 0.00 H new ATOM 0 HA GLU A 50 16.476 -21.423 3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 50 18.033 -20.352 4.631 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.243 -21.581 4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.821 -20.712 2.265 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.220 -20.069 1.955 1.00 0.00 H new ATOM 711 N PHE A 51 17.088 -22.938 1.213 1.00 0.00 N ATOM 712 CA PHE A 51 17.463 -23.757 0.066 1.00 0.00 C ATOM 713 C PHE A 51 18.493 -23.039 -0.801 1.00 0.00 C ATOM 714 O PHE A 51 18.459 -21.817 -0.939 1.00 0.00 O ATOM 715 CB PHE A 51 16.227 -24.099 -0.769 1.00 0.00 C ATOM 716 CG PHE A 51 15.531 -25.353 -0.323 1.00 0.00 C ATOM 717 CD1 PHE A 51 16.098 -26.595 -0.553 1.00 0.00 C ATOM 718 CD2 PHE A 51 14.309 -25.289 0.327 1.00 0.00 C ATOM 719 CE1 PHE A 51 15.459 -27.751 -0.145 1.00 0.00 C ATOM 720 CE2 PHE A 51 13.665 -26.441 0.739 1.00 0.00 C ATOM 721 CZ PHE A 51 14.242 -27.673 0.503 1.00 0.00 C ATOM 0 H PHE A 51 16.215 -22.423 1.097 1.00 0.00 H new ATOM 0 HA PHE A 51 17.908 -24.679 0.439 1.00 0.00 H new ATOM 0 HB2 PHE A 51 15.525 -23.267 -0.722 1.00 0.00 H new ATOM 0 HB3 PHE A 51 16.522 -24.208 -1.813 1.00 0.00 H new ATOM 0 HD1 PHE A 51 17.051 -26.661 -1.057 1.00 0.00 H new ATOM 0 HD2 PHE A 51 13.854 -24.328 0.514 1.00 0.00 H new ATOM 0 HE1 PHE A 51 15.911 -28.714 -0.333 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.713 -26.377 1.244 1.00 0.00 H new ATOM 0 HZ PHE A 51 13.742 -28.575 0.825 1.00 0.00 H new ATOM 731 N GLU A 52 19.409 -23.809 -1.381 1.00 0.00 N ATOM 732 CA GLU A 52 20.450 -23.246 -2.233 1.00 0.00 C ATOM 733 C GLU A 52 19.852 -22.663 -3.510 1.00 0.00 C ATOM 734 O GLU A 52 20.531 -21.968 -4.264 1.00 0.00 O ATOM 735 CB GLU A 52 21.485 -24.316 -2.585 1.00 0.00 C ATOM 736 CG GLU A 52 22.568 -23.828 -3.532 1.00 0.00 C ATOM 737 CD GLU A 52 23.655 -24.860 -3.758 1.00 0.00 C ATOM 738 OE1 GLU A 52 23.343 -25.944 -4.295 1.00 0.00 O ATOM 739 OE2 GLU A 52 24.819 -24.584 -3.399 1.00 0.00 O ATOM 0 H GLU A 52 19.451 -24.823 -1.276 1.00 0.00 H new ATOM 0 HA GLU A 52 20.940 -22.443 -1.682 1.00 0.00 H new ATOM 0 HB2 GLU A 52 21.951 -24.674 -1.667 1.00 0.00 H new ATOM 0 HB3 GLU A 52 20.976 -25.167 -3.037 1.00 0.00 H new ATOM 0 HG2 GLU A 52 22.117 -23.566 -4.489 1.00 0.00 H new ATOM 0 HG3 GLU A 52 23.014 -22.918 -3.130 1.00 0.00 H new ATOM 746 N GLU A 53 18.575 -22.952 -3.745 1.00 0.00 N ATOM 747 CA GLU A 53 17.886 -22.457 -4.931 1.00 0.00 C ATOM 748 C GLU A 53 16.504 -21.920 -4.572 1.00 0.00 C ATOM 749 O GLU A 53 15.709 -22.604 -3.928 1.00 0.00 O ATOM 750 CB GLU A 53 17.759 -23.568 -5.975 1.00 0.00 C ATOM 751 CG GLU A 53 18.995 -23.732 -6.843 1.00 0.00 C ATOM 752 CD GLU A 53 18.719 -24.521 -8.108 1.00 0.00 C ATOM 753 OE1 GLU A 53 18.208 -23.924 -9.079 1.00 0.00 O ATOM 754 OE2 GLU A 53 19.013 -25.734 -8.127 1.00 0.00 O ATOM 0 H GLU A 53 17.998 -23.526 -3.130 1.00 0.00 H new ATOM 0 HA GLU A 53 18.476 -21.642 -5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 53 17.554 -24.511 -5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.902 -23.358 -6.614 1.00 0.00 H new ATOM 0 HG2 GLU A 53 19.380 -22.748 -7.110 1.00 0.00 H new ATOM 0 HG3 GLU A 53 19.774 -24.234 -6.269 1.00 0.00 H new ATOM 761 N ALA A 54 16.225 -20.691 -4.994 1.00 0.00 N ATOM 762 CA ALA A 54 14.939 -20.062 -4.719 1.00 0.00 C ATOM 763 C ALA A 54 13.785 -20.958 -5.158 1.00 0.00 C ATOM 764 O ALA A 54 12.803 -21.119 -4.433 1.00 0.00 O ATOM 765 CB ALA A 54 14.853 -18.711 -5.413 