USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 810 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 62 MET CE :methyl -172:sc= -0.0681 (180deg=-0.193) USER MOD Set 1.2: A 84 LYS NZ :NH3+ 163:sc= -0.205 (180deg=-0.751) USER MOD Set 2.1: A 11 LYS NZ :NH3+ 168:sc= 0 (180deg=0) USER MOD Set 2.2: A 15 ASN : amide:sc= -0.602 K(o=-1.1,f=-0.092) USER MOD Set 2.3: A 19 ASN : amide:sc= -0.452 K(o=-1.1,f=-2.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= 0 (180deg=-0.189) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -1.53 K(o=-1.5,f=-8.2!) USER MOD Single : A 22 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 54:sc= 0.106 USER MOD Single : A 34 ASN : amide:sc= -2.95 K(o=-3,f=-6!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.421 K(o=-0.42,f=-2.8!) USER MOD Single : A 44 TYR OH : rot 156:sc= 0.4 USER MOD Single : A 49 LYS NZ :NH3+ 141:sc= 0.00325 (180deg=-0.269) USER MOD Single : A 50 GLN : amide:sc= -0.0502 K(o=-0.05,f=-1.1) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -63:sc= 0.284 USER MOD Single : A 63 ASN : amide:sc= -0.689 K(o=-0.69,f=-4.1!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 168:sc=-0.000814 (180deg=-0.0831) USER MOD Single : A 72 ASN : amide:sc= 0.106 X(o=0.11,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -141:sc= 0.45 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.651 K(o=-0.65,f=-2.2) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 60:sc= 1.16 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 61:sc= 1.17 USER MOD Single : A 93 ASN : amide:sc= -0.389 X(o=-0.39,f=-0.22) USER MOD Single : A 96 TYR OH : rot -13:sc= 0.468 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.092 -17.853 -6.015 1.00 43.33 N ATOM 2 CA MET A 1 -2.049 -19.005 -6.910 1.00 33.11 C ATOM 3 C MET A 1 -1.503 -20.233 -6.189 1.00 60.10 C ATOM 4 O MET A 1 -0.300 -20.492 -6.209 1.00 15.24 O ATOM 5 CB MET A 1 -1.190 -18.694 -8.136 1.00 3.32 C ATOM 6 CG MET A 1 0.130 -18.021 -7.798 1.00 51.53 C ATOM 7 SD MET A 1 1.409 -18.343 -9.028 1.00 63.00 S ATOM 8 CE MET A 1 0.999 -17.122 -10.273 1.00 31.44 C ATOM 0 H1 MET A 1 -2.253 -16.988 -6.570 1.00 43.33 H new ATOM 0 H2 MET A 1 -2.865 -17.974 -5.330 1.00 43.33 H new ATOM 0 H3 MET A 1 -1.188 -17.775 -5.506 1.00 43.33 H new ATOM 0 HA MET A 1 -3.067 -19.219 -7.235 1.00 33.11 H new ATOM 0 HB2 MET A 1 -0.989 -19.621 -8.673 1.00 3.32 H new ATOM 0 HB3 MET A 1 -1.754 -18.050 -8.811 1.00 3.32 H new ATOM 0 HG2 MET A 1 -0.026 -16.945 -7.715 1.00 51.53 H new ATOM 0 HG3 MET A 1 0.472 -18.370 -6.824 1.00 51.53 H new ATOM 0 HE1 MET A 1 1.703 -17.196 -11.101 1.00 31.44 H new ATOM 0 HE2 MET A 1 -0.012 -17.301 -10.639 1.00 31.44 H new ATOM 0 HE3 MET A 1 1.056 -16.125 -9.837 1.00 31.44 H new ATOM 18 N GLY A 2 -2.395 -20.986 -5.553 1.00 24.41 N ATOM 19 CA GLY A 2 -1.981 -22.178 -4.834 1.00 53.32 C ATOM 20 C GLY A 2 -1.098 -21.860 -3.645 1.00 5.12 C ATOM 21 O GLY A 2 -0.366 -22.722 -3.156 1.00 71.02 O ATOM 0 H GLY A 2 -3.396 -20.793 -5.522 1.00 24.41 H new ATOM 0 HA2 GLY A 2 -2.864 -22.718 -4.493 1.00 53.32 H new ATOM 0 HA3 GLY A 2 -1.445 -22.841 -5.514 1.00 53.32 H new ATOM 25 N LYS A 3 -1.161 -20.618 -3.177 1.00 45.12 N ATOM 26 CA LYS A 3 -0.360 -20.187 -2.038 1.00 34.15 C ATOM 27 C LYS A 3 -1.119 -19.168 -1.194 1.00 5.14 C ATOM 28 O LYS A 3 -1.452 -18.080 -1.666 1.00 72.43 O ATOM 29 CB LYS A 3 0.963 -19.585 -2.516 1.00 14.20 C ATOM 30 CG LYS A 3 1.764 -18.921 -1.411 1.00 2.34 C ATOM 31 CD LYS A 3 2.171 -19.919 -0.339 1.00 1.24 C ATOM 32 CE LYS A 3 3.272 -20.845 -0.830 1.00 42.32 C ATOM 33 NZ LYS A 3 4.613 -20.200 -0.757 1.00 70.13 N ATOM 0 H LYS A 3 -1.760 -19.891 -3.570 1.00 45.12 H new ATOM 0 HA LYS A 3 -0.152 -21.061 -1.421 1.00 34.15 H new ATOM 0 HB2 LYS A 3 1.567 -20.371 -2.969 1.00 14.20 H new ATOM 0 HB3 LYS A 3 0.758 -18.851 -3.296 1.00 14.20 H new ATOM 0 HG2 LYS A 3 2.655 -18.457 -1.835 1.00 2.34 H new ATOM 0 HG3 LYS A 3 1.173 -18.123 -0.961 1.00 2.34 H new ATOM 0 HD2 LYS A 3 2.512 -19.384 0.547 1.00 1.24 H new ATOM 0 HD3 LYS A 3 1.304 -20.509 -0.041 1.00 1.24 H new ATOM 0 HE2 LYS A 3 3.274 -21.756 -0.232 1.00 42.32 H new ATOM 0 HE3 LYS A 3 3.066 -21.140 -1.859 1.00 42.32 H new ATOM 0 HZ1 LYS A 3 5.336 -20.863 -1.100 1.00 70.13 H new ATOM 0 HZ2 LYS A 3 4.619 -19.344 -1.348 1.00 70.13 H new ATOM 0 HZ3 LYS A 3 4.821 -19.941 0.229 1.00 70.13 H new ATOM 47 N LEU A 4 -1.388 -19.525 0.057 1.00 62.01 N ATOM 48 CA LEU A 4 -2.106 -18.640 0.968 1.00 62.11 C ATOM 49 C LEU A 4 -1.451 -17.264 1.020 1.00 4.33 C ATOM 50 O LEU A 4 -0.224 -17.147 1.024 1.00 22.52 O ATOM 51 CB LEU A 4 -2.153 -19.248 2.370 1.00 33.42 C ATOM 52 CG LEU A 4 -3.122 -20.416 2.563 1.00 50.31 C ATOM 53 CD1 LEU A 4 -3.059 -20.932 3.992 1.00 44.04 C ATOM 54 CD2 LEU A 4 -4.541 -19.995 2.209 1.00 10.22 C ATOM 0 H LEU A 4 -1.120 -20.421 0.464 1.00 62.01 H new ATOM 0 HA LEU A 4 -3.124 -18.524 0.595 1.00 62.11 H new ATOM 0 HB2 LEU A 4 -1.150 -19.587 2.631 1.00 33.42 H new ATOM 0 HB3 LEU A 4 -2.418 -18.462 3.077 1.00 33.42 H new ATOM 0 HG LEU A 4 -2.825 -21.223 1.894 1.00 50.31 H new ATOM 0 HD11 LEU A 4 -3.755 -21.762 4.110 1.00 44.04 H new ATOM 0 HD12 LEU A 4 -2.047 -21.273 4.212 1.00 44.04 H new ATOM 0 HD13 LEU A 4 -3.330 -20.131 4.680 1.00 44.04 H new ATOM 0 HD21 LEU A 4 -5.217 -20.838 2.352 1.00 10.22 H new ATOM 0 HD22 LEU A 4 -4.847 -19.171 2.853 1.00 10.22 H new ATOM 0 HD23 LEU A 4 -4.576 -19.674 1.168 1.00 10.22 H new ATOM 66 N LYS A 5 -2.275 -16.222 1.062 1.00 24.12 N ATOM 67 CA LYS A 5 -1.777 -14.853 1.119 1.00 41.44 C ATOM 68 C LYS A 5 -2.064 -14.225 2.479 1.00 44.54 C ATOM 69 O LYS A 5 -1.745 -13.060 2.714 1.00 42.23 O ATOM 70 CB LYS A 5 -2.414 -14.011 0.010 1.00 3.44 C ATOM 71 CG LYS A 5 -3.911 -14.223 -0.130 1.00 42.21 C ATOM 72 CD LYS A 5 -4.226 -15.331 -1.120 1.00 61.52 C ATOM 73 CE LYS A 5 -5.541 -15.077 -1.841 1.00 35.23 C ATOM 74 NZ LYS A 5 -6.214 -16.347 -2.233 1.00 42.43 N ATOM 0 H LYS A 5 -3.292 -16.300 1.058 1.00 24.12 H new ATOM 0 HA LYS A 5 -0.697 -14.879 0.973 1.00 41.44 H new ATOM 0 HB2 LYS A 5 -2.222 -12.957 0.210 1.00 3.44 H new ATOM 0 HB3 LYS A 5 -1.932 -14.249 -0.938 1.00 3.44 H new ATOM 0 HG2 LYS A 5 -4.337 -14.470 0.842 1.00 42.21 H new ATOM 0 HG3 LYS A 5 -4.382 -13.296 -0.458 1.00 42.21 H new ATOM 0 HD2 LYS A 5 -3.419 -15.409 -1.849 1.00 61.52 H new ATOM 0 HD3 LYS A 5 -4.276 -16.285 -0.596 1.00 61.52 H new ATOM 0 HE2 LYS A 5 -6.203 -14.499 -1.196 1.00 35.23 H new ATOM 0 HE3 LYS A 5 -5.357 -14.474 -2.730 1.00 35.23 H new ATOM 0 HZ1 LYS A 5 -7.106 -16.131 -2.721 1.00 42.43 H new ATOM 0 HZ2 LYS A 5 -5.593 -16.887 -2.869 1.00 42.43 H new ATOM 0 HZ3 LYS A 5 -6.413 -16.911 -1.382 1.00 42.43 H new ATOM 88 N TRP A 6 -2.666 -15.004 3.369 1.00 35.00 N ATOM 89 CA TRP A 6 -2.996 -14.523 4.706 1.00 21.40 C ATOM 90 C TRP A 6 -1.779 -14.586 5.622 1.00 45.20 C ATOM 91 O TRP A 6 -1.795 -15.269 6.647 1.00 12.22 O ATOM 92 CB TRP A 6 -4.140 -15.347 5.300 1.00 10.43 C ATOM 93 CG TRP A 6 -5.440 -15.166 4.576 1.00 21.11 C ATOM 94 CD1 TRP A 6 -6.007 -16.029 3.683 1.00 53.44 C ATOM 95 CD2 TRP A 6 -6.333 -14.052 4.685 1.00 62.33 C ATOM 96 NE1 TRP A 6 -7.199 -15.518 3.228 1.00 2.02 N ATOM 97 CE2 TRP A 6 -7.422 -14.308 3.829 1.00 14.24 C ATOM 98 CE3 TRP A 6 -6.320 -12.866 5.423 1.00 24.25 C ATOM 99 CZ2 TRP A 6 -8.485 -13.418 3.693 1.00 72.24 C ATOM 100 CZ3 TRP A 6 -7.375 -11.985 5.286 1.00 12.32 C ATOM 101 CH2 TRP A 6 -8.446 -12.264 4.427 1.00 44.45 C ATOM 0 H TRP A 6 -2.936 -15.971 3.190 1.00 35.00 H new ATOM 0 HA TRP A 6 -3.312 -13.483 4.623 1.00 21.40 H new ATOM 0 HB2 TRP A 6 -3.866 -16.402 5.282 1.00 10.43 H new ATOM 0 HB3 TRP A 6 -4.273 -15.070 6.346 1.00 10.43 H new ATOM 0 HD1 TRP A 6 -5.582 -16.974 3.379 1.00 53.44 H new ATOM 0 HE1 TRP A 6 -7.817 -15.967 2.552 1.00 2.02 H new ATOM 0 HE3 TRP A 6 -5.500 -12.642 6.089 1.00 24.25 H new ATOM 0 HZ2 TRP A 6 -9.311 -13.632 3.031 1.00 72.24 H new ATOM 0 HZ3 TRP A 6 -7.374 -11.065 5.851 1.00 12.32 H new ATOM 0 HH2 TRP A 6 -9.256 -11.555 4.343 1.00 44.45 H new ATOM 112 N PHE A 7 -0.723 -13.871 5.247 1.00 12.30 N ATOM 113 CA PHE A 7 0.504 -13.847 6.035 1.00 33.41 C ATOM 114 C PHE A 7 0.470 -12.716 7.059 1.00 22.13 C ATOM 115 O PHE A 7 0.932 -11.607 6.791 1.00 15.11 O ATOM 116 CB PHE A 7 1.720 -13.686 5.120 1.00 33.34 C ATOM 117 CG PHE A 7 1.957 -14.868 4.225 1.00 1.32 C ATOM 118 CD1 PHE A 7 2.030 -16.148 4.751 1.00 43.41 C ATOM 119 CD2 PHE A 7 2.106 -14.700 2.858 1.00 73.21 C ATOM 120 CE1 PHE A 7 2.251 -17.238 3.930 1.00 55.23 C ATOM 121 CE2 PHE A 7 2.325 -15.785 2.031 1.00 64.13 C ATOM 122 CZ PHE A 7 2.396 -17.056 2.568 1.00 54.44 C ATOM 0 H PHE A 7 -0.692 -13.300 4.402 1.00 12.30 H new ATOM 0 HA PHE A 7 0.583 -14.794 6.568 1.00 33.41 H new ATOM 0 HB2 PHE A 7 1.587 -12.796 4.505 1.00 33.34 H new ATOM 0 HB3 PHE A 7 2.606 -13.521 5.733 1.00 33.34 H new ATOM 0 HD1 PHE A 7 1.913 -16.296 5.814 1.00 43.41 H new ATOM 0 HD2 PHE A 7 2.050 -13.709 2.433 1.00 73.21 H new ATOM 0 HE1 PHE A 7 2.310 -18.230 4.352 1.00 55.23 H new ATOM 0 HE2 PHE A 7 2.440 -15.640 0.967 1.00 64.13 H new ATOM 0 HZ PHE A 7 2.565 -17.906 1.924 1.00 54.44 H new ATOM 132 N SER A 8 -0.081 -13.006 8.234 1.00 62.10 N ATOM 