1.00 0.00 C ATOM 0 H ALA A 54 16.873 -20.111 -5.528 1.00 0.00 H new ATOM 0 HA ALA A 54 14.859 -19.911 -3.642 1.00 0.00 H new ATOM 0 HB1 ALA A 54 13.887 -18.253 -5.199 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.651 -18.063 -5.049 1.00 0.00 H new ATOM 0 HB3 ALA A 54 14.959 -18.847 -6.489 1.00 0.00 H new ATOM 771 N GLU A 55 13.911 -21.537 -6.348 1.00 0.00 N ATOM 772 CA GLU A 55 12.877 -22.415 -6.882 1.00 0.00 C ATOM 773 C GLU A 55 12.562 -23.544 -5.904 1.00 0.00 C ATOM 774 O GLU A 55 11.404 -23.775 -5.558 1.00 0.00 O ATOM 775 CB GLU A 55 13.316 -22.999 -8.227 1.00 0.00 C ATOM 776 CG GLU A 55 12.235 -23.810 -8.921 1.00 0.00 C ATOM 777 CD GLU A 55 12.799 -24.786 -9.935 1.00 0.00 C ATOM 778 OE1 GLU A 55 14.025 -25.021 -9.915 1.00 0.00 O ATOM 779 OE2 GLU A 55 12.013 -25.315 -10.749 1.00 0.00 O ATOM 0 H GLU A 55 14.718 -21.414 -6.960 1.00 0.00 H new ATOM 0 HA GLU A 55 11.974 -21.822 -7.029 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.625 -22.185 -8.883 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.189 -23.632 -8.071 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.662 -24.359 -8.174 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.542 -23.133 -9.420 1.00 0.00 H new ATOM 786 N SER A 56 13.603 -24.244 -5.463 1.00 0.00 N ATOM 787 CA SER A 56 13.439 -25.351 -4.529 1.00 0.00 C ATOM 788 C SER A 56 12.718 -24.893 -3.264 1.00 0.00 C ATOM 789 O SER A 56 11.899 -25.621 -2.705 1.00 0.00 O ATOM 790 CB SER A 56 14.800 -25.947 -4.166 1.00 0.00 C ATOM 791 OG SER A 56 15.288 -26.776 -5.206 1.00 0.00 O ATOM 0 H SER A 56 14.569 -24.064 -5.738 1.00 0.00 H new ATOM 0 HA SER A 56 12.834 -26.116 -5.015 1.00 0.00 H new ATOM 0 HB2 SER A 56 15.512 -25.145 -3.972 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.713 -26.525 -3.246 1.00 0.00 H new ATOM 0 HG SER A 56 15.000 -27.700 -5.050 1.00 0.00 H new ATOM 797 N ALA A 57 13.030 -23.680 -2.820 1.00 0.00 N ATOM 798 CA ALA A 57 12.412 -23.122 -1.623 1.00 0.00 C ATOM 799 C ALA A 57 10.942 -22.797 -1.866 1.00 0.00 C ATOM 800 O ALA A 57 10.069 -23.232 -1.116 1.00 0.00 O ATOM 801 CB ALA A 57 13.163 -21.878 -1.173 1.00 0.00 C ATOM 0 H ALA A 57 13.707 -23.065 -3.271 1.00 0.00 H new ATOM 0 HA ALA A 57 12.466 -23.871 -0.833 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.691 -21.472 -0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.198 -22.138 -0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.139 -21.131 -1.967 1.00 0.00 H new ATOM 807 N ALA A 58 10.677 -22.028 -2.917 1.00 0.00 N ATOM 808 CA ALA A 58 9.312 -21.645 -3.258 1.00 0.00 C ATOM 809 C ALA A 58 8.410 -22.870 -3.370 1.00 0.00 C ATOM 810 O ALA A 58 7.230 -22.818 -3.024 1.00 0.00 O ATOM 811 CB ALA A 58 9.295 -20.854 -4.558 1.00 0.00 C ATOM 0 H ALA A 58 11.389 -21.658 -3.547 1.00 0.00 H new ATOM 0 HA ALA A 58 8.927 -21.014 -2.457 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.270 -20.575 -4.801 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.899 -19.954 -4.444 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.704 -21.466 -5.362 1.00 0.00 H new ATOM 817 N LYS A 59 8.973 -23.971 -3.856 1.00 0.00 N ATOM 818 CA LYS A 59 8.221 -25.210 -4.013 1.00 0.00 C ATOM 819 C LYS A 59 7.972 -25.871 -2.661 1.00 0.00 C ATOM 820 O LYS A 59 6.831 -26.162 -2.303 1.00 0.00 O ATOM 821 CB LYS A 59 8.973 -26.174 -4.933 1.00 0.00 C ATOM 822 CG LYS A 59 8.950 -25.762 -6.395 1.00 0.00 C ATOM 823 CD LYS A 59 7.538 -25.774 -6.956 1.00 0.00 C ATOM 824 CE LYS A 59 7.532 -25.526 -8.457 1.00 0.00 C ATOM 825 NZ LYS A 59 8.149 -26.655 -9.208 1.00 0.00 N ATOM 0 H LYS A 59 9.948 -24.030 -4.148 1.00 0.00 H new ATOM 0 HA LYS A 59 7.258 -24.966 -4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.009 -26.247 -4.601 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.537 -27.169 -4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.375 -24.764 -6.499 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.578 -26.438 -6.974 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.069 -26.735 -6.743 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.941 -25.010 -6.458 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.507 -25.381 -8.797 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.074 -24.606 -8.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.905 -26.576 -10.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.183 -26.621 -9.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.791 -27.557 -8.834 1.00 0.00 H new ATOM 839 N ALA A 60 9.047 -26.104 -1.915 1.00 0.00 N ATOM 840 CA ALA A 60 8.944 -26.727 -0.601 1.00 0.00 C ATOM 841 C ALA A 60 7.929 -25.999 0.274 1.00 0.00 C ATOM 842 O ALA A 60 7.258 -26.613 1.104 1.00 0.00 O ATOM 843 CB ALA A 60 10.305 -26.755 0.078 1.00 0.00 C ATOM 0 H ALA A 60 9.999 -25.871 -2.198 1.00 0.00 H new ATOM 0 HA ALA A 60 8.598 -27.751 -0.738 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.213 -27.223 1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.004 -27.326 -0.532 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.674 -25.736 0.195 1.00 0.00 H new ATOM 849 N ILE A 61 7.824 -24.688 0.084 1.00 0.00 N ATOM 850 CA ILE A 61 6.891 -23.877 0.856 1.00 0.00 C ATOM 851 C ILE A 61 5.449 -24.295 0.590 1.00 0.00 C ATOM 852 O ILE A 61 4.628 -24.347 1.505 1.00 0.00 O ATOM 853 CB ILE A 61 7.047 -22.379 0.535 1.00 0.00 C ATOM 854 CG1 ILE A 61 8.425 -21.882 0.977 1.00 0.00 C ATOM 855 CG2 ILE A 61 5.946 -21.575 1.210 1.00 0.00 C ATOM 856 CD1 ILE A 61 8.936 -20.714 0.162 1.00 0.00 C ATOM 0 H ILE A 61 8.374 -24.165 -0.598 1.00 0.00 H new ATOM 0 HA ILE A 61 7.126 -24.041 1.908 1.00 0.00 H new ATOM 0 HB ILE A 61 6.960 -22.242 -0.543 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.378 -21.590 2.026 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.138 -22.703 0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.070 -20.518 0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.975 -21.916 0.851 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.003 -21.714 2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.917 -20.415 0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.016 -21.008 -0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.244 -19.877 0.252 1.00 0.00 H new ATOM 868 N GLU A 62 5.148 -24.593 -0.671 1.00 0.00 N ATOM 869 CA GLU A 62 3.804 -25.008 -1.057 1.00 0.00 C ATOM 870 C GLU A 62 3.622 -26.511 -0.866 1.00 0.00 C ATOM 871 O GLU A 62 2.501 -26.997 -0.724 1.00 0.00 O ATOM 872 CB GLU A 62 3.529 -24.630 -2.514 1.00 0.00 C ATOM 873 CG GLU A 62 2.615 -25.607 -3.234 1.00 0.00 C ATOM 874 CD GLU A 62 2.069 -25.047 -4.533 1.00 0.00 C ATOM 875 OE1 GLU A 62 2.190 -23.823 -4.749 1.00 0.00 O ATOM 876 OE2 GLU A 62 1.521 -25.833 -5.333 1.00 0.00 O ATOM 0 H GLU A 62 5.816 -24.555 -1.441 1.00 0.00 H new ATOM 0 HA GLU A 62 3.093 -24.490 -0.414 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.081 -23.637 -2.545 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.476 -24.569 -3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.163 -26.526 -3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.785 -25.872 -2.579 1.00 0.00 H new ATOM 883 N GLU A 63 4.734 -27.240 -0.865 1.00 0.00 N ATOM 884 CA GLU A 63 4.697 -28.687 -0.693 1.00 0.00 C ATOM 885 C GLU A 63 4.558 -29.057 0.781 1.00 0.00 C ATOM 886 O GLU A 63 3.548 -29.624 1.198 1.00 0.00 O ATOM 887 CB GLU A 63 5.961 -29.325 -1.273 1.00 0.00 C ATOM 888 CG GLU A 63 6.172 -29.025 -2.748 1.00 0.00 C ATOM 889 CD GLU A 63 5.630 -30.118 -3.648 1.00 0.00 C ATOM 890 OE1 GLU A 63 4.583 -30.705 -3.303 1.00 0.00 O ATOM 891 OE2 GLU A 63 6.251 -30.386 -4.697 1.00 0.00 O ATOM 0 H GLU A 63 5.670 -26.852 -0.981 1.00 0.00 H new ATOM 0 HA GLU A 63 3.828 -29.068 -1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.826 -28.972 -0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.909 -30.405 -1.134 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.687 -28.081 -2.996 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.237 -28.896 -2.940 1.00 0.00 H new ATOM 898 N VAL A 64 5.581 -28.732 1.565 1.00 0.00 N ATOM 899 CA VAL A 64 5.574 -29.029 2.993 1.00 0.00 C ATOM 900 C VAL A 64 4.328 -28.464 3.666 1.00 0.00 C ATOM 901 O VAL A 64 3.787 -29.062 4.596 1.00 0.00 O ATOM 902 CB VAL A 64 6.824 -28.459 3.690 1.00 0.00 C ATOM 903 CG1 VAL A 64 6.907 -28.956 5.126 1.00 0.00 C ATOM 904 CG2 VAL A 64 8.080 -28.828 2.916 1.00 0.00 C ATOM 0 H VAL A 64 6.425 -28.263 1.236 1.00 0.00 H new ATOM 0 HA VAL A 64 5.575 -30.115 3.091 1.00 0.00 H new ATOM 0 HB VAL A 64 6.744 -27.372 3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.796 -28.543 5.603 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.020 -28.637 5.673 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.964 -30.044 5.132 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.953 -28.417 3.423 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.169 -29.913 2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.019 -28.419 1.908 1.00 0.00 H new ATOM 914 N HIS A 65 3.877 -27.308 3.188 1.00 0.00 N ATOM 915 CA HIS A 65 2.693 -26.663 3.743 1.00 0.00 C ATOM 916 C HIS A 65 1.471 -27.568 3.617 1.00 0.00 C ATOM 917 O HIS A 65 1.128 -28.016 2.524 1.00 0.00 O ATOM 918 CB HIS A 65 2.432 -25.333 3.035 1.00 0.00 C ATOM 919 CG HIS A 65 1.118 -24.711 3.394 1.00 0.00 C ATOM 920 ND1 HIS A 65 0.013 -24.759 2.570 1.00 0.00 N ATOM 921 CD2 HIS A 65 0.734 -24.024 4.496 1.00 0.00 C ATOM 922 CE1 HIS A 65 -0.993 -24.128 3.150 1.00 0.00 C ATOM 923 NE2 HIS A 65 -0.581 -23.673 4.319 1.00 0.00 N ATOM 0 H HIS A 65 4.313 -26.800 2.419 1.00 0.00 H new ATOM 0 HA HIS A 65 2.875 -26.474 4.801 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.234 -24.637 3.281 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.467 -25.492 1.957 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.348 -23.795 5.354 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.984 -24.005 2.738 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -1.148 -23.146 4.983 1.00 0.00 H new ATOM 931 N GLY A 66 0.817 -27.833 4.744 1.00 0.00 N ATOM 932 CA GLY A 66 -0.358 -28.683 4.738 1.00 0.00 C ATOM 933 C GLY A 66 -0.018 -30.144 4.957 1.00 0.00 C ATOM 934 O GLY A 66 -0.886 -31.012 4.868 1.00 0.00 O ATOM 0 H GLY A 66 1.081 -27.474 5.661 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.046 -28.353 5.517 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.877 -28.573 3.786 1.00 0.00 H new ATOM 938 N LYS A 67 1.250 -30.418 5.243 1.00 0.00 N ATOM 939 CA LYS A 67 1.705 -31.784 5.475 1.00 0.00 C ATOM 940 C LYS A 67 1.330 -32.251 6.878 1.00 0.00 C ATOM 941 O LYS A 67 0.665 -31.533 7.625 1.00 0.00 O ATOM 942 CB LYS A 67 3.220 -31.878 5.283 1.00 0.00 C ATOM 943 CG LYS A 67 3.653 -31.830 3.828 1.00 0.00 C ATOM 944 CD LYS A 67 3.203 -33.069 3.071 1.00 0.00 C ATOM 945 CE LYS A 67 4.335 -34.074 2.925 1.00 0.00 C ATOM 946 NZ LYS A 67 3.902 -35.294 2.189 1.00 0.00 N ATOM 0 H LYS A 67 1.982 -29.712 5.320 1.00 0.00 H new ATOM 0 HA LYS A 67 1.212 -32.433 4.751 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.698 -31.060 5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.577 -32.806 5.729 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.237 -30.941 3.353 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.738 -31.743 3.773 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.368 -33.534 3.595 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.840 -32.782 2.084 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.168 -33.609 2.398 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.700 -34.356 3.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.702 -35.954 2.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.124 -35.753 2.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.578 -35.028 1.237 1.00 0.00 H new ATOM 960 N SER A 68 1.762 -33.458 7.231 1.00 0.00 N ATOM 961 CA SER A 68 1.469 -34.021 8.543 1.00 0.00 C ATOM 962 C SER A 68 2.752 -34.451 9.248 1.00 0.00 C ATOM 963 O SER A 68 3.697 -34.917 8.612 1.00 0.00 O ATOM 964 CB SER A 68 0.523 -35.216 8.409 1.00 0.00 C ATOM 965 OG SER A 68 1.081 -36.217 7.577 1.00 0.00 O ATOM 0 H SER A 68 2.316 -34.064 6.626 1.00 0.00 H new ATOM 0 HA SER A 68 0.986 -33.249 9.143 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.316 -35.632 9.395 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.430 -34.885 7.996 1.00 0.00 H new ATOM 0 HG SER A 68 0.458 -36.970 7.509 1.00 0.00 H new ATOM 971 N PHE A 69 2.777 -34.290 10.567 1.00 0.00 N ATOM 972 CA PHE A 69 3.944 -34.660 11.360 1.00 0.00 C ATOM 973 C PHE A 69 3.641 -34.561 12.852 1.00 0.00 C ATOM 974 O PHE A 69 3.063 -33.578 13.315 1.00 0.00 O ATOM 975 CB PHE A 69 5.132 -33.762 11.009 1.00 0.00 C ATOM 976 CG PHE A 69 6.453 -34.307 11.470 1.00 0.00 C ATOM 977 CD1 PHE A 69 6.907 -34.064 12.756 1.00 0.00 C ATOM 978 CD2 PHE A 69 7.240 -35.064 10.618 1.00 0.00 C ATOM 979 CE1 PHE A 69 8.122 -34.564 13.183 1.00 0.00 C ATOM 980 CE2 PHE A 69 8.457 -35.567 11.039 1.00 0.00 C ATOM 981 CZ PHE A 69 8.898 -35.318 12.323 1.00 0.00 C ATOM 0 H PHE A 69 2.003 -33.906 11.109 1.00 0.00 H new ATOM 0 HA PHE A 69 4.198 -35.694 11.126 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.164 -33.621 9.929 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.978 -32.779 11.455 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.304 -33.477 13.433 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.899 -35.264 9.613 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.465 -34.366 14.188 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.062 -36.154 10.364 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.847 -35.712 12.655 1.00 0.00 H new ATOM 991 N ALA A 70 4.035 -35.586 13.600 1.00 0.00 N ATOM 992 CA ALA A 70 3.807 -35.615 15.039 1.00 0.00 C ATOM 993 C ALA A 70 2.319 -35.534 15.361 1.00 0.00 C ATOM 994 O ALA A 70 1.918 -34.895 16.333 1.00 0.00 O ATOM 995 CB ALA A 70 4.558 -34.477 15.715 1.00 0.00 C ATOM 0 H ALA A 70 4.514 -36.408 13.233 1.00 0.00 H new ATOM 