133 CA SER A 8 -0.179 -12.014 9.298 1.00 51.24 C ATOM 134 C SER A 8 1.201 -11.669 9.849 1.00 32.10 C ATOM 135 O SER A 8 1.691 -12.315 10.775 1.00 73.04 O ATOM 136 CB SER A 8 -1.077 -12.530 10.424 1.00 2.51 C ATOM 137 OG SER A 8 -1.518 -11.468 11.251 1.00 4.14 O ATOM 0 H SER A 8 -0.466 -13.920 8.473 1.00 62.10 H new ATOM 0 HA SER A 8 -0.619 -11.109 8.878 1.00 51.24 H new ATOM 0 HB2 SER A 8 -1.938 -13.046 9.999 1.00 2.51 H new ATOM 0 HB3 SER A 8 -0.532 -13.259 11.023 1.00 2.51 H new ATOM 0 HG SER A 8 -2.091 -11.823 11.962 1.00 4.14 H new ATOM 143 N GLY A 9 1.824 -10.646 9.273 1.00 55.44 N ATOM 144 CA GLY A 9 3.141 -10.232 9.717 1.00 30.34 C ATOM 145 C GLY A 9 4.205 -10.448 8.660 1.00 71.02 C ATOM 146 O GLY A 9 3.898 -10.816 7.526 1.00 13.40 O ATOM 0 H GLY A 9 1.439 -10.096 8.505 1.00 55.44 H new ATOM 0 HA2 GLY A 9 3.114 -9.177 9.990 1.00 30.34 H new ATOM 0 HA3 GLY A 9 3.409 -10.787 10.616 1.00 30.34 H new ATOM 150 N GLY A 10 5.461 -10.217 9.029 1.00 12.14 N ATOM 151 CA GLY A 10 6.555 -10.392 8.091 1.00 2.34 C ATOM 152 C GLY A 10 7.901 -10.483 8.782 1.00 52.42 C ATOM 153 O GLY A 10 8.011 -10.232 9.982 1.00 23.44 O ATOM 0 H GLY A 10 5.741 -9.912 9.961 1.00 12.14 H new ATOM 0 HA2 GLY A 10 6.388 -11.297 7.507 1.00 2.34 H new ATOM 0 HA3 GLY A 10 6.566 -9.558 7.390 1.00 2.34 H new ATOM 157 N LYS A 11 8.931 -10.842 8.022 1.00 15.24 N ATOM 158 CA LYS A 11 10.278 -10.966 8.566 1.00 31.03 C ATOM 159 C LYS A 11 10.950 -9.600 8.672 1.00 72.32 C ATOM 160 O LYS A 11 12.090 -9.493 9.121 1.00 63.34 O ATOM 161 CB LYS A 11 11.121 -11.895 7.690 1.00 14.33 C ATOM 162 CG LYS A 11 11.385 -11.344 6.300 1.00 71.04 C ATOM 163 CD LYS A 11 11.484 -12.457 5.269 1.00 52.41 C ATOM 164 CE LYS A 11 11.464 -11.907 3.851 1.00 4.35 C ATOM 165 NZ LYS A 11 10.080 -11.823 3.309 1.00 41.11 N ATOM 0 H LYS A 11 8.858 -11.052 7.027 1.00 15.24 H new ATOM 0 HA LYS A 11 10.201 -11.392 9.566 1.00 31.03 H new ATOM 0 HB2 LYS A 11 12.074 -12.082 8.185 1.00 14.33 H new ATOM 0 HB3 LYS A 11 10.614 -12.856 7.601 1.00 14.33 H new ATOM 0 HG2 LYS A 11 10.585 -10.658 6.021 1.00 71.04 H new ATOM 0 HG3 LYS A 11 12.311 -10.768 6.305 1.00 71.04 H new ATOM 0 HD2 LYS A 11 12.403 -13.021 5.428 1.00 52.41 H new ATOM 0 HD3 LYS A 11 10.655 -13.153 5.402 1.00 52.41 H new ATOM 0 HE2 LYS A 11 11.920 -10.917 3.839 1.00 4.35 H new ATOM 0 HE3 LYS A 11 12.069 -12.544 3.206 1.00 4.35 H new ATOM 0 HZ1 LYS A 11 10.084 -11.262 2.433 1.00 41.11 H new ATOM 0 HZ2 LYS A 11 9.728 -12.780 3.106 1.00 41.11 H new ATOM 0 HZ3 LYS A 11 9.460 -11.368 4.009 1.00 41.11 H new ATOM 179 N GLU A 12 10.234 -8.560 8.256 1.00 0.24 N ATOM 180 CA GLU A 12 10.762 -7.202 8.306 1.00 45.15 C ATOM 181 C GLU A 12 9.637 -6.176 8.203 1.00 64.05 C ATOM 182 O GLU A 12 8.636 -6.403 7.522 1.00 25.34 O ATOM 183 CB GLU A 12 11.772 -6.983 7.177 1.00 63.15 C ATOM 184 CG GLU A 12 13.191 -7.383 7.544 1.00 51.40 C ATOM 185 CD GLU A 12 14.231 -6.728 6.655 1.00 11.45 C ATOM 186 OE1 GLU A 12 14.055 -5.538 6.317 1.00 73.25 O ATOM 187 OE2 GLU A 12 15.218 -7.402 6.299 1.00 60.22 O ATOM 0 H GLU A 12 9.288 -8.632 7.881 1.00 0.24 H new ATOM 0 HA GLU A 12 11.264 -7.069 9.264 1.00 45.15 H new ATOM 0 HB2 GLU A 12 11.457 -7.554 6.303 1.00 63.15 H new ATOM 0 HB3 GLU A 12 11.762 -5.931 6.891 1.00 63.15 H new ATOM 0 HG2 GLU A 12 13.384 -7.112 8.582 1.00 51.40 H new ATOM 0 HG3 GLU A 12 13.289 -8.466 7.474 1.00 51.40 H new ATOM 194 N ARG A 13 9.809 -5.047 8.883 1.00 62.44 N ATOM 195 CA ARG A 13 8.808 -3.987 8.870 1.00 23.41 C ATOM 196 C ARG A 13 8.762 -3.301 7.508 1.00 0.03 C ATOM 197 O ARG A 13 7.703 -2.860 7.060 1.00 41.31 O ATOM 198 CB ARG A 13 9.110 -2.959 9.962 1.00 53.12 C ATOM 199 CG ARG A 13 10.537 -2.439 9.932 1.00 22.22 C ATOM 200 CD ARG A 13 11.304 -2.844 11.182 1.00 63.11 C ATOM 201 NE ARG A 13 12.748 -2.741 10.995 1.00 64.40 N ATOM 202 CZ ARG A 13 13.423 -1.601 11.092 1.00 63.51 C ATOM 203 NH1 ARG A 13 12.787 -0.473 11.373 1.00 11.44 N ATOM 204 NH2 ARG A 13 14.737 -1.589 10.908 1.00 22.44 N ATOM 0 H ARG A 13 10.632 -4.843 9.450 1.00 62.44 H new ATOM 0 HA ARG A 13 7.834 -4.437 9.064 1.00 23.41 H new ATOM 0 HB2 ARG A 13 8.424 -2.118 9.857 1.00 53.12 H new ATOM 0 HB3 ARG A 13 8.917 -3.409 10.936 1.00 53.12 H new ATOM 0 HG2 ARG A 13 11.048 -2.825 9.050 1.00 22.22 H new ATOM 0 HG3 ARG A 13 10.528 -1.352 9.845 1.00 22.22 H new ATOM 0 HD2 ARG A 13 11.000 -2.210 12.015 1.00 63.11 H new ATOM 0 HD3 ARG A 13 11.045 -3.868 11.450 1.00 63.11 H new ATOM 0 HE ARG A 13 13.268 -3.591 10.778 1.00 64.40 H new ATOM 0 HH11 ARG A 13 11.777 -0.479 11.515 1.00 11.44 H new ATOM 0 HH12 ARG A 13 13.307 0.401 11.447 1.00 11.44 H new ATOM 0 HH21 ARG A 13 15.230 -2.456 10.692 1.00 22.44 H new ATOM 0 HH22 ARG A 13 15.254 -0.713 10.983 1.00 22.44 H new ATOM 218 N SER A 14 9.916 -3.213 6.855 1.00 21.20 N ATOM 219 CA SER A 14 10.008 -2.576 5.547 1.00 64.32 C ATOM 220 C SER A 14 9.361 -3.445 4.473 1.00 72.01 C ATOM 221 O SER A 14 8.581 -2.959 3.654 1.00 63.45 O ATOM 222 CB SER A 14 11.471 -2.309 5.189 1.00 54.55 C ATOM 223 OG SER A 14 12.158 -1.699 6.268 1.00 24.24 O ATOM 0 H SER A 14 10.801 -3.575 7.211 1.00 21.20 H new ATOM 0 HA SER A 14 9.473 -1.627 5.594 1.00 64.32 H new ATOM 0 HB2 SER A 14 11.961 -3.246 4.926 1.00 54.55 H new ATOM 0 HB3 SER A 14 11.522 -1.665 4.311 1.00 54.55 H new ATOM 0 HG SER A 14 13.091 -1.541 6.014 1.00 24.24 H new ATOM 229 N ASN A 15 9.689 -4.733 4.484 1.00 5.15 N ATOM 230 CA ASN A 15 9.141 -5.670 3.512 1.00 52.22 C ATOM 231 C ASN A 15 7.674 -5.970 3.811 1.00 5.52 C ATOM 232 O ASN A 15 6.946 -6.467 2.954 1.00 61.43 O ATOM 233 CB ASN A 15 9.949 -6.969 3.512 1.00 30.42 C ATOM 234 CG ASN A 15 9.188 -8.124 2.889 1.00 70.10 C ATOM 235 OD1 ASN A 15 9.108 -8.240 1.666 1.00 51.02 O ATOM 236 ND2 ASN A 15 8.625 -8.984 3.729 1.00 2.24 N ATOM 0 H ASN A 15 10.332 -5.151 5.156 1.00 5.15 H new ATOM 0 HA ASN A 15 9.206 -5.210 2.526 1.00 52.22 H new ATOM 0 HB2 ASN A 15 10.880 -6.815 2.966 1.00 30.42 H new ATOM 0 HB3 ASN A 15 10.219 -7.226 4.536 1.00 30.42 H new ATOM 0 HD21 ASN A 15 8.100 -9.780 3.368 1.00 2.24 H new ATOM 0 HD22 ASN A 15 8.717 -8.848 4.736 1.00 2.24 H new ATOM 243 N GLN A 16 7.252 -5.662 5.033 1.00 11.23 N ATOM 244 CA GLN A 16 5.873 -5.898 5.446 1.00 52.12 C ATOM 245 C GLN A 16 4.899 -5.144 4.546 1.00 2.11 C ATOM 246 O GLN A 16 4.025 -5.744 3.922 1.00 44.14 O ATOM 247 CB GLN A 16 5.675 -5.474 6.902 1.00 52.03 C ATOM 248 CG GLN A 16 4.267 -5.720 7.421 1.00 44.34 C ATOM 249 CD GLN A 16 4.151 -7.017 8.198 1.00 15.04 C ATOM 250 OE1 GLN A 16 3.298 -7.855 7.905 1.00 21.34 O ATOM 251 NE2 GLN A 16 5.010 -7.187 9.196 1.00 34.43 N ATOM 0 H GLN A 16 7.844 -5.249 5.754 1.00 11.23 H new ATOM 0 HA GLN A 16 5.670 -6.965 5.356 1.00 52.12 H new ATOM 0 HB2 GLN A 16 6.384 -6.015 7.529 1.00 52.03 H new ATOM 0 HB3 GLN A 16 5.909 -4.414 6.998 1.00 52.03 H new ATOM 0 HG2 GLN A 16 3.969 -4.889 8.061 1.00 44.34 H new ATOM 0 HG3 GLN A 16 3.572 -5.740 6.581 1.00 44.34 H new ATOM 0 HE21 GLN A 16 5.700 -6.465 9.403 1.00 34.43 H new ATOM 0 HE22 GLN A 16 4.979 -8.039 9.756 1.00 34.43 H new ATOM 260 N ALA A 17 5.056 -3.826 4.487 1.00 51.43 N ATOM 261 CA ALA A 17 4.191 -2.990 3.662 1.00 42.12 C ATOM 262 C ALA A 17 4.087 -3.540 2.244 1.00 60.43 C ATOM 263 O ALA A 17 2.990 -3.686 1.705 1.00 43.21 O ATOM 264 CB ALA A 17 4.707 -1.559 3.639 1.00 40.32 C ATOM 0 H ALA A 17 5.773 -3.314 5.000 1.00 51.43 H new ATOM 0 HA ALA A 17 3.193 -2.998 4.101 1.00 42.12 H new ATOM 0 HB1 ALA A 17 4.052 -0.946 3.020 1.00 40.32 H new ATOM 0 HB2 ALA A 17 4.723 -1.162 4.654 1.00 40.32 H new ATOM 0 HB3 ALA A 17 5.716 -1.543 3.227 1.00 40.32 H new ATOM 270 N GLU A 18 5.234 -3.843 1.645 1.00 40.20 N ATOM 271 CA GLU A 18 5.270 -4.375 0.288 1.00 24.22 C ATOM 272 C GLU A 18 4.397 -5.620 0.168 1.00 31.25 C ATOM 273 O GLU A 18 3.640 -5.771 -0.789 1.00 51.01 O ATOM 274 CB GLU A 18 6.708 -4.707 -0.116 1.00 50.40 C ATOM 275 CG GLU A 18 7.368 -3.628 -0.958 1.00 2.44 C ATOM 276 CD GLU A 18 8.825 -3.928 -1.254 1.00 51.12 C ATOM 277 OE1 GLU A 18 9.666 -3.737 -0.350 1.00 71.31 O ATOM 278 OE2 GLU A 18 9.124 -4.355 -2.389 1.00 23.14 O ATOM 0 H GLU A 18 6.151 -3.729 2.078 1.00 40.20 H new ATOM 0 HA GLU A 18 4.878 -3.611 -0.384 1.00 24.22 H new ATOM 0 HB2 GLU A 18 7.301 -4.868 0.784 1.00 50.40 H new ATOM 0 HB3 GLU A 18 6.713 -5.644 -0.673 1.00 50.40 H new ATOM 0 HG2 GLU A 18 6.825 -3.522 -1.897 1.00 2.44 H new ATOM 0 HG3 GLU A 18 7.296 -2.672 -0.439 1.00 2.44 H new ATOM 285 N ASN A 19 4.509 -6.510 1.150 1.00 74.23 N ATOM 286 CA ASN A 19 3.730 -7.744 1.155 1.00 73.10 C ATOM 287 C ASN A 19 2.242 -7.447 1.311 1.00 61.32 C ATOM 288 O ASN A 19 1.406 -8.029 0.618 1.00 23.20 O ATOM 289 CB ASN A 19 4.200 -8.663 2.284 1.00 10.30 C ATOM 290 CG ASN A 19 5.325 -9.583 1.851 1.00 12.45 C ATOM 291 OD1 ASN A 19 5.688 -9.626 0.675 1.00 22.35 O ATOM 292 ND2 ASN A 19 5.882 -10.323 2.801 1.00 23.21 N ATOM 0 H ASN A 19 5.131 -6.400 1.951 1.00 74.23 H new ATOM 0 HA ASN A 19 3.884 -8.246 0.200 1.00 73.10 H new ATOM 0 HB2 ASN A 19 4.534 -8.057 3.127 1.00 10.30 H new ATOM 0 HB3 ASN A 19 3.360 -9.262 2.635 1.00 10.30 H new ATOM 0 HD21 ASN A 19 6.644 -10.961 2.570 1.00 23.21 H new ATOM 0 HD22 ASN A 19 