0 HA ALA A 70 4.184 -36.563 15.423 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.379 -34.511 16.790 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.626 -34.580 15.522 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.208 -33.524 15.318 1.00 0.00 H new ATOM 1001 N ASN A 71 1.504 -36.186 14.538 1.00 0.00 N ATOM 1002 CA ASN A 71 0.059 -36.186 14.736 1.00 0.00 C ATOM 1003 C ASN A 71 -0.495 -34.765 14.702 1.00 0.00 C ATOM 1004 O ASN A 71 -1.486 -34.459 15.364 1.00 0.00 O ATOM 1005 CB ASN A 71 -0.295 -36.852 16.067 1.00 0.00 C ATOM 1006 CG ASN A 71 -0.356 -38.363 15.960 1.00 0.00 C ATOM 1007 OD1 ASN A 71 -1.435 -38.946 15.851 1.00 0.00 O ATOM 1008 ND2 ASN A 71 0.806 -39.006 15.991 1.00 0.00 N ATOM 0 H ASN A 71 1.819 -36.721 13.728 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.394 -36.753 13.922 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.445 -36.573 16.817 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.258 -36.476 16.413 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.828 -40.024 15.923 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.676 -38.482 16.083 1.00 0.00 H new ATOM 1015 N GLN A 72 0.152 -33.902 13.925 1.00 0.00 N ATOM 1016 CA GLN A 72 -0.277 -32.514 13.805 1.00 0.00 C ATOM 1017 C GLN A 72 0.033 -31.967 12.415 1.00 0.00 C ATOM 1018 O GLN A 72 1.011 -32.352 11.774 1.00 0.00 O ATOM 1019 CB GLN A 72 0.407 -31.653 14.869 1.00 0.00 C ATOM 1020 CG GLN A 72 0.129 -32.110 16.291 1.00 0.00 C ATOM 1021 CD GLN A 72 0.904 -31.313 17.322 1.00 0.00 C ATOM 1022 OE1 GLN A 72 0.440 -30.279 17.802 1.00 0.00 O ATOM 1023 NE2 GLN A 72 2.094 -31.792 17.669 1.00 0.00 N ATOM 0 H GLN A 72 0.974 -34.139 13.370 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.356 -32.479 13.957 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.483 -31.664 14.697 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.076 -30.620 14.757 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.938 -32.021 16.495 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.385 -33.165 16.386 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.440 -32.653 17.246 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.661 -31.299 18.358 1.00 0.00 H new ATOM 1032 N PRO A 73 -0.818 -31.047 11.937 1.00 0.00 N ATOM 1033 CA PRO A 73 -0.656 -30.427 10.619 1.00 0.00 C ATOM 1034 C PRO A 73 0.544 -29.488 10.564 1.00 0.00 C ATOM 1035 O PRO A 73 0.687 -28.597 11.402 1.00 0.00 O ATOM 1036 CB PRO A 73 -1.958 -29.644 10.432 1.00 0.00 C ATOM 1037 CG PRO A 73 -2.432 -29.363 11.816 1.00 0.00 C ATOM 1038 CD PRO A 73 -2.005 -30.541 12.647 1.00 0.00 C ATOM 0 HA PRO A 73 -0.473 -31.167 9.840 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.789 -28.722 9.876 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.692 -30.224 9.872 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.998 -28.439 12.197 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.515 -29.240 11.840 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.767 -30.247 13.669 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.789 -31.296 12.707 1.00 0.00 H new ATOM 1046 N LEU A 74 1.404 -29.691 9.571 1.00 0.00 N ATOM 1047 CA LEU A 74 2.592 -28.861 9.406 1.00 0.00 C ATOM 1048 C LEU A 74 2.257 -27.573 8.662 1.00 0.00 C ATOM 1049 O LEU A 74 1.220 -27.476 8.006 1.00 0.00 O ATOM 1050 CB LEU A 74 3.676 -29.633 8.652 1.00 0.00 C ATOM 1051 CG LEU A 74 4.513 -30.603 9.487 1.00 0.00 C ATOM 1052 CD1 LEU A 74 5.575 -31.269 8.626 1.00 0.00 