5.548 -10.254 3.762 1.00 23.21 H new ATOM 299 N ILE A 20 1.918 -6.538 2.225 1.00 71.14 N ATOM 300 CA ILE A 20 0.531 -6.163 2.470 1.00 22.22 C ATOM 301 C ILE A 20 -0.122 -5.614 1.207 1.00 50.51 C ATOM 302 O ILE A 20 -1.125 -6.147 0.732 1.00 55.12 O ATOM 303 CB ILE A 20 0.423 -5.112 3.590 1.00 32.43 C ATOM 304 CG1 ILE A 20 1.001 -5.663 4.895 1.00 11.01 C ATOM 305 CG2 ILE A 20 -1.027 -4.691 3.784 1.00 73.44 C ATOM 306 CD1 ILE A 20 1.336 -4.591 5.908 1.00 2.12 C ATOM 0 H ILE A 20 2.597 -6.048 2.808 1.00 71.14 H new ATOM 0 HA ILE A 20 0.009 -7.068 2.780 1.00 22.22 H new ATOM 0 HB ILE A 20 1.001 -4.234 3.300 1.00 32.43 H new ATOM 0 HG12 ILE A 20 0.285 -6.357 5.336 1.00 11.01 H new ATOM 0 HG13 ILE A 20 1.902 -6.234 4.671 1.00 11.01 H new ATOM 0 HG21 ILE A 20 -1.087 -3.948 4.579 1.00 73.44 H new ATOM 0 HG22 ILE A 20 -1.409 -4.263 2.857 1.00 73.44 H new ATOM 0 HG23 ILE A 20 -1.625 -5.561 4.055 1.00 73.44 H new ATOM 0 HD11 ILE A 20 1.741 -5.054 6.808 1.00 2.12 H new ATOM 0 HD12 ILE A 20 2.075 -3.910 5.486 1.00 2.12 H new ATOM 0 HD13 ILE A 20 0.433 -4.035 6.161 1.00 2.12 H new ATOM 318 N ILE A 21 0.455 -4.545 0.666 1.00 63.14 N ATOM 319 CA ILE A 21 -0.069 -3.925 -0.544 1.00 1.11 C ATOM 320 C ILE A 21 -0.296 -4.962 -1.639 1.00 73.23 C ATOM 321 O ILE A 21 -1.325 -4.954 -2.315 1.00 15.12 O ATOM 322 CB ILE A 21 0.880 -2.835 -1.074 1.00 41.21 C ATOM 323 CG1 ILE A 21 1.075 -1.741 -0.021 1.00 63.34 C ATOM 324 CG2 ILE A 21 0.338 -2.242 -2.367 1.00 14.24 C ATOM 325 CD1 ILE A 21 2.153 -0.743 -0.379 1.00 42.52 C ATOM 0 H ILE A 21 1.285 -4.091 1.047 1.00 63.14 H new ATOM 0 HA ILE A 21 -1.022 -3.467 -0.277 1.00 1.11 H new ATOM 0 HB ILE A 21 1.849 -3.289 -1.283 1.00 41.21 H new ATOM 0 HG12 ILE A 21 0.133 -1.211 0.119 1.00 63.34 H new ATOM 0 HG13 ILE A 21 1.324 -2.206 0.933 1.00 63.34 H new ATOM 0 HG21 ILE A 21 1.020 -1.473 -2.729 1.00 14.24 H new ATOM 0 HG22 ILE A 21 0.246 -3.028 -3.117 1.00 14.24 H new ATOM 0 HG23 ILE A 21 -0.641 -1.800 -2.182 1.00 14.24 H new ATOM 0 HD11 ILE A 21 2.236 0.003 0.412 1.00 42.52 H new ATOM 0 HD12 ILE A 21 3.106 -1.261 -0.491 1.00 42.52 H new ATOM 0 HD13 ILE A 21 1.896 -0.250 -1.317 1.00 42.52 H new ATOM 337 N THR A 22 0.673 -5.856 -1.809 1.00 74.44 N ATOM 338 CA THR A 22 0.579 -6.901 -2.822 1.00 64.04 C ATOM 339 C THR A 22 -0.634 -7.792 -2.582 1.00 21.52 C ATOM 340 O THR A 22 -1.224 -8.320 -3.524 1.00 21.30 O ATOM 341 CB THR A 22 1.847 -7.774 -2.846 1.00 71.43 C ATOM 342 OG1 THR A 22 2.996 -6.963 -3.112 1.00 23.22 O ATOM 343 CG2 THR A 22 1.733 -8.864 -3.903 1.00 4.43 C ATOM 0 H THR A 22 1.532 -5.878 -1.259 1.00 74.44 H new ATOM 0 HA THR A 22 0.473 -6.400 -3.784 1.00 64.04 H new ATOM 0 HB THR A 22 1.955 -8.246 -1.869 1.00 71.43 H new ATOM 0 HG1 THR A 22 3.279 -6.516 -2.287 1.00 23.22 H new ATOM 0 HG21 THR A 22 2.640 -9.468 -3.902 1.00 4.43 H new ATOM 0 HG22 THR A 22 0.874 -9.498 -3.681 1.00 4.43 H new ATOM 0 HG23 THR A 22 1.603 -8.407 -4.884 1.00 4.43 H new ATOM 351 N ASP A 23 -1.002 -7.954 -1.315 1.00 43.04 N ATOM 352 CA ASP A 23 -2.146 -8.781 -0.952 1.00 33.33 C ATOM 353 C ASP A 23 -3.411 -8.297 -1.654 1.00 32.51 C ATOM 354 O ASP A 23 -3.953 -8.983 -2.522 1.00 11.51 O ATOM 355 CB ASP A 23 -2.352 -8.766 0.564 1.00 72.01 C ATOM 356 CG ASP A 23 -3.225 -9.910 1.041 1.00 55.20 C ATOM 357 OD1 ASP A 23 -3.482 -10.834 0.241 1.00 61.43 O ATOM 358 OD2 ASP A 23 -3.652 -9.882 2.215 1.00 41.52 O ATOM 0 H ASP A 23 -0.524 -7.523 -0.523 1.00 43.04 H new ATOM 0 HA ASP A 23 -1.942 -9.802 -1.274 1.00 33.33 H new ATOM 0 HB2 ASP A 23 -1.383 -8.821 1.060 1.00 72.01 H new ATOM 0 HB3 ASP A 23 -2.807 -7.819 0.857 1.00 72.01 H new ATOM 363 N LEU A 24 -3.878 -7.113 -1.273 1.00 63.11 N ATOM 364 CA LEU A 24 -5.080 -6.537 -1.865 1.00 51.34 C ATOM 365 C LEU A 24 -5.021 -6.602 -3.388 1.00 1.10 C ATOM 366 O LEU A 24 -6.029 -6.853 -4.049 1.00 35.33 O ATOM 367 CB LEU A 24 -5.251 -5.087 -1.411 1.00 0.53 C ATOM 368 CG LEU A 24 -5.645 -4.883 0.053 1.00 75.34 C ATOM 369 CD1 LEU A 24 -5.907 -3.412 0.335 1.00 34.13 C ATOM 370 CD2 LEU A 24 -6.868 -5.720 0.396 1.00 70.54 C ATOM 0 H LEU A 24 -3.442 -6.533 -0.556 1.00 63.11 H new ATOM 0 HA LEU A 24 -5.937 -7.120 -1.528 1.00 51.34 H new ATOM 0 HB2 LEU A 24 -4.315 -4.558 -1.591 1.00 0.53 H new ATOM 0 HB3 LEU A 24 -6.008 -4.618 -2.039 1.00 0.53 H new ATOM 0 HG LEU A 24 -4.817 -5.210 0.682 1.00 75.34 H new ATOM 0 HD11 LEU A 24 -6.186 -3.286 1.381 1.00 34.13 H new ATOM 0 HD12 LEU A 24 -5.005 -2.836 0.128 1.00 34.13 H new ATOM 0 HD13 LEU A 24 -6.718 -3.058 -0.302 1.00 34.13 H new ATOM 0 HD21 LEU A 24 -7.135 -5.563 1.441 1.00 70.54 H new ATOM 0 HD22 LEU A 24 -7.702 -5.423 -0.240 1.00 70.54 H new ATOM 0 HD23 LEU A 24 -6.645 -6.774 0.233 1.00 70.54 H new ATOM 382 N LEU A 25 -3.834 -6.375 -3.940 1.00 23.24 N ATOM 383 CA LEU A 25 -3.642 -6.410 -5.385 1.00 12.54 C ATOM 384 C LEU A 25 -4.104 -7.743 -5.964 1.00 35.41 C ATOM 385 O LEU A 25 -4.803 -7.782 -6.976 1.00 63.44 O ATOM 386 CB LEU A 25 -2.171 -6.174 -5.730 1.00 61.03 C ATOM 387 CG LEU A 25 -1.820 -4.784 -6.262 1.00 14.23 C ATOM 388 CD1 LEU A 25 -2.360 -4.601 -7.672 1.00 50.44 C ATOM 389 CD2 LEU A 25 -2.366 -3.706 -5.337 1.00 2.23 C ATOM 0 H LEU A 25 -2.990 -6.165 -3.408 1.00 23.24 H new ATOM 0 HA LEU A 25 -4.244 -5.615 -5.826 1.00 12.54 H new ATOM 0 HB2 LEU A 25 -1.575 -6.360 -4.837 1.00 61.03 H new ATOM 0 HB3 LEU A 25 -1.870 -6.912 -6.474 1.00 61.03 H new ATOM 0 HG LEU A 25 -0.734 -4.692 -6.295 1.00 14.23 H new ATOM 0 HD11 LEU A 25 -2.101 -3.606 -8.035 1.00 50.44 H new ATOM 0 HD12 LEU A 25 -1.923 -5.352 -8.330 1.00 50.44 H new ATOM 0 HD13 LEU A 25 -3.444 -4.713 -7.664 1.00 50.44 H new ATOM 0 HD21 LEU A 25 -2.107 -2.723 -5.731 1.00 2.23 H new ATOM 0 HD22 LEU A 25 -3.450 -3.797 -5.273 1.00 2.23 H new ATOM 0 HD23 LEU A 25 -1.932 -3.825 -4.344 1.00 2.23 H new ATOM 401 N ASP A 26 -3.712 -8.833 -5.312 1.00 2.21 N ATOM 402 CA ASP A 26 -4.089 -10.168 -5.760 1.00 51.21 C ATOM 403 C ASP A 26 -5.603 -10.349 -5.716 1.00 52.22 C ATOM 404 O ASP A 26 -6.210 -10.812 -6.682 1.00 21.44 O ATOM 405 CB ASP A 26 -3.410 -11.230 -4.893 1.00 74.23 C ATOM 406 CG ASP A 26 -3.891 -12.632 -5.212 1.00 73.25 C ATOM 407 OD1 ASP A 26 -4.945 -13.034 -4.678 1.00 12.30 O ATOM 408 OD2 ASP A 26 -3.213 -13.328 -5.997 1.00 44.44 O ATOM 0 H ASP A 26 -3.134 -8.818 -4.472 1.00 2.21 H new ATOM 0 HA ASP A 26 -3.758 -10.286 -6.792 1.00 51.21 H new ATOM 0 HB2 ASP A 26 -2.331 -11.178 -5.038 1.00 74.23 H new ATOM 0 HB3 ASP A 26 -3.601 -11.014 -3.842 1.00 74.23 H new ATOM 413 N ASP A 27 -6.205 -9.982 -4.591 1.00 3.43 N ATOM 414 CA ASP A 27 -7.648 -10.103 -4.421 1.00 72.02 C ATOM 415 C ASP A 27 -8.390 -9.271 -5.463 1.00 33.23 C ATOM 416 O ASP A 27 -9.482 -9.635 -5.900 1.00 14.14 O ATOM 417 CB ASP A 27 -8.057 -9.664 -3.014 1.00 1.11 C ATOM 418 CG ASP A 27 -7.910 -10.776 -1.994 1.00 71.32 C ATOM 419 OD1 ASP A 27 -6.761 -11.165 -1.703 1.00 64.31 O ATOM 420 OD2 ASP A 27 -8.946 -11.257 -1.489 1.00 20.32 O ATOM 0 H ASP A 27 -5.716 -9.598 -3.782 1.00 3.43 H new ATOM 0 HA ASP A 27 -7.918 -11.150 -4.559 1.00 72.02 H new ATOM 0 HB2 ASP A 27 -7.447 -8.814 -2.710 1.00 1.11 H new ATOM 0 HB3 ASP A 27 -9.092 -9.324 -3.029 1.00 1.11 H new ATOM 425 N LEU A 28 -7.790 -8.153 -5.855 1.00 14.11 N ATOM 426 CA LEU A 28 -8.394 -7.269 -6.846 1.00 10.51 C ATOM 427 C LEU A 28 -8.393 -7.915 -8.227 1.00 11.32 C ATOM 428 O LEU A 28 -9.186 -7.551 -9.096 1.00 3.23 O ATOM 429 CB LEU A 28 -7.643 -5.936 -6.893 1.00 14.01 C ATOM 430 CG LEU A 28 -8.319 -4.760 -6.187 1.00 53.54 C ATOM 431 CD1 LEU A 28 -7.431 -3.525 -6.238 1.00 73.42 C ATOM 432 CD2 LEU A 28 -9.675 -4.469 -6.814 1.00 62.33 C ATOM 0 H LEU A 28 -6.887 -7.837 -5.502 1.00 14.11 H new ATOM 0 HA LEU A 28 -9.428 -7.088 -6.552 1.00 10.51 H new ATOM 0 HB2 LEU A 28 -6.657 -6.081 -6.451 1.00 14.01 H new ATOM 0 HB3 LEU A 28 -7.487 -5.666 -7.938 1.00 14.01 H new ATOM 0 HG LEU A 28 -8.474 -5.029 -5.142 1.00 53.54 H new ATOM 0 HD11 LEU A 28 -7.928 -2.698 -5.731 1.00 73.42 H new ATOM 0 HD12 LEU A 28 -6.484 -3.737 -5.743 1.00 73.42 H new ATOM 0 HD13 LEU A 28 -7.244 -3.254 -7.277 1.00 73.42 H new ATOM 0 HD21 LEU A 28 -10.141 -3.629 -6.299 1.00 62.33 H new ATOM 0 HD22 LEU A 28 -9.543 -4.221 -7.867 1.00 62.33 H new ATOM 0 HD23 LEU A 28 -10.313 -5.348 -6.726 1.00 62.33 H new ATOM 444 N LYS A 29 -7.498 -8.878 -8.422 1.00 74.21 N ATOM 445 CA LYS A 29 -7.396 -9.580 -9.696 1.00 51.45 C ATOM 446 C LYS A 29 -8.769 -10.039 -10.177 1.00 63.14 C ATOM 447 O LYS A 29 -9.616 -10.440 -9.379 1.00 61.02 O ATOM 448 CB LYS A 29 -6.460 -10.784 -9.565 1.00 32.24 C ATOM 449 CG LYS A 29 -6.311 -11.581 -10.849 1.00 70.04 C ATOM 450 CD LYS A 29 -4.896 -12.109 -11.017 1.00 21.24 C ATOM 451 CE LYS A 29 -3.995 -11.085 -11.688 1.00 52.25 C ATOM 452 NZ LYS A 29 -4.131 -11.114 -13.171 1.00 1.23 N ATOM 0 H LYS A 29 -6.833 -9.190 -7.714 1.00 74.21 H new ATOM 0 HA LYS A 29 -6.987 -8.888 -10.432 1.00 51.45 H new ATOM 0 HB2 LYS A 29 -5.477 -10.437 -9.247 1.00 32.24 H new ATOM 0 HB3 LYS A 29 -6.835 -11.441 -8.781 1.00 32.24 H new ATOM 0 HG2 LYS A 29 -7.013 -12.415 -10.844 1.00 70.04 H new ATOM 0 HG3 LYS A 29 -6.569 -10.952 -11.701 1.00 70.04 H new ATOM 0 HD2 LYS A 29 -4.486 -12.372 -10.042 1.00 21.24 H new ATOM 0 HD3 LYS A 29 -4.916 -13.023 -11.611 1.00 21.24 H new ATOM 0 HE2 LYS A 29 -4.241 -10.089 -11.320 1.00 52.25 H new ATOM 0 HE3 LYS A 29 -2.958 -11.279 -11.414 1.00 52.25 H new ATOM 0 HZ1 LYS A 29 -3.501 -10.402 -13.591 1.00 1.23 H new ATOM 0 HZ2 LYS A 29 -3.872 -12.057 -13.525 1.00 1.23 H new ATOM 0 HZ3 LYS A 29 -5.115 -10.904 -13.434 1.00 1.23 H new ATOM 466 N THR A 30 -8.982 -9.979 -11.489 1.00 14.14 N ATOM 467 CA THR A 30 -10.252 -10.389 -12.075 1.00 40.32 C ATOM 468 C THR A 30 -11.428 -9.791 -11.313 1.00 73.13 C ATOM 469 O THR A 30 -12.270 -10.517 -10.783 1.00 42.20 O ATOM 470 CB THR A 30 -10.393 -11.923 -12.095 1.00 25.15 C ATOM 471 OG1 THR A 30 -9.823 -12.482 -10.906 1.00 51.51 O ATOM 472 CG2 THR A 30 -9.709 -12.514 -13.318 1.00 62.22 C ATOM 0 H THR A 30 -8.292 -9.651 -12.164 1.00 14.14 H new ATOM 0 HA THR A 30 -10.261 -10.018 -13.100 1.00 40.32 H new ATOM 0 HB THR A 30 -11.454 -12.168 -12.139 1.00 25.15 H new ATOM 0 HG1 THR A 30 -10.224 -12.056 -10.120 1.00 51.51 H new ATOM 0 HG21 THR A 30 -9.822 -13.598 -13.310 1.00 62.22 H new ATOM 0 HG22 THR A 30 -10.165 -12.108 -14.221 1.00 62.22 H new ATOM 0 HG23 THR A 30 -8.649 -12.260 -13.301 1.00 62.22 H new ATOM 480 N ASP A 31 -11.482 -8.464 -11.263 1.00 31.23 N ATOM 481 CA ASP A 31 -12.558 -7.768 -10.567 1.00 63.12 C ATOM 482 C ASP A 31 -12.586 -6.292 -10.948 1.00 11.43 C ATOM 483 O ASP A 31 -11.540 -5.658 -11.098 1.00 31.43 O ATOM 484 CB ASP A 31 -12.393 -7.914 -9.053 1.00 41.12 C ATOM 485 CG ASP A 31 -13.621 -7.462 -8.290 1.00 35.32 C ATOM 486 OD1 ASP A 31 -14.663 -7.213 -8.935 1.00 4.32 O ATOM 487 OD2 ASP A 31 -13.544 -7.358 -7.048 1.00 53.14 O ATOM 0 H ASP A 31 -10.793 -7.849 -11.696 1.00 31.23 H new ATOM 0 HA ASP A 31 -13.504 -8.220 -10.867 1.00 63.12 H new ATOM 0 HB2 ASP A 31 -12.183 -8.956 -8.812 1.00 41.12 H new ATOM 0 HB3 ASP A 31 -11.531 -7.331 -8.727 1.00 41.12 H new ATOM 492 N LEU A 32 -13.788 -5.749 -11.104 1.00 52.32 N ATOM 493 CA LEU A 32 -13.952 -4.346 -11.469 1.00 55.01 C ATOM 494 C LEU A 32 -14.326 -3.507 -10.251 1.00 74.02 C ATOM 495 O LEU A 32 -15.033 -2.506 -10.368 1.00 71.34 O ATOM 496 CB LEU A 32 -15.026 -4.203 -12.550 1.00 41.25 C ATOM 497 CG LEU A 32 -14.583 -4.513 -13.980 1.00 64.13 C ATOM 498 CD1 LEU A 32 -13.429 -3.611 -14.389 1.00 62.22 C ATOM 499 CD2 LEU A 32 -14.190 -5.977 -14.111 1.00 61.23 C ATOM 0 H LEU A 32 -14.663 -6.259 -10.984 1.00 52.32 H new ATOM 0 HA LEU A 32 -13.001 -3.983 -11.859 1.00 55.01 H new ATOM 0 HB2 LEU A 32 -15.857 -4.861 -12.298 1.00 41.25 H new ATOM 0 HB3 LEU A 32 -15.408 -3.182 -12.522 1.00 41.25 H new ATOM 0 HG LEU A 32 -15.422 -4.321 -14.649 1.00 64.13 H new ATOM 0 HD11 LEU A 32 -13.127 -3.846 -15.410 1.00 62.22 H new ATOM 0 HD12 LEU A 32 -13.745 -2.569 -14.335 1.00 62.22 H new ATOM 0 HD13 LEU A 32 -12.587 -3.770 -13.716 1.00 62.22 H new ATOM 0 HD21 LEU A 32 -13.877 -6.180 -15.135 1.00 61.23 H new ATOM 0 HD22 LEU A 32 -13.367 -6.195 -13.431 1.00 61.23 H new ATOM 0 HD23 LEU A 32 -15.044 -6.607 -13.861 1.00 61.23 H new ATOM 511 N ASP A 33 -13.846 -3.921 -9.084 1.00 63.13 N ATOM 512 CA ASP A 33 -14.126 -3.206 -7.845 1.00 13.11 C ATOM 513 C ASP A 33 -13.207 -1.998 -7.694 1.00 71.11 C ATOM 514 O ASP A 33 -13.569 -1.005 -7.064 1.00 44.23 O ATOM 515 CB ASP A 33 -13.963 -4.139 -6.644 1.00 21.30 C ATOM 516 CG ASP A 33 -14.399 -3.492 -5.344 1.00 42.53 C ATOM 517 OD1 ASP A 33 -15.167 -2.509 -5.398 1.00 30.11 O ATOM 518 OD2 ASP A 33 -13.970 -3.967 -4.272 1.00 64.12 O ATOM 0 H ASP A 33 -13.261 -4.749 -8.970 1.00 63.13 H new ATOM 0 HA ASP A 33 -15.157 -2.853 -7.884 1.00 13.11 H new ATOM 0 HB2 ASP A 33 -14.547 -5.044 -6.809 1.00 21.30 H new ATOM 0 HB3 ASP A 33 -12.919 -4.443 -6.563 1.00 21.30 H new ATOM 523 N ASN A 34 -12.016 -2.091 -8.276 1.00 41.33 N ATOM 524 CA ASN A 34 -11.043 -1.006 -8.205 1.00 73.13 C ATOM 525 C ASN A 34 -9.964 -1.173 -9.272 1.00 55.21 C ATOM 526 O ASN A 34 -8.967 -1.859 -9.056 1.00 64.34 O ATOM 527 CB ASN A 34 -10.401 -0.959 -6.818 1.00 72.23 C ATOM 528 CG ASN A 34 -11.055 0.069 -5.914 1.00 61.10 C ATOM 529 OD1 ASN A 34 -11.600 1.068 -6.383 1.00 71.13 O ATOM 530 ND2 ASN A 34 -11.001 -0.172 -4.609 1.00 74.23 N ATOM 0 H ASN A 34 -11.701 -2.906 -8.802 1.00 41.33 H new ATOM 0 HA ASN A 34 -11.568 -0.068 -8.387 1.00 73.13 H new ATOM 0 HB2 ASN A 34 -10.470 -1.943 -6.355 1.00 72.23 H new ATOM 0 HB3 ASN A 34 -9.340 -0.728 -6.919 1.00 72.23 H new ATOM 0 HD21 ASN A 34 -11.422 0.484 -3.951 1.00 74.23 H new ATOM 0 HD22 ASN A 34 -10.539 -1.013 -4.264 1.00 74.23 H new ATOM 537 N GLU A 35 -10.174 -0.538 -10.422 1.00 25.14 N ATOM 538 CA GLU A 35 -9.218 -0.616 -11.520 1.00 54.14 C ATOM 539 C GLU A 35 -8.184 0.501 -11.423 1.00 41.40 C ATOM 540 O GLU A 35 -7.028 0.263 -11.073 1.00 62.51 O ATOM 541 CB GLU A 35 -9.946 -0.536 -12.864 1.00 63.41 C ATOM 542 CG GLU A 35 -9.018 -0.618 -14.064 1.00 71.31 C ATOM 543 CD GLU A 35 -8.528 0.744 -14.517 1.00 25.14 C ATOM 544 OE1 GLU A 35 -9.337 1.508 -15.083 1.00 32.42 O ATOM 545 OE2 GLU A 35 -7.335 1.046 -14.303 1.00 22.11 O ATOM 0 H GLU A 35 -10.996 0.034 -10.616 1.00 25.14 H new ATOM 0 HA GLU A 35 -8.700 -1.573 -11.450 1.00 54.14 H new ATOM 0 HB2 GLU A 35 -10.674 -1.345 -12.922 1.00 63.41 H new ATOM 0 HB3 GLU A 35 -10.504 0.399 -12.910 1.00 63.41 H new ATOM 0 HG2 GLU A 35 -8.161 -1.243 -13.814 1.00 71.31 H new ATOM 0 HG3 GLU A 35 -9.538 -1.105 -14.888 1.00 71.31 H new ATOM 552 N SER A 36 -8.608 1.721 -11.736 1.00 70.10 N ATOM 553 CA SER A 36 -7.718 2.876 -11.688 1.00 61.23 C ATOM 554 C SER A 36 -7.090 3.020 -10.305 1.00 44.13 C ATOM 555 O SER A 36 -5.965 3.503 -10.169 1.00 14.34 O ATOM 556 CB SER A 36 -8.482 4.150 -12.049 1.00 51.45 C ATOM 557 OG SER A 36 -9.607 4.326 -11.206 1.00 14.43 O ATOM 0 H SER A 36 -9.562 1.936 -12.026 1.00 70.10 H new ATOM 0 HA SER A 36 -6.921 2.721 -12.415 1.00 61.23 H new ATOM 0 HB2 SER A 36 -7.820 5.012 -11.962 1.00 51.45 H new ATOM 0 HB3 SER A 36 -8.807 4.101 -13.088 1.00 51.45 H new ATOM 0 HG SER A 36 -10.078 5.148 -11.456 1.00 14.43 H new ATOM 563 N LEU A 37 -7.824 2.598 -9.281 1.00 54.14 N ATOM 564 CA LEU A 37 -7.341 2.679 -7.908 1.00 5.53 C ATOM 565 C LEU A 37 -6.011 1.949 -7.755 1.00 4.21 C ATOM 566 O LEU A 37 -5.141 2.371 -6.991 1.00 21.41 O ATOM 567 CB LEU A 37 -8.373 2.089 -6.947 1.00 20.11 C ATOM 568 CG LEU A 37 -8.177 2.418 -5.467 1.00 33.15 C ATOM 569 CD1 LEU A 37 -7.005 1.635 -4.897 1.00 4.44 C ATOM 570 CD2 LEU A 37 -7.968 3.913 -5.275 1.00 43.12 C ATOM 0 H LEU A 37 -8.757 2.196 -9.376 1.00 54.14 H new ATOM 0 HA LEU A 37 -7.188 3.730 -7.665 1.00 5.53 H new ATOM 0 HB2 LEU A 37 -9.361 2.437 -7.248 1.00 20.11 H new ATOM 0 HB3 LEU A 37 -8.368 1.005 -7.061 1.00 20.11 H new ATOM 0 HG LEU A 37 -9.078 2.127 -4.927 1.00 33.15 H new ATOM 0 HD11 LEU A 37 -6.881 1.882 -3.843 1.00 4.44 H new ATOM 0 HD12 LEU A 37 -7.197 0.567 -4.999 1.00 4.44 H new ATOM 0 HD13 LEU A 37 -6.096 1.894 -5.440 1.00 4.44 H new ATOM 0 HD21 LEU A 37 -7.830 4.128 -4.215 1.00 43.12 H new ATOM 0 HD22 LEU A 37 -7.084 4.231 -5.828 1.00 43.12 H new ATOM 0 HD23 LEU A 37 -8.840 4.453 -5.644 1.00 43.12 H new ATOM 582 N LYS A 38 -5.857 0.851 -8.487 1.00 30.40 N ATOM 583 CA LYS A 38 -4.632 0.062 -8.436 1.00 23.13 C ATOM 584 C LYS A 38 -3.406 0.945 -8.644 1.00 2.24 C ATOM 585 O LYS A 38 -2.321 0.648 -8.142 1.00 75.11 O ATOM 586 CB LYS A 38 -4.666 -1.039 -9.499 1.00 5.24 C ATOM 587 CG LYS A 38 -5.591 -2.192 -9.151 1.00 53.14 C ATOM 588 CD LYS A 38 -5.608 -3.244 -10.248 1.00 2.44 C ATOM 589 CE LYS A 38 -6.828 -4.145 -10.137 1.00 43.12 C ATOM 590 NZ LYS A 38 -7.379 -4.498 -11.474 1.00 34.21 N ATOM 0 H LYS A 38 -6.566 0.487 -9.123 1.00 30.40 H new ATOM 0 HA LYS A 38 -4.565 -0.395 -7.449 1.00 23.13 H new ATOM 0 HB2 LYS A 38 -4.980 -0.606 -10.449 1.00 5.24 H new ATOM 0 HB3 LYS A 38 -3.657 -1.425 -9.643 1.00 5.24 H new ATOM 0 HG2 LYS A 38 -5.270 -2.647 -8.214 1.00 53.14 H new ATOM 0 HG3 LYS A 38 -6.601 -1.814 -8.992 1.00 53.14 H new ATOM 0 HD2 LYS A 38 -5.603 -2.755 -11.222 1.00 2.44 H new ATOM 0 HD3 LYS A 38 -4.702 -3.847 -10.189 1.00 2.44 H new ATOM 0 HE2 LYS A 38 -6.559 -5.056 -9.603 1.00 43.12 H new ATOM 0 HE3 LYS A 38 -7.597 -3.645 -9.548 1.00 43.12 H new ATOM 0 HZ1 LYS A 38 -8.209 -5.113 -11.356 1.00 34.21 H new ATOM 0 HZ2 LYS A 38 -7.659 -3.630 -11.974 1.00 34.21 H new ATOM 0 HZ3 LYS A 38 -6.654 -4.998 -12.027 1.00 34.21 H new ATOM 604 N LYS A 39 -3.586 2.035 -9.384 1.00 32.35 N ATOM 605 CA LYS A 39 -2.496 2.965 -9.655 1.00 63.31 C ATOM 606 C LYS A 39 -1.894 3.492 -8.356 1.00 61.30 C ATOM 607 O LYS A 39 -0.692 3.743 -8.274 1.00 4.02 O ATOM 608 CB LYS A 39 -2.995 4.132 -10.509 1.00 71.14 C ATOM 609 CG LYS A 39 -3.609 5.260 -9.698 1.00 62.24 C ATOM 610 CD LYS A 39 -4.078 6.397 -10.591 1.00 20.14 C ATOM 611 CE LYS A 39 -5.239 5.968 -11.476 1.00 65.11 C ATOM 612 NZ LYS A 39 -5.665 7.057 -12.398 1.00 23.24 N ATOM 0 H LYS A 39 -4.477 2.296 -9.807 1.00 32.35 H new ATOM 0 HA LYS A 39 -1.721 2.428 -10.202 1.00 63.31 H new ATOM 0 HB2 LYS A 39 -2.163 4.526 -11.092 1.00 71.14 H new ATOM 0 HB3 LYS A 39 -3.735 3.762 -11.219 1.00 71.14 H new ATOM 0 HG2 LYS A 39 -4.451 4.878 -9.121 1.00 62.24 H new ATOM 0 HG3 LYS A 39 -2.877 5.636 -8.983 1.00 62.24 H new ATOM 0 HD2 LYS A 39 -4.382 7.243 -9.975 1.00 20.14 H new ATOM 0 HD3 LYS A 39 -3.251 6.737 -11.214 1.00 20.14 H new ATOM 0 HE2 LYS A 39 -4.949 5.093 -12.057 1.00 65.11 H new ATOM 0 HE3 LYS A 39 -6.081 5.671 -10.851 1.00 65.11 H new ATOM 0 HZ1 LYS A 39 -6.458 6.726 -12.984 1.00 23.24 H new ATOM 0 HZ2 LYS A 39 -5.966 7.884 -11.843 1.00 23.24 H new ATOM 0 HZ3 LYS A 39 -4.869 7.324 -13.012 1.00 23.24 H new ATOM 626 N VAL A 40 -2.738 3.656 -7.343 1.00 21.33 N ATOM 627 CA VAL A 40 -2.289 4.151 -6.046 1.00 71.42 C ATOM 628 C VAL A 40 -1.401 3.129 -5.345 1.00 51.11 C ATOM 629 O VAL A 40 -0.247 3.410 -5.024 1.00 5.42 O ATOM 630 CB VAL A 40 -3.481 4.493 -5.133 1.00 24.42 C ATOM 631 CG1 VAL A 40 -3.065 4.436 -3.670 1.00 34.45 C ATOM 632 CG2 VAL A 40 -4.045 5.861 -5.482 1.00 70.52 C ATOM 0 H VAL A 40 -3.736 3.454 -7.395 1.00 21.33 H new ATOM 0 HA VAL A 40 -1.714 5.058 -6.235 1.00 71.42 H new ATOM 0 HB VAL A 40 -4.264 3.752 -5.294 1.00 24.42 H new ATOM 0 HG11 VAL A 40 -3.920 4.680 -3.039 1.00 34.45 H new ATOM 0 HG12 VAL A 40 -2.712 3.433 -3.431 1.00 34.45 H new ATOM 0 HG13 VAL A 40 -2.265 5.154 -3.491 1.00 34.45 H new ATOM 0 HG21 VAL A 40 -4.886 6.086 -4.827 1.00 70.52 H new ATOM 0 HG22 VAL A 40 -3.271 6.618 -5.351 1.00 70.52 H new ATOM 0 HG23 VAL A 40 -4.382 5.862 -6.519 1.00 70.52 H new ATOM 642 N LEU A 41 -1.948 1.941 -5.112 1.00 41.32 N ATOM 643 CA LEU A 41 -1.205 0.874 -4.449 1.00 43.22 C ATOM 644 C LEU A 41 0.043 0.504 -5.244 1.00 54.13 C ATOM 645 O LEU A 41 1.141 0.431 -4.694 1.00 12.22 O ATOM 646 CB LEU A 41 -2.093 -0.357 -4.269 1.00 73.43 C ATOM 647 CG LEU A 41 -3.319 -0.177 -3.372 1.00 44.40 C ATOM 648 CD1 LEU A 41 -4.453 -1.081 -3.829 1.00 5.14 C ATOM 649 CD2 LEU A 41 -2.962 -0.458 -1.920 1.00 13.45 C ATOM 0 H LEU A 41 -2.902 1.692 -5.372 1.00 41.32 H new ATOM 0 HA LEU A 41 -0.894 1.236 -3.469 1.00 43.22 H new ATOM 0 HB2 LEU A 41 -2.432 -0.682 -5.253 1.00 73.43 H new ATOM 0 HB3 LEU A 41 -1.484 -1.163 -3.860 1.00 73.43 H new ATOM 0 HG LEU A 41 -3.654 0.857 -3.450 1.00 44.40 H new ATOM 0 HD11 LEU A 41 -5.316 -0.939 -3.179 1.00 5.14 H new ATOM 0 HD12 LEU A 41 -4.726 -0.832 -4.854 1.00 5.14 H new ATOM 0 HD13 LEU A 41 -4.131 -2.121 -3.782 1.00 5.14 H new ATOM 0 HD21 LEU A 41 -3.846 -0.325 -1.296 1.00 13.45 H new ATOM 0 HD22 LEU A 41 -2.602 -1.482 -1.826 1.00 13.45 H new ATOM 0 HD23 LEU A 41 -2.183 0.232 -1.597 1.00 13.45 H new ATOM 661 N GLU A 42 -0.135 0.273 -6.541 1.00 62.14 N ATOM 662 CA GLU A 42 0.977 -0.089 -7.412 1.00 52.51 C ATOM 663 C GLU A 42 2.086 0.958 -7.340 1.00 64.32 C ATOM 664 O GLU A 42 3.220 0.651 -6.975 1.00 30.21 O ATOM 665 CB GLU A 42 0.495 -0.239 -8.856 1.00 43.51 C ATOM 666 CG GLU A 42 -0.233 -1.545 -9.122 1.00 52.30 C ATOM 667 CD GLU A 42 0.038 -2.091 -10.511 1.00 32.23 C ATOM 668 OE1 GLU A 42 -0.173 -1.348 -11.491 1.00 72.53 O ATOM 669 OE2 GLU A 42 0.460 -3.262 -10.616 1.00 71.10 O ATOM 0 H GLU A 42 -1.038 0.330 -7.011 1.00 62.14 H new ATOM 0 HA GLU A 42 1.378 -1.043 -7.070 1.00 52.51 H new ATOM 0 HB2 GLU A 42 -0.168 0.592 -9.097 1.00 43.51 H new ATOM 0 HB3 GLU A 42 1.352 -0.168 -9.525 1.00 43.51 H new ATOM 0 HG2 GLU A 42 0.070 -2.283 -8.380 1.00 52.30 H new ATOM 0 HG3 GLU A 42 -1.305 -1.391 -8.999 1.00 52.30 H new ATOM 676 N ASN A 43 1.750 2.194 -7.692 1.00 14.10 N ATOM 677 CA ASN A 43 2.717 3.286 -7.669 1.00 35.02 C ATOM 678 C ASN A 43 3.469 3.318 -6.343 1.00 24.41 C ATOM 679 O ASN A 43 4.679 3.091 -6.298 1.00 11.23 O ATOM 680 CB ASN A 43 2.011 4.624 -7.900 1.00 22.41 C ATOM 681 CG ASN A 43 2.983 5.787 -7.957 1.00 13.01 C ATOM 682 OD1 ASN A 43 4.192 5.609 -7.802 1.00 34.13 O ATOM 683 ND2 ASN A 43 2.458 6.985 -8.181 1.00 52.51 N ATOM 0 H ASN A 43 0.815 2.465 -7.997 1.00 14.10 H new ATOM 0 HA ASN A 43 3.436 3.119 -8.471 1.00 35.02 H new ATOM 0 HB2 ASN A 43 1.448 4.579 -8.832 1.00 22.41 H new ATOM 0 HB3 ASN A 43 1.291 4.795 -7.100 1.00 22.41 H new ATOM 0 HD21 ASN A 43 3.062 7.805 -8.231 1.00 52.51 H new ATOM 0 HD22 ASN A 43 1.450 7.085 -8.304 1.00 52.51 H new ATOM 690 N TYR A 44 2.746 3.599 -5.265 1.00 62.12 N ATOM 691 CA TYR A 44 3.345 3.663 -3.937 1.00 62.53 C ATOM 692 C TYR A 44 4.178 2.415 -3.655 1.00 33.41 C ATOM 693 O TYR A 44 5.289 2.500 -3.132 1.00 30.24 O ATOM 694 CB TYR A 44 2.260 3.817 -2.871 1.00 74.23 C ATOM 695 CG TYR A 44 1.743 5.231 -2.732 1.00 44.12 C ATOM 696 CD1 TYR A 44 2.605 6.278 -2.427 1.00 50.33 C ATOM 697 CD2 TYR A 44 0.397 5.520 -2.905 1.00 34.22 C ATOM 698 CE1 TYR A 44 2.138 7.573 -2.299 1.00 22.44 C ATOM 699 CE2 TYR A 44 -0.079 6.812 -2.780 1.00 20.03 C ATOM 700 CZ TYR A 44 0.796 7.834 -2.477 1.00 31.11 C ATOM 701 OH TYR A 44 0.326 9.121 -2.350 1.00 1.21 O ATOM 0 H TYR A 44 1.744 3.786 -5.285 1.00 62.12 H new ATOM 0 HA TYR A 44 4.002 4.532 -3.904 1.00 62.53 H new ATOM 0 HB2 TYR A 44 1.427 3.157 -3.114 1.00 74.23 H new ATOM 0 HB3 TYR A 44 2.657 3.488 -1.911 1.00 74.23 H new ATOM 0 HD1 TYR A 44 3.657 6.077 -2.288 1.00 50.33 H new ATOM 0 HD2 TYR A 44 -0.291 4.722 -3.141 1.00 34.22 H new ATOM 0 HE1 TYR A 44 2.820 8.375 -2.061 1.00 22.44 H new ATOM 0 HE2 TYR A 44 -1.130 7.020 -2.919 1.00 20.03 H new ATOM 0 HH TYR A 44 -0.505 9.218 -2.861 1.00 1.21 H new ATOM 711 N LEU A 45 3.631 1.256 -4.007 1.00 32.13 N ATOM 712 CA LEU A 45 4.321 -0.011 -3.793 1.00 31.23 C ATOM 713 C LEU A 45 5.682 -0.013 -4.482 1.00 21.53 C ATOM 714 O LEU A 45 6.647 -0.578 -3.968 1.00 52.13 O ATOM 715 CB LEU A 45 3.471 -1.172 -4.313 1.00 42.53 C ATOM 716 CG LEU A 45 4.123 -2.554 -4.269 1.00 24.15 C ATOM 717 CD1 LEU A 45 3.960 -3.178 -2.891 1.00 5.42 C ATOM 718 CD2 LEU A 45 3.530 -3.459 -5.340 1.00 1.03 C ATOM 0 H LEU A 45 2.712 1.168 -4.442 1.00 32.13 H new ATOM 0 HA LEU A 45 4.477 -0.135 -2.721 1.00 31.23 H new ATOM 0 HB2 LEU A 45 2.549 -1.209 -3.733 1.00 42.53 H new ATOM 0 HB3 LEU A 45 3.191 -0.957 -5.344 1.00 42.53 H new ATOM 0 HG LEU A 45 5.188 -2.438 -4.469 1.00 24.15 H new ATOM 0 HD11 LEU A 45 4.430 -4.161 -2.879 1.00 5.42 H new ATOM 0 HD12 LEU A 45 4.433 -2.540 -2.144 1.00 5.42 H new ATOM 0 HD13 LEU A 45 2.899 -3.280 -2.661 1.00 5.42 H new ATOM 0 HD21 LEU A 45 4.006 -4.438 -5.293 1.00 1.03 H new ATOM 0 HD22 LEU A 45 2.459 -3.568 -5.172 1.00 1.03 H new ATOM 0 HD23 LEU A 45 3.700 -3.019 -6.323 1.00 1.03 H new ATOM 730 N GLU A 46 5.751 0.624 -5.647 1.00 31.40 N ATOM 731 CA GLU A 46 6.994 0.697 -6.405 1.00 25.35 C ATOM 732 C GLU A 46 8.025 1.555 -5.678 1.00 1.41 C ATOM 733 O GLU A 46 9.230 1.382 -5.859 1.00 55.34 O ATOM 734 CB GLU A 46 6.734 1.265 -7.801 1.00 52.44 C ATOM 735 CG GLU A 46 6.796 0.222 -8.904 1.00 55.42 C ATOM 736 CD GLU A 46 5.951 0.595 -10.107 1.00 53.34 C ATOM 737 OE1 GLU A 46 4.876 1.202 -9.912 1.00 64.51 O ATOM 738 OE2 GLU A 46 6.363 0.280 -11.243 1.00 34.14 O ATOM 0 H GLU A 46 4.961 1.097 -6.086 1.00 31.40 H new ATOM 0 HA GLU A 46 7.391 -0.314 -6.501 1.00 25.35 H new ATOM 0 HB2 GLU A 46 5.752 1.738 -7.814 1.00 52.44 H new ATOM 0 HB3 GLU A 46 7.466 2.045 -8.009 1.00 52.44 H new ATOM 0 HG2 GLU A 46 7.832 0.092 -9.218 1.00 55.42 H new ATOM 0 HG3 GLU A 46 6.459 -0.737 -8.511 1.00 55.42 H new ATOM 745 N GLU A 47 7.542 2.481 -4.855 1.00 70.24 N ATOM 746 CA GLU A 47 8.422 3.367 -4.102 1.00 51.22 C ATOM 747 C GLU A 47 9.425 2.565 -3.276 1.00 55.25 C ATOM 748 O GLU A 47 10.618 2.869 -3.262 1.00 13.01 O ATOM 749 CB GLU A 47 7.602 4.277 -3.185 1.00 50.33 C ATOM 750 CG GLU A 47 6.533 5.073 -3.916 1.00 52.04 C ATOM 751 CD GLU A 47 7.070 6.355 -4.521 1.00 44.34 C ATOM 752 OE1 GLU A 47 7.869 6.271 -5.478 1.00 45.21 O ATOM 753 OE2 GLU A 47 6.693 7.442 -4.038 1.00 15.34 O ATOM 0 H GLU A 47 6.547 2.637 -4.693 1.00 70.24 H new ATOM 0 HA GLU A 47 8.973 3.981 -4.814 1.00 51.22 H new ATOM 0 HB2 GLU A 47 7.128 3.670 -2.414 1.00 50.33 H new ATOM 0 HB3 GLU A 47 8.275 4.968 -2.677 1.00 50.33 H new ATOM 0 HG2 GLU A 47 6.102 4.456 -4.705 1.00 52.04 H new ATOM 0 HG3 GLU A 47 5.727 5.313 -3.223 1.00 52.04 H new ATOM 760 N LEU A 48 8.932 1.541 -2.589 1.00 74.04 N ATOM 761 CA LEU A 48 9.783 0.695 -1.760 1.00 52.01 C ATOM 762 C LEU A 48 10.919 0.094 -2.582 1.00 74.21 C ATOM 763 O LEU A 48 11.969 -0.259 -2.045 1.00 34.41 O ATOM 764 CB LEU A 48 8.956 -0.421 -1.119 1.00 41.40 C ATOM 765 CG LEU A 48 7.735 0.026 -0.315 1.00 63.13 C ATOM 766 CD1 LEU A 48 6.452 -0.323 -1.055 1.00 4.23 C ATOM 767 CD2 LEU A 48 7.744 -0.610 1.067 1.00 3.25 C ATOM 0 H LEU A 48 7.947 1.276 -2.590 1.00 74.04 H new ATOM 0 HA LEU A 48 10.216 1.315 -0.975 1.00 52.01 H new ATOM 0 HB2 LEU A 48 8.620 -1.095 -1.907 1.00 41.40 H new ATOM 0 HB3 LEU A 48 9.608 -0.997 -0.462 1.00 41.40 H new ATOM 0 HG LEU A 48 7.779 1.109 -0.195 1.00 63.13 H new ATOM 0 HD11 LEU A 48 5.593 0.003 -0.468 1.00 4.23 H new ATOM 0 HD12 LEU A 48 6.442 0.179 -2.022 1.00 4.23 H new ATOM 0 HD13 LEU A 48 6.401 -1.401 -1.206 1.00 4.23 H new ATOM 0 HD21 LEU A 48 6.868 -0.280 1.625 1.00 3.25 H new ATOM 0 HD22 LEU A 48 7.724 -1.695 0.968 1.00 3.25 H new ATOM 0 HD23 LEU A 48 8.647 -0.311 1.599 1.00 3.25 H new ATOM 779 N LYS A 49 10.703 -0.017 -3.888 1.00 54.44 N ATOM 780 CA LYS A 49 11.709 -0.571 -4.786 1.00 63.12 C ATOM 781 C LYS A 49 12.433 0.538 -5.544 1.00 33.43 C ATOM 782 O LYS A 49 13.445 0.294 -6.200 1.00 