C ATOM 1053 CD2 LEU A 74 5.153 -29.881 10.663 1.00 0.00 C ATOM 0 H LEU A 74 1.300 -30.423 8.868 1.00 0.00 H new ATOM 0 HA LEU A 74 2.964 -28.600 10.397 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.201 -30.194 7.847 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.348 -28.913 8.185 1.00 0.00 H new ATOM 0 HG LEU A 74 3.853 -31.377 9.878 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.161 -31.956 9.237 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.095 -31.821 7.818 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.232 -30.508 8.205 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.744 -30.587 11.245 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.799 -29.085 10.293 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.375 -29.453 11.294 1.00 0.00 H new ATOM 1065 N GLU A 75 3.143 -26.587 8.767 1.00 0.00 N ATOM 1066 CA GLU A 75 2.941 -25.305 8.101 1.00 0.00 C ATOM 1067 C GLU A 75 4.277 -24.647 7.771 1.00 0.00 C ATOM 1068 O GLU A 75 5.150 -24.522 8.630 1.00 0.00 O ATOM 1069 CB GLU A 75 2.105 -24.374 8.982 1.00 0.00 C ATOM 1070 CG GLU A 75 1.973 -22.966 8.426 1.00 0.00 C ATOM 1071 CD GLU A 75 0.822 -22.199 9.048 1.00 0.00 C ATOM 1072 OE1 GLU A 75 1.042 -21.533 10.081 1.00 0.00 O ATOM 1073 OE2 GLU A 75 -0.298 -22.265 8.501 1.00 0.00 O ATOM 0 H GLU A 75 4.006 -26.651 9.306 1.00 0.00 H new ATOM 0 HA GLU A 75 2.406 -25.489 7.169 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.110 -24.801 9.106 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.556 -24.323 9.973 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.902 -22.423 8.598 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.829 -23.017 7.347 1.00 0.00 H new ATOM 1080 N VAL A 76 4.431 -24.228 6.519 1.00 0.00 N ATOM 1081 CA VAL A 76 5.660 -23.583 6.073 1.00 0.00 C ATOM 1082 C VAL A 76 5.358 -22.380 5.186 1.00 0.00 C ATOM 1083 O VAL A 76 4.457 -22.424 4.348 1.00 0.00 O ATOM 1084 CB VAL A 76 6.561 -24.564 5.301 1.00 0.00 C ATOM 1085 CG1 VAL A 76 7.970 -24.005 5.171 1.00 0.00 C ATOM 1086 CG2 VAL A 76 6.579 -25.922 5.986 1.00 0.00 C ATOM 0 H VAL A 76 3.719 -24.324 5.795 1.00 0.00 H new ATOM 0 HA VAL A 76 6.185 -23.248 6.968 1.00 0.00 H new ATOM 0 HB VAL A 76 6.153 -24.693 4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.593 -24.712 4.623 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.937 -23.057 4.634 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.391 -23.845 6.164 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.221 -26.603 5.427 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.962 -25.813 7.000 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.567 -26.325 6.022 1.00 0.00 H new ATOM 1096 N VAL A 77 6.119 -21.307 5.375 1.00 0.00 N ATOM 1097 CA VAL A 77 5.935 -20.092 4.590 1.00 0.00 C ATOM 1098 C VAL A 77 7.276 -19.455 4.241 1.00 0.00 C ATOM 1099 O VAL A 77 8.322 -19.873 4.738 1.00 0.00 O ATOM 1100 CB VAL A 77 5.071 -19.063 5.343 1.00 0.00 C ATOM 1101 CG1 VAL A 77 3.805 -19.716 5.875 1.00 0.00 C ATOM 1102 CG2 VAL A 77 5.866 -18.424 6.472 1.00 0.00 C ATOM 0 H VAL A 77 6.869 -21.254 6.065 1.00 0.00 H new ATOM 0 HA VAL A 77 5.424 -20.382 3.672 1.00 0.00 H new ATOM 0 HB VAL A 77 4.780 -18.278 4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.207 -18.974 6.404 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.228 -20.121 5.044 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.071 -20.522 6.559 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.240 -17.700 6.993 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.188 -19.195 7.172 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.740 -17.919 6.061 1.00 0.00 H new ATOM 1112 N TYR A 78 7.237 -18.441 3.383 1.00 0.00 N ATOM 1113 CA TYR A 78 8.449 -17.747 2.966 1.00 0.00 C ATOM 1114 C TYR A 78 8.990 -16.870 4.091 1.00 0.00 C ATOM 1115 O TYR A 78 8.500 -15.765 4.323 1.00 0.00 O ATOM 1116 CB TYR A 78 8.172 -16.893 1.727 1.00 0.00 C ATOM 1117 CG TYR A 78 8.845 -17.406 0.475 1.00 0.00 C ATOM 1118 CD1 TYR A 78 10.225 -17.562 0.418 1.00 0.00 C ATOM 1119 CD2 TYR A 78 8.102 -17.735 -0.652 1.00 0.00 C ATOM 1120 CE1 TYR A 78 10.845 -18.030 -0.725 1.00 0.00 C ATOM 1121 CE2 TYR A 78 8.713 -18.206 -1.799 1.00 0.00 C ATOM 1122 CZ TYR A 78 10.084 -18.351 -1.830 1.00 0.00 C ATOM 1123 OH TYR A 78 10.697 -18.818 -2.970 1.00 0.00 O ATOM 0 H TYR A 78 6.379 -18.082 2.963 1.00 0.00 H new ATOM 0 HA TYR A 78 9.201 -18.498 2.722 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.096 -16.850 1.559 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.506 -15.873 1.917 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.823 -17.313 1.282 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.028 -17.621 -0.632 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.919 -18.144 -0.753 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.120 -18.459 -2.666 1.00 0.00 H new ATOM 0 HH TYR A 78 11.514 -19.302 -2.727 1.00 0.00 H new ATOM 1133 N SER A 79 10.005 -17.372 4.787 1.00 0.00 N ATOM 1134 CA SER A 79 10.613 -16.637 5.891 1.00 0.00 C ATOM 1135 C SER A 79 10.966 -15.214 5.467 1.00 0.00 C ATOM 1136 O SER A 79 11.701 -15.006 4.502 1.00 0.00 O ATOM 1137 CB SER A 79 11.867 -17.361 6.384 1.00 0.00 C ATOM 1138 OG SER A 79 11.895 -18.702 5.927 1.00 0.00 O ATOM 0 H SER A 79 10.424 -18.284 4.606 1.00 0.00 H new ATOM 0 HA SER A 79 9.889 -16.586 6.704 1.00 0.00 H new ATOM 0 HB2 SER A 79 12.755 -16.836 6.034 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.896 -17.344 7.473 1.00 0.00 H new ATOM 0 HG SER A 79 12.707 -19.142 6.254 1.00 0.00 H new ATOM 1144 N LYS A 80 10.437 -14.238 6.197 1.00 0.00 N ATOM 1145 CA LYS A 80 10.696 -12.834 5.900 1.00 0.00 C ATOM 1146 C LYS A 80 12.183 -12.518 6.018 1.00 0.00 C ATOM 1147 O LYS A 80 12.840 -12.194 5.029 1.00 0.00 O ATOM 1148 CB LYS A 80 9.896 -11.936 6.846 1.00 0.00 C ATOM 1149 CG LYS A 80 8.391 -12.090 6.704 1.00 0.00 C ATOM 1150 CD LYS A 80 7.857 -11.287 5.530 1.00 0.00 C ATOM 1151 CE LYS A 80 6.415 -11.654 5.213 1.00 0.00 C ATOM 1152 NZ LYS A 80 5.467 -11.089 6.213 1.00 0.00 N ATOM 0 H LYS A 80 9.826 -14.393 6.999 1.00 0.00 H new ATOM 0 HA LYS A 80 10.382 -12.642 4.874 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.180 -12.161 7.874 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.165 -10.896 6.661 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.143 -13.143 6.569 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.903 -11.763 7.622 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.921 -10.223 5.757 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.480 -11.464 4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.157 -11.287 4.220 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.313 -12.739 5.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.495 -11.361 5.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.697 -11.459 7.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.546 -10.052 6.219 1.00 0.00 H new TER 1166 LYS A 80