53.02 O ATOM 783 CB LYS A 49 11.059 -1.540 -5.777 1.00 64.40 C ATOM 784 CG LYS A 49 10.308 -2.679 -5.109 1.00 34.11 C ATOM 785 CD LYS A 49 8.880 -2.283 -4.772 1.00 44.11 C ATOM 786 CE LYS A 49 7.879 -2.982 -5.678 1.00 43.11 C ATOM 787 NZ LYS A 49 7.863 -4.455 -5.456 1.00 52.13 N ATOM 0 H LYS A 49 9.839 0.270 -4.349 1.00 54.44 H new ATOM 0 HA LYS A 49 12.439 -1.111 -4.184 1.00 63.12 H new ATOM 0 HB2 LYS A 49 10.370 -0.986 -6.415 1.00 64.40 H new ATOM 0 HB3 LYS A 49 11.830 -1.955 -6.426 1.00 64.40 H new ATOM 0 HG2 LYS A 49 10.300 -3.547 -5.768 1.00 34.11 H new ATOM 0 HG3 LYS A 49 10.829 -2.975 -4.199 1.00 34.11 H new ATOM 0 HD2 LYS A 49 8.668 -2.533 -3.732 1.00 44.11 H new ATOM 0 HD3 LYS A 49 8.768 -1.203 -4.869 1.00 44.11 H new ATOM 0 HE2 LYS A 49 6.883 -2.577 -5.499 1.00 43.11 H new ATOM 0 HE3 LYS A 49 8.125 -2.774 -6.719 1.00 43.11 H new ATOM 0 HZ1 LYS A 49 6.885 -4.804 -5.510 1.00 52.13 H new ATOM 0 HZ2 LYS A 49 8.438 -4.922 -6.186 1.00 52.13 H new ATOM 0 HZ3 LYS A 49 8.256 -4.669 -4.517 1.00 52.13 H new ATOM 801 N GLN A 50 11.907 1.755 -5.447 1.00 22.14 N ATOM 802 CA GLN A 50 12.504 2.901 -6.123 1.00 64.35 C ATOM 803 C GLN A 50 13.744 3.386 -5.379 1.00 61.22 C ATOM 804 O GLN A 50 14.438 4.295 -5.834 1.00 21.21 O ATOM 805 CB GLN A 50 11.487 4.037 -6.241 1.00 5.14 C ATOM 806 CG GLN A 50 10.554 3.897 -7.433 1.00 11.30 C ATOM 807 CD GLN A 50 11.194 4.351 -8.730 1.00 70.40 C ATOM 808 OE1 GLN A 50 11.964 5.311 -8.754 1.00 14.42 O ATOM 809 NE2 GLN A 50 10.877 3.659 -9.819 1.00 52.41 N ATOM 0 H GLN A 50 11.069 1.973 -4.907 1.00 22.14 H new ATOM 0 HA GLN A 50 12.803 2.586 -7.123 1.00 64.35 H new ATOM 0 HB2 GLN A 50 10.893 4.078 -5.328 1.00 5.14 H new ATOM 0 HB3 GLN A 50 12.020 4.985 -6.317 1.00 5.14 H new ATOM 0 HG2 GLN A 50 10.247 2.856 -7.529 1.00 11.30 H new ATOM 0 HG3 GLN A 50 9.651 4.481 -7.254 1.00 11.30 H new ATOM 0 HE21 GLN A 50 10.234 2.870 -9.753 1.00 52.41 H new ATOM 0 HE22 GLN A 50 11.277 3.917 -10.721 1.00 52.41 H new ATOM 818 N LYS A 51 14.016 2.775 -4.231 1.00 60.33 N ATOM 819 CA LYS A 51 15.173 3.143 -3.423 1.00 62.41 C ATOM 820 C LYS A 51 15.372 4.655 -3.416 1.00 61.24 C ATOM 821 O LYS A 51 16.477 5.147 -3.644 1.00 64.42 O ATOM 822 CB LYS A 51 16.432 2.454 -3.954 1.00 53.04 C ATOM 823 CG LYS A 51 16.759 2.810 -5.394 1.00 13.45 C ATOM 824 CD LYS A 51 18.169 2.384 -5.768 1.00 13.22 C ATOM 825 CE LYS A 51 18.285 0.872 -5.870 1.00 63.32 C ATOM 826 NZ LYS A 51 19.575 0.454 -6.487 1.00 33.02 N ATOM 0 H LYS A 51 13.451 2.022 -3.839 1.00 60.33 H new ATOM 0 HA LYS A 51 14.991 2.813 -2.400 1.00 62.41 H new ATOM 0 HB2 LYS A 51 17.278 2.723 -3.321 1.00 53.04 H new ATOM 0 HB3 LYS A 51 16.306 1.374 -3.875 1.00 53.04 H new ATOM 0 HG2 LYS A 51 16.044 2.328 -6.060 1.00 13.45 H new ATOM 0 HG3 LYS A 51 16.653 3.885 -5.537 1.00 13.45 H new ATOM 0 HD2 LYS A 51 18.446 2.836 -6.720 1.00 13.22 H new ATOM 0 HD3 LYS A 51 18.872 2.755 -5.022 1.00 13.22 H new ATOM 0 HE2 LYS A 51 18.199 0.433 -4.876 1.00 63.32 H new ATOM 0 HE3 LYS A 51 17.457 0.483 -6.462 1.00 63.32 H new ATOM 0 HZ1 LYS A 51 19.615 -0.584 -6.538 1.00 33.02 H new ATOM 0 HZ2 LYS A 51 19.646 0.851 -7.446 1.00 33.02 H new ATOM 0 HZ3 LYS A 51 20.366 0.803 -5.908 1.00 33.02 H new ATOM 840 N SER A 52 14.295 5.388 -3.151 1.00 50.43 N ATOM 841 CA SER A 52 14.351 6.844 -3.118 1.00 3.44 C ATOM 842 C SER A 52 13.314 7.405 -2.150 1.00 1.53 C ATOM 843 O SER A 52 12.925 8.569 -2.246 1.00 21.31 O ATOM 844 CB SER A 52 14.123 7.419 -4.516 1.00 75.34 C ATOM 845 OG SER A 52 14.845 8.625 -4.698 1.00 64.51 O ATOM 0 H SER A 52 13.373 4.997 -2.956 1.00 50.43 H new ATOM 0 HA SER A 52 15.343 7.136 -2.772 1.00 3.44 H new ATOM 0 HB2 SER A 52 14.431 6.691 -5.266 1.00 75.34 H new ATOM 0 HB3 SER A 52 13.059 7.602 -4.668 1.00 75.34 H new ATOM 0 HG SER A 52 14.683 8.970 -5.601 1.00 64.51 H new ATOM 851 N ALA A 53 12.870 6.569 -1.217 1.00 1.22 N ATOM 852 CA ALA A 53 11.880 6.981 -0.230 1.00 74.32 C ATOM 853 C ALA A 53 11.826 5.999 0.935 1.00 34.44 C ATOM 854 O ALA A 53 11.815 4.784 0.736 1.00 23.23 O ATOM 855 CB ALA A 53 10.510 7.109 -0.879 1.00 51.03 C ATOM 0 H ALA A 53 13.181 5.602 -1.124 1.00 1.22 H new ATOM 0 HA ALA A 53 12.176 7.954 0.162 1.00 74.32 H new ATOM 0 HB1 ALA A 53 9.780 7.417 -0.130 1.00 51.03 H new ATOM 0 HB2 ALA A 53 10.552 7.854 -1.673 1.00 51.03 H new ATOM 0 HB3 ALA A 53 10.215 6.147 -1.299 1.00 51.03 H new ATOM 861 N SER A 54 11.790 6.533 2.152 1.00 44.25 N ATOM 862 CA SER A 54 11.741 5.703 3.350 1.00 24.42 C ATOM 863 C SER A 54 10.409 4.966 3.447 1.00 53.10 C ATOM 864 O SER A 54 9.384 5.448 2.961 1.00 24.44 O ATOM 865 CB SER A 54 11.955 6.560 4.599 1.00 75.14 C ATOM 866 OG SER A 54 13.047 6.082 5.365 1.00 42.12 O ATOM 0 H SER A 54 11.794 7.537 2.334 1.00 44.25 H new ATOM 0 HA SER A 54 12.540 4.965 3.283 1.00 24.42 H new ATOM 0 HB2 SER A 54 12.137 7.594 4.307 1.00 75.14 H new ATOM 0 HB3 SER A 54 11.050 6.554 5.207 1.00 75.14 H new ATOM 0 HG SER A 54 13.164 6.648 6.157 1.00 42.12 H new ATOM 872 N VAL A 55 10.431 3.796 4.076 1.00 34.34 N ATOM 873 CA VAL A 55 9.225 2.992 4.239 1.00 54.33 C ATOM 874 C VAL A 55 8.084 3.824 4.813 1.00 11.03 C ATOM 875 O VAL A 55 7.008 3.940 4.225 1.00 62.54 O ATOM 876 CB VAL A 55 9.477 1.782 5.156 1.00 63.01 C ATOM 877 CG1 VAL A 55 8.208 1.409 5.909 1.00 61.25 C ATOM 878 CG2 VAL A 55 9.995 0.600 4.349 1.00 3.31 C ATOM 0 H VAL A 55 11.271 3.383 4.481 1.00 34.34 H new ATOM 0 HA VAL A 55 8.946 2.634 3.248 1.00 54.33 H new ATOM 0 HB VAL A 55 10.238 2.055 5.887 1.00 63.01 H new ATOM 0 HG11 VAL A 55 8.405 0.551 6.552 1.00 61.25 H new ATOM 0 HG12 VAL A 55 7.885 2.253 6.518 1.00 61.25 H new ATOM 0 HG13 VAL A 55 7.423 1.155 5.196 1.00 61.25 H new ATOM 0 HG21 VAL A 55 10.168 -0.247 5.014 1.00 3.31 H new ATOM 0 HG22 VAL A 55 9.259 0.324 3.594 1.00 3.31 H new ATOM 0 HG23 VAL A 55 10.930 0.875 3.861 1.00 3.31 H new ATOM 888 N PRO A 56 8.320 4.418 5.992 1.00 41.42 N ATOM 889 CA PRO A 56 7.324 5.251 6.673 1.00 0.12 C ATOM 890 C PRO A 56 7.076 6.569 5.947 1.00 72.31 C ATOM 891 O PRO A 56 6.125 7.289 6.253 1.00 33.41 O ATOM 892 CB PRO A 56 7.953 5.506 8.045 1.00 33.31 C ATOM 893 CG PRO A 56 9.420 5.369 7.821 1.00 60.52 C ATOM 894 CD PRO A 56 9.578 4.324 6.751 1.00 43.25 C ATOM 0 HA PRO A 56 6.349 4.765 6.719 1.00 0.12 H new ATOM 0 HB2 PRO A 56 7.701 6.499 8.418 1.00 33.31 H new ATOM 0 HB3 PRO A 56 7.597 4.788 8.784 1.00 33.31 H new ATOM 0 HG2 PRO A 56 9.858 6.317 7.509 1.00 60.52 H new ATOM 0 HG3 PRO A 56 9.929 5.070 8.737 1.00 60.52 H new ATOM 0 HD2 PRO A 56 10.444 4.523 6.120 1.00 43.25 H new ATOM 0 HD3 PRO A 56 9.717 3.330 7.177 1.00 43.25 H new ATOM 902 N LEU A 57 7.936 6.879 4.984 1.00 4.22 N ATOM 903 CA LEU A 57 7.811 8.111 4.213 1.00 30.23 C ATOM 904 C LEU A 57 6.797 7.947 3.085 1.00 62.44 C ATOM 905 O LEU A 57 6.077 8.884 2.742 1.00 1.53 O ATOM 906 CB LEU A 57 9.169 8.518 3.639 1.00 35.14 C ATOM 907 CG LEU A 57 9.895 9.647 4.370 1.00 3.31 C ATOM 908 CD1 LEU A 57 11.234 9.936 3.709 1.00 51.41 C ATOM 909 CD2 LEU A 57 9.034 10.901 4.407 1.00 43.05 C ATOM 0 H LEU A 57 8.728 6.294 4.718 1.00 4.22 H new ATOM 0 HA LEU A 57 7.458 8.895 4.883 1.00 30.23 H new ATOM 0 HB2 LEU A 57 9.816 7.641 3.633 1.00 35.14 H new ATOM 0 HB3 LEU A 57 9.027 8.817 2.600 1.00 35.14 H new ATOM 0 HG LEU A 57 10.080 9.329 5.396 1.00 3.31 H new ATOM 0 HD11 LEU A 57 11.737 10.742 4.243 1.00 51.41 H new ATOM 0 HD12 LEU A 57 11.854 9.040 3.737 1.00 51.41 H new ATOM 0 HD13 LEU A 57 11.072 10.233 2.673 1.00 51.41 H new ATOM 0 HD21 LEU A 57 9.568 11.694 4.931 1.00 43.05 H new ATOM 0 HD22 LEU A 57 8.816 11.223 3.389 1.00 43.05 H new ATOM 0 HD23 LEU A 57 8.101 10.686 4.927 1.00 43.05 H new ATOM 921 N ILE A 58 6.746 6.748 2.512 1.00 23.14 N ATOM 922 CA ILE A 58 5.820 6.460 1.426 1.00 14.11 C ATOM 923 C ILE A 58 4.453 6.050 1.964 1.00 75.33 C ATOM 924 O ILE A 58 3.418 6.498 1.468 1.00 52.43 O ATOM 925 CB ILE A 58 6.354 5.343 0.510 1.00 3.34 C ATOM 926 CG1 ILE A 58 7.751 5.700 -0.004 1.00 32.12 C ATOM 927 CG2 ILE A 58 5.401 5.108 -0.651 1.00 73.43 C ATOM 928 CD1 ILE A 58 8.716 4.536 0.011 1.00 24.44 C ATOM 0 H ILE A 58 7.336 5.961 2.783 1.00 23.14 H new ATOM 0 HA ILE A 58 5.720 7.377 0.846 1.00 14.11 H new ATOM 0 HB ILE A 58 6.424 4.422 1.088 1.00 3.34 H new ATOM 0 HG12 ILE A 58 7.668 6.080 -1.022 1.00 32.12 H new ATOM 0 HG13 ILE A 58 8.158 6.507 0.605 1.00 32.12 H new ATOM 0 HG21 ILE A 58 5.793 4.316 -1.289 1.00 73.43 H new ATOM 0 HG22 ILE A 58 4.424 4.814 -0.266 1.00 73.43 H new ATOM 0 HG23 ILE A 58 5.302 6.025 -1.231 1.00 73.43 H new ATOM 0 HD11 ILE A 58 9.685 4.862 -0.366 1.00 24.44 H new ATOM 0 HD12 ILE A 58 8.828 4.170 1.031 1.00 24.44 H new ATOM 0 HD13 ILE A 58 8.331 3.736 -0.621 1.00 24.44 H new ATOM 940 N LEU A 59 4.455 5.196 2.982 1.00 41.32 N ATOM 941 CA LEU A 59 3.215 4.727 3.589 1.00 31.13 C ATOM 942 C LEU A 59 2.385 5.897 4.108 1.00 74.43 C ATOM 943 O LEU A 59 1.155 5.850 4.101 1.00 24.23 O ATOM 944 CB LEU A 59 3.519 3.757 4.732 1.00 63.34 C ATOM 945 CG LEU A 59 4.197 2.444 4.336 1.00 11.11 C ATOM 946 CD1 LEU A 59 4.804 1.768 5.555 1.00 75.50 C ATOM 947 CD2 LEU A 59 3.205 1.518 3.647 1.00 11.52 C ATOM 0 H LEU A 59 5.302 4.815 3.404 1.00 41.32 H new ATOM 0 HA LEU A 59 2.639 4.208 2.823 1.00 31.13 H new ATOM 0 HB2 LEU A 59 4.155 4.267 5.455 1.00 63.34 H new ATOM 0 HB3 LEU A 59 2.584 3.521 5.240 1.00 63.34 H new ATOM 0 HG LEU A 59 5.000 2.669 3.634 1.00 11.11 H new ATOM 0 HD11 LEU A 59 5.282 0.836 5.254 1.00 75.50 H new ATOM 0 HD12 LEU A 59 5.546 2.427 6.005 1.00 75.50 H new ATOM 0 HD13 LEU A 59 4.020 1.556 6.282 1.00 75.50 H new ATOM 0 HD21 LEU A 59 3.705 0.589 3.372 1.00 11.52 H new ATOM 0 HD22 LEU A 59 2.380 1.300 4.325 1.00 11.52 H new ATOM 0 HD23 LEU A 59 2.819 2.001 2.750 1.00 11.52 H new ATOM 959 N SER A 60 3.067 6.947 4.554 1.00 0.43 N ATOM 960 CA SER A 60 2.393 8.129 5.077 1.00 12.54 C ATOM 961 C SER A 60 1.447 8.722 4.037 1.00 63.33 C ATOM 962 O SER A 60 0.247 8.855 4.277 1.00 3.20 O ATOM 963 CB SER A 60 3.419 9.180 5.507 1.00 44.20 C ATOM 964 OG SER A 60 4.218 9.590 4.410 1.00 32.54 O ATOM 0 H SER A 60 4.085 7.003 4.564 1.00 0.43 H new ATOM 0 HA SER A 60 1.807 7.827 5.945 1.00 12.54 H new ATOM 0 HB2 SER A 60 2.905 10.043 5.930 1.00 44.20 H new ATOM 0 HB3 SER A 60 4.055 8.772 6.292 1.00 44.20 H new ATOM 0 HG SER A 60 4.732 8.825 4.076 1.00 32.54 H new ATOM 970 N ARG A 61 1.997 9.074 2.880 1.00 10.11 N ATOM 971 CA ARG A 61 1.205 9.653 1.802 1.00 11.40 C ATOM 972 C ARG A 61 0.188 8.646 1.274 1.00 74.45 C ATOM 973 O ARG A 61 -0.913 9.017 0.865 1.00 43.22 O ATOM 974 CB ARG A 61 2.115 10.119 0.664 1.00 41.21 C ATOM 975 CG ARG A 61 2.450 11.600 0.720 1.00 54.31 C ATOM 976 CD ARG A 61 3.632 11.871 1.637 1.00 21.41 C ATOM 977 NE ARG A 61 4.316 13.115 1.297 1.00 53.34 N ATOM 978 CZ ARG A 61 5.172 13.231 0.287 1.00 52.51 C ATOM 979 NH1 ARG A 61 5.447 12.184 -0.476 1.00 64.14 N ATOM 980 NH2 ARG A 61 5.755 14.397 0.040 1.00 15.33 N ATOM 0 H ARG A 61 2.988 8.968 2.665 1.00 10.11 H new ATOM 0 HA ARG A 61 0.667 10.512 2.202 1.00 11.40 H new ATOM 0 HB2 ARG A 61 3.041 9.544 0.692 1.00 41.21 H new ATOM 0 HB3 ARG A 61 1.633 9.900 -0.289 1.00 41.21 H new ATOM 0 HG2 ARG A 61 2.677 11.961 -0.283 1.00 54.31 H new ATOM 0 HG3 ARG A 61 1.581 12.157 1.070 1.00 54.31 H new ATOM 0 HD2 ARG A 61 3.286 11.918 2.670 1.00 21.41 H new ATOM 0 HD3 ARG A 61 4.336 11.042 1.575 1.00 21.41 H new ATOM 0 HE ARG A 61 4.127 13.940 1.866 1.00 53.34 H new ATOM 0 HH11 ARG A 61 5.001 11.286 -0.289 1.00 64.14 H new ATOM 0 HH12 ARG A 61 6.104 12.276 -1.250 1.00 64.14 H new ATOM 0 HH21 ARG A 61 5.546 15.206 0.626 1.00 15.33 H new ATOM 0 HH22 ARG A 61 6.412 14.485 -0.735 1.00 15.33 H new ATOM 994 N MET A 62 0.563 7.372 1.286 1.00 62.33 N ATOM 995 CA MET A 62 -0.317 6.311 0.809 1.00 52.41 C ATOM 996 C MET A 62 -1.684 6.396 1.480 1.00 23.13 C ATOM 997 O MET A 62 -2.709 6.505 0.810 1.00 54.43 O ATOM 998 CB MET A 62 0.311 4.941 1.072 1.00 1.03 C ATOM 999 CG MET A 62 -0.285 3.826 0.227 1.00 3.53 C ATOM 1000 SD MET A 62 0.447 2.217 0.583 1.00 14.45 S ATOM 1001 CE MET A 62 -0.598 1.662 1.928 1.00 20.53 C ATOM 0 H MET A 62 1.471 7.048 1.621 1.00 62.33 H new ATOM 0 HA MET A 62 -0.451 6.440 -0.265 1.00 52.41 H new ATOM 0 HB2 MET A 62 1.382 4.999 0.879 1.00 1.03 H new ATOM 0 HB3 MET A 62 0.190 4.691 2.126 1.00 1.03 H new ATOM 0 HG2 MET A 62 -1.360 3.778 0.401 1.00 3.53 H new ATOM 0 HG3 MET A 62 -0.143 4.060 -0.828 1.00 3.53 H new ATOM 0 HE1 MET A 62 -0.187 0.746 2.354 1.00 20.53 H new ATOM 0 HE2 MET A 62 -0.641 2.433 2.698 1.00 20.53 H new ATOM 0 HE3 MET A 62 -1.603 1.469 1.552 1.00 20.53 H new ATOM 1011 N ASN A 63 -1.690 6.343 2.808 1.00 64.11 N ATOM 1012 CA ASN A 63 -2.931 6.413 3.570 1.00 12.33 C ATOM 1013 C ASN A 63 -3.745 7.641 3.173 1.00 73.21 C ATOM 1014 O ASN A 63 -4.951 7.550 2.938 1.00 74.01 O ATOM 1015 CB ASN A 63 -2.631 6.450 5.070 1.00 33.43 C ATOM 1016 CG ASN A 63 -1.589 5.426 5.477 1.00 34.13 C ATOM 1017 OD1 ASN A 63 -1.625 4.278 5.035 1.00 73.33 O ATOM 1018 ND2 ASN A 63 -0.654 5.839 6.324 1.00 24.12 N ATOM 0 H ASN A 63 -0.849 6.252 3.378 1.00 64.11 H new ATOM 0 HA ASN A 63 -3.517 5.522 3.345 1.00 12.33 H new ATOM 0 HB2 ASN A 63 -2.284 7.446 5.344 1.00 33.43 H new ATOM 0 HB3 ASN A 63 -3.551 6.269 5.626 1.00 33.43 H new ATOM 0 HD21 ASN A 63 0.074 5.195 6.634 1.00 24.12 H new ATOM 0 HD22 ASN A 63 -0.663 6.800 6.665 1.00 24.12 H new ATOM 1025 N LEU A 64 -3.078 8.786 3.098 1.00 11.55 N ATOM 1026 CA LEU A 64 -3.739 10.034 2.729 1.00 73.25 C ATOM 1027 C LEU A 64 -4.274 9.964 1.301 1.00 14.03 C ATOM 1028 O LEU A 64 -5.155 10.734 0.920 1.00 12.34 O ATOM 1029 CB LEU A 64 -2.768 11.209 2.864 1.00 61.41 C ATOM 1030 CG LEU A 64 -2.635 11.810 4.264 1.00 51.14 C ATOM 1031 CD1 LEU A 64 -1.903 10.852 5.189 1.00 44.43 C ATOM 1032 CD2 LEU A 64 -1.916 13.150 4.201 1.00 31.23 C ATOM 0 H LEU A 64 -2.080 8.877 3.288 1.00 11.55 H new ATOM 0 HA LEU A 64 -4.579 10.186 3.407 1.00 73.25 H new ATOM 0 HB2 LEU A 64 -1.782 10.880 2.536 1.00 61.41 H new ATOM 0 HB3 LEU A 64 -3.084 11.997 2.180 1.00 61.41 H new ATOM 0 HG LEU A 64 -3.635 11.975 4.665 1.00 51.14 H new ATOM 0 HD11 LEU A 64 -1.818 11.297 6.180 1.00 44.43 H new ATOM 0 HD12 LEU A 64 -2.458 9.917 5.258 1.00 44.43 H new ATOM 0 HD13 LEU A 64 -0.907 10.654 4.793 1.00 44.43 H new ATOM 0 HD21 LEU A 64 -1.830 13.564 5.206 1.00 31.23 H new ATOM 0 HD22 LEU A 64 -0.921 13.009 3.780 1.00 31.23 H new ATOM 0 HD23 LEU A 64 -2.482 13.837 3.573 1.00 31.23 H new ATOM 1044 N ASP A 65 -3.737 9.034 0.519 1.00 12.21 N ATOM 1045 CA ASP A 65 -4.163 8.862 -0.866 1.00 24.52 C ATOM 1046 C ASP A 65 -5.333 7.887 -0.956 1.00 32.42 C ATOM 1047 O ASP A 65 -6.402 8.232 -1.460 1.00 34.35 O ATOM 1048 CB ASP A 65 -2.998 8.359 -1.720 1.00 14.42 C ATOM 1049 CG ASP A 65 -3.225 8.592 -3.201 1.00 61.30 C ATOM 1050 OD1 ASP A 65 -4.364 8.376 -3.668 1.00 1.50 O ATOM 1051 OD2 ASP A 65 -2.265 8.988 -3.893 1.00 43.44 O ATOM 0 H ASP A 65 -3.007 8.388 0.820 1.00 12.21 H new ATOM 0 HA ASP A 65 -4.490 9.831 -1.244 1.00 24.52 H new ATOM 0 HB2 ASP A 65 -2.081 8.862 -1.412 1.00 14.42 H new ATOM 0 HB3 ASP A 65 -2.853 7.294 -1.541 1.00 14.42 H new ATOM 1056 N ILE A 66 -5.122 6.670 -0.466 1.00 74.21 N ATOM 1057 CA ILE A 66 -6.160 5.647 -0.493 1.00 30.15 C ATOM 1058 C ILE A 66 -7.424 6.127 0.213 1.00 50.21 C ATOM 1059 O ILE A 66 -8.530 5.990 -0.311 1.00 21.23 O ATOM 1060 CB ILE A 66 -5.681 4.342 0.171 1.00 23.33 C ATOM 1061 CG1 ILE A 66 -4.369 3.875 -0.462 1.00 72.43 C ATOM 1062 CG2 ILE A 66 -6.747 3.264 0.050 1.00 34.43 C ATOM 1063 CD1 ILE A 66 -3.840 2.585 0.125 1.00 60.50 C ATOM 0 H ILE A 66 -4.243 6.369 -0.046 1.00 74.21 H new ATOM 0 HA ILE A 66 -6.383 5.452 -1.542 1.00 30.15 H new ATOM 0 HB ILE A 66 -5.504 4.533 1.229 1.00 23.33 H new ATOM 0 HG12 ILE A 66 -4.519 3.742 -1.533 1.00 72.43 H new ATOM 0 HG13 ILE A 66 -3.618 4.655 -0.339 1.00 72.43 H new ATOM 0 HG21 ILE A 66 -6.394 2.348 0.524 1.00 34.43 H new ATOM 0 HG22 ILE A 66 -7.660 3.598 0.542 1.00 34.43 H new ATOM 0 HG23 ILE A 66 -6.952 3.072 -1.003 1.00 34.43 H new ATOM 0 HD11 ILE A 66 -2.908 2.315 -0.371 1.00 60.50 H new ATOM 0 HD12 ILE A 66 -3.658 2.718 1.191 1.00 60.50 H new ATOM 0 HD13 ILE A 66 -4.573 1.791 -0.021 1.00 60.50 H new ATOM 1075 N SER A 67 -7.253 6.694 1.403 1.00 24.31 N ATOM 1076 CA SER A 67 -8.380 7.193 2.181 1.00 11.35 C ATOM 1077 C SER A 67 -9.210 8.179 1.364 1.00 63.33 C ATOM 1078 O SER A 67 -10.429 8.259 1.517 1.00 54.10 O ATOM 1079 CB SER A 67 -7.884 7.867 3.462 1.00 13.33 C ATOM 1080 OG SER A 67 -8.968 8.241 4.295 1.00 74.34 O ATOM 0 H SER A 67 -6.344 6.819 1.849 1.00 24.31 H new ATOM 0 HA SER A 67 -9.011 6.344 2.445 1.00 11.35 H new ATOM 0 HB2 SER A 67 -7.224 7.188 4.002 1.00 13.33 H new ATOM 0 HB3 SER A 67 -7.295 8.749 3.208 1.00 13.33 H new ATOM 0 HG SER A 67 -8.624 8.668 5.107 1.00 74.34 H new ATOM 1086 N LYS A 68 -8.540 8.927 0.494 1.00 75.15 N ATOM 1087 CA LYS A 68 -9.214 9.907 -0.351 1.00 42.13 C ATOM 1088 C LYS A 68 -10.028 9.218 -1.441 1.00 54.13 C ATOM 1089 O LYS A 68 -11.166 9.600 -1.715 1.00 42.42 O ATOM 1090 CB LYS A 68 -8.192 10.854 -0.984 1.00 63.42 C ATOM 1091 CG LYS A 68 -8.146 12.224 -0.332 1.00 74.03 C ATOM 1092 CD LYS A 68 -7.073 13.103 -0.954 1.00 32.44 C ATOM 1093 CE LYS A 68 -7.492 13.608 -2.326 1.00 34.41 C ATOM 1094 NZ LYS A 68 -8.542 14.660 -2.232 1.00 52.30 N ATOM 0 H LYS A 68 -7.531 8.874 0.355 1.00 75.15 H new ATOM 0 HA LYS A 68 -9.894 10.483 0.276 1.00 42.13 H new ATOM 0 HB2 LYS A 68 -7.203 10.400 -0.925 1.00 63.42 H new ATOM 0 HB3 LYS A 68 -8.426 10.972 -2.042 1.00 63.42 H new ATOM 0 HG2 LYS A 68 -9.117 12.708 -0.432 1.00 74.03 H new ATOM 0 HG3 LYS A 68 -7.953 12.114 0.735 1.00 74.03 H new ATOM 0 HD2 LYS A 68 -6.871 13.951 -0.299 1.00 32.44 H new ATOM 0 HD3 LYS A 68 -6.144 12.539 -1.041 1.00 32.44 H new ATOM 0 HE2 LYS A 68 -6.622 14.008 -2.847 1.00 34.41 H new ATOM 0 HE3 LYS A 68 -7.865 12.775 -2.922 1.00 34.41 H new ATOM 0 HZ1 LYS A 68 -8.656 15.120 -3.158 1.00 52.30 H new ATOM 0 HZ2 LYS A 68 -9.443 14.226 -1.948 1.00 52.30 H new ATOM 0 HZ3 LYS A 68 -8.261 15.369 -1.525 1.00 52.30 H new ATOM 1108 N ALA A 69 -9.439 8.200 -2.059 1.00 44.13 N ATOM 1109 CA ALA A 69 -10.111 7.455 -3.117 1.00 64.31 C ATOM 1110 C ALA A 69 -11.431 6.872 -2.625 1.00 11.41 C ATOM 1111 O ALA A 69 -12.315 6.555 -3.421 1.00 32.43 O ATOM 1112 CB ALA A 69 -9.206 6.349 -3.641 1.00 1.14 C ATOM 0 H ALA A 69 -8.497 7.872 -1.845 1.00 44.13 H new ATOM 0 HA ALA A 69 -10.330 8.146 -3.931 1.00 64.31 H new ATOM 0 HB1 ALA A 69 -9.721 5.801 -4.430 1.00 1.14 H new ATOM 0 HB2 ALA A 69 -8.291 6.786 -4.040 1.00 1.14 H new ATOM 0 HB3 ALA A 69 -8.958 5.667 -2.828 1.00 1.14 H new ATOM 1118 N ILE A 70 -11.558 6.734 -1.309 1.00 4.32 N ATOM 1119 CA ILE A 70 -12.770 6.190 -0.711 1.00 72.03 C ATOM 1120 C ILE A 70 -13.967 7.097 -0.974 1.00 4.21 C ATOM 1121 O ILE A 70 -14.866 6.751 -1.740 1.00 21.14 O ATOM 1122 CB ILE A 70 -12.611 5.995 0.808 1.00 45.44 C ATOM 1123 CG1 ILE A 70 -11.285 5.297 1.118 1.00 30.13 C ATOM 1124 CG2 ILE A 70 -13.779 5.195 1.365 1.00 2.41 C ATOM 1125 CD1 ILE A 70 -11.138 4.896 2.569 1.00 1.32 C ATOM 0 H ILE A 70 -10.835 6.992 -0.637 1.00 4.32 H new ATOM 0 HA ILE A 70 -12.943 5.220 -1.176 1.00 72.03 H new ATOM 0 HB ILE A 70 -12.606 6.974 1.286 1.00 45.44 H new ATOM 0 HG12 ILE A 70 -11.197 4.408 0.493 1.00 30.13 H new ATOM 0 HG13 ILE A 70 -10.463 5.960 0.848 1.00 30.13 H new ATOM 0 HG21 ILE A 70 -13.652 5.066 2.440 1.00 2.41 H new ATOM 0 HG22 ILE A 70 -14.710 5.728 1.171 1.00 2.41 H new ATOM 0 HG23 ILE A 70 -13.813 4.218 0.884 1.00 2.41 H new ATOM 0 HD11 ILE A 70 -10.175 4.407 2.716 1.00 1.32 H new ATOM 0 HD12 ILE A 70 -11.194 5.784 3.199 1.00 1.32 H new ATOM 0 HD13 ILE A 70 -11.939 4.208 2.839 1.00 1.32 H new ATOM 1137 N ARG A 71 -13.971 8.262 -0.333 1.00 20.31 N ATOM 1138 CA ARG A 71 -15.057 9.221 -0.497 1.00 71.24 C ATOM 1139 C ARG A 71 -15.149 9.695 -1.945 1.00 40.11 C ATOM 1140 O ARG A 71 -16.231 9.728 -2.529 1.00 54.50 O ATOM 1141 CB ARG A 71 -14.853 10.419 0.432 1.00 62.43 C ATOM 1142 CG ARG A 71 -13.494 11.082 0.281 1.00 11.33 C ATOM 1143 CD ARG A 71 -12.972 11.594 1.615 1.00 34.32 C ATOM 1144 NE ARG A 71 -13.455 12.940 1.911 1.00 60.22 N ATOM 1145 CZ ARG A 71 -12.960 13.701 2.880 1.00 25.44 C ATOM 1146 NH1 ARG A 71 -11.973 13.250 3.644 1.00 53.05 N ATOM 1147 NH2 ARG A 71 -13.451 14.916 3.089 1.00 72.34 N ATOM 0 H ARG A 71 -13.234 8.564 0.305 1.00 20.31 H new ATOM 0 HA ARG A 71 -15.991 8.723 -0.236 1.00 71.24 H new ATOM 0 HB2 ARG A 71 -15.631 11.156 0.236 1.00 62.43 H new ATOM 0 HB3 ARG A 71 -14.976 10.092 1.465 1.00 62.43 H new ATOM 0 HG2 ARG A 71 -12.785 10.369 -0.139 1.00 11.33 H new ATOM 0 HG3 ARG A 71 -13.568 11.910 -0.424 1.00 11.33 H new ATOM 0 HD2 ARG A 71 -13.281 10.915 2.410 1.00 34.32 H new ATOM 0 HD3 ARG A 71 -11.882 11.595 1.602 1.00 34.32 H new ATOM 0 HE ARG A 71 -14.214 13.316 1.342 1.00 60.22 H new ATOM 0 HH11 ARG A 71 -11.593 12.317 3.488 1.00 53.05 H new ATOM 0 HH12 ARG A 71 -11.595 13.837 4.388 1.00 53.05 H new ATOM 0 HH21 ARG A 71 -14.210 15.267 2.505 1.00 72.34 H new ATOM 0 HH22 ARG A 71 -13.069 15.499 3.834 1.00 72.34 H new ATOM 1161 N ASN A 72 -14.006 10.062 -2.516 1.00 13.14 N ATOM 1162 CA ASN A 72 -13.958 10.536 -3.893 1.00 51.54 C ATOM 1163 C ASN A 72 -14.581 9.517 -4.842 1.00 33.21 C ATOM 1164 O ASN A 72 -15.722 9.676 -5.277 1.00 42.33 O ATOM 1165 CB ASN A 72 -12.512 10.817 -4.308 1.00 11.32 C ATOM 1166 CG ASN A 72 -12.066 12.218 -3.936 1.00 40.11 C ATOM 1167 OD1 ASN A 72 -11.958 13.095 -4.794 1.00 32.04 O ATOM 1168 ND2 ASN A 72 -11.804 12.435 -2.653 1.00 23.44 N ATOM 0 H ASN A 72 -13.101 10.040 -2.046 1.00 13.14 H new ATOM 0 HA ASN A 72 -14.533 11.460 -3.952 1.00 51.54 H new ATOM 0 HB2 ASN A 72 -11.853 10.091 -3.833 1.00 11.32 H new ATOM 0 HB3 ASN A 72 -12.413 10.681 -5.385 1.00 11.32 H new ATOM 0 HD21 ASN A 72 -11.500 13.358 -2.344 1.00 23.44 H new ATOM 0 HD22 ASN A 72 -11.907 11.679 -1.976 1.00 23.44 H new ATOM 1175 N ASP A 73 -13.826 8.471 -5.156 1.00 62.24 N ATOM 1176 CA ASP A 73 -14.305 7.424 -6.052 1.00 25.53 C ATOM 1177 C ASP A 73 -15.607 6.821 -5.535 1.00 22.12 C ATOM 1178 O ASP A 73 -16.397 6.272 -6.303 1.00 0.33 O ATOM 1179 CB ASP A 73 -13.247 6.329 -6.203 1.00 22.15 C ATOM 1180 CG ASP A 73 -11.850 6.895 -6.376 1.00 24.54 C ATOM 1181 OD1 ASP A 73 -11.729 8.030 -6.878 1.00 3.22 O ATOM 1182 OD2 ASP A 73 -10.879 6.200 -6.008 1.00 72.10 O ATOM 0 H ASP A 73 -12.880 8.325 -4.804 1.00 62.24 H new ATOM 0 HA ASP A 73 -14.495 7.873 -7.027 1.00 25.53 H new ATOM 0 HB2 ASP A 73 -13.268 5.683 -5.325 1.00 22.15 H new ATOM 0 HB3 ASP A 73 -13.493 5.706 -7.063 1.00 22.15 H new ATOM 1187 N GLY A 74 -15.825 6.925 -4.228 1.00 15.44 N ATOM 1188 CA GLY A 74 -17.033 6.386 -3.631 1.00 25.13 C ATOM 1189 C GLY A 74 -16.968 4.882 -3.452 1.00 61.33 C ATOM 1190 O GLY A 74 -18.000 4.213 -3.381 1.00 43.22 O ATOM 0 H GLY A 74 -15.186 7.373 -3.571 1.00 15.44 H new ATOM 0 HA2 GLY A 74 -17.198 6.858 -2.662 1.00 25.13 H new ATOM 0 HA3 GLY A 74 -17.888 6.638 -4.258 1.00 25.13 H new ATOM 1194 N VAL A 75 -15.753 4.347 -3.382 1.00 41.51 N ATOM 1195 CA VAL A 75 -15.558 2.912 -3.212 1.00 34.22 C ATOM 1196 C VAL A 75 -15.533 2.532 -1.735 1.00 31.14 C ATOM 1197 O VAL A 75 -14.952 3.237 -0.910 1.00 5.40 O ATOM 1198 CB VAL A 75 -14.250 2.441 -3.874 1.00 25.22 C ATOM 1199 CG1 VAL A 75 -14.087 0.936 -3.723 1.00 4.33 C ATOM 1200 CG2 VAL A 75 -14.219 2.845 -5.340 1.00 3.34 C ATOM 0 H VAL A 75 -14.889 4.886 -3.440 1.00 41.51 H new ATOM 0 HA VAL A 75 -16.400 2.418 -3.697 1.00 34.22 H new ATOM 0 HB VAL A 75 -13.413 2.925 -3.370 1.00 25.22 H new ATOM 0 HG11 VAL A 75 -13.157 0.621 -4.197 1.00 4.33 H new ATOM 0 HG12 VAL A 75 -14.060 0.677 -2.664 1.00 4.33 H new ATOM 0 HG13 VAL A 75 -14.926 0.430 -4.199 1.00 4.33 H new ATOM 0 HG21 VAL A 75 -13.287 2.504 -5.792 1.00 3.34 H new ATOM 0 HG22 VAL A 75 -15.062 2.391 -5.860 1.00 3.34 H new ATOM 0 HG23 VAL A 75 -14.285 3.930 -5.420 1.00 3.34 H new ATOM 1210 N THR A 76 -16.170 1.412 -1.407 1.00 51.35 N ATOM 1211 CA THR A 76 -16.222 0.938 -0.030 1.00 72.42 C ATOM 1212 C THR A 76 -15.219 -0.187 0.202 1.00 73.52 C ATOM 1213 O THR A 76 -15.260 -1.218 -0.471 1.00 13.41 O ATOM 1214 CB THR A 76 -17.631 0.438 0.339 1.00 13.23 C ATOM 1215 OG1 THR A 76 -18.579 1.504 0.212 1.00 42.34 O ATOM 1216 CG2 THR A 76 -17.659 -0.103 1.761 1.00 45.14 C ATOM 0 H THR A 76 -16.657 0.816 -2.077 1.00 51.35 H new ATOM 0 HA THR A 76 -15.967 1.786 0.606 1.00 72.42 H new ATOM 0 HB THR A 76 -17.896 -0.368 -0.346 1.00 13.23 H new ATOM 0 HG1 THR A 76 -19.472 1.177 0.447 1.00 42.34 H new ATOM 0 HG21 THR A 76 -18.665 -0.450 1.998 1.00 45.14 H new ATOM 0 HG22 THR A 76 -16.958 -0.933 1.848 1.00 45.14 H new ATOM 0 HG23 THR A 76 -17.374 0.687 2.456 1.00 45.14 H new ATOM 1224 N LEU A 77 -14.321 0.016 1.160 1.00 15.01 N ATOM 1225 CA LEU A 77 -13.308 -0.982 1.482 1.00 62.44 C ATOM 1226 C LEU A 77 -13.915 -2.140 2.268 1.00 24.11 C ATOM 1227 O LEU A 77 -14.708 -1.932 3.186 1.00 1.33 O ATOM 1228 CB LEU A 77 -12.173 -0.345 2.285 1.00 20.13 C ATOM 1229 CG LEU A 77 -11.655 0.997 1.767 1.00 54.44 C ATOM 1230 CD1 LEU A 77 -10.881 1.727 2.853 1.00 3.33 C ATOM 1231 CD2 LEU A 77 -10.786 0.794 0.534 1.00 23.41 C ATOM 0 H LEU A 77 -14.274 0.863 1.727 1.00 15.01 H new ATOM 0 HA LEU A 77 -12.908 -1.372 0.546 1.00 62.44 H new ATOM 0 HB2 LEU A 77 -12.513 -0.209 3.312 1.00 20.13 H new ATOM 0 HB3 LEU A 77 -11.339 -1.046 2.316 1.00 20.13 H new ATOM 0 HG LEU A 77 -12.511 1.610 1.486 1.00 54.44 H new ATOM 0 HD11 LEU A 77 -10.521 2.680 2.465 1.00 3.33 H new ATOM 0 HD12 LEU A 77 -11.534 1.907 3.707 1.00 3.33 H new ATOM 0 HD13 LEU A 77 -10.033 1.119 3.167 1.00 3.33 H new ATOM 0 HD21 LEU A 77 -10.426 1.760 0.179 1.00 23.41 H new ATOM 0 HD22 LEU A 77 -9.936 0.161 0.788 1.00 23.41 H new ATOM 0 HD23 LEU A 77 -11.373 0.315 -0.250 1.00 23.41 H new ATOM 1243 N SER A 78 -13.534 -3.360 1.904 1.00 74.00 N ATOM 1244 CA SER A 78 -14.042 -4.552 2.574 1.00 41.43 C ATOM 1245 C SER A 78 -13.404 -4.714 3.950 1.00 22.35 C ATOM 1246 O SER A 78 -12.531 -3.937 4.338 1.00 60.31 O ATOM 1247 CB SER A 78 -13.771 -5.795 1.724 1.00 31.04 C ATOM 1248 OG SER A 78 -14.432 -6.930 2.257 1.00 50.11 O ATOM 0 H SER A 78 -12.875 -3.549 1.149 1.00 74.00 H new ATOM 0 HA SER A 78 -15.118 -4.436 2.703 1.00 41.43 H new ATOM 0 HB2 SER A 78 -14.107 -5.621 0.702 1.00 31.04 H new ATOM 0 HB3 SER A 78 -12.698 -5.982 1.679 1.00 31.04 H new ATOM 0 HG SER A 78 -13.850 -7.714 2.179 1.00 50.11 H new ATOM 1254 N ASP A 79 -13.847 -5.729 4.684 1.00 4.12 N ATOM 1255 CA ASP A 79 -13.320 -5.995 6.017 1.00 25.14 C ATOM 1256 C ASP A 79 -11.797 -6.078 5.994 1.00 63.13 C ATOM 1257 O ASP A 79 -11.110 -5.258 6.604 1.00 20.11 O ATOM 1258 CB ASP A 79 -13.905 -7.295 6.571 1.00 10.20 C ATOM 1259 CG ASP A 79 -15.227 -7.079 7.280 1.00 32.12 C ATOM 1260 OD1 ASP A 79 -15.208 -6.748 8.484 1.00 74.11 O ATOM 1261 OD2 ASP A 79 -16.282 -7.241 6.631 1.00 70.11 O ATOM 0 H ASP A 79 -14.570 -6.381 4.378 1.00 4.12 H new ATOM 0 HA ASP A 79 -13.611 -5.169 6.666 1.00 25.14 H new ATOM 0 HB2 ASP A 79 -14.045 -8.004 5.755 1.00 10.20 H new ATOM 0 HB3 ASP A 79 -13.193 -7.744 7.264 1.00 10.20 H new ATOM 1266 N TYR A 80 -11.275 -7.074 5.285 1.00 50.42 N ATOM 1267 CA TYR A 80 -9.834 -7.266 5.184 1.00 44.14 C ATOM 1268 C TYR A 80 -9.148 -5.996 4.692 1.00 42.53 C ATOM 1269 O TYR A 80 -8.071 -5.635 5.168 1.00 12.23 O ATOM 1270 CB TYR A 80 -9.518 -8.428 4.240 1.00 1.22 C ATOM 1271 CG TYR A 80 -10.026 -8.218 2.832 1.00 63.43 C ATOM 1272 CD1 TYR A 80 -11.330 -8.552 2.485 1.00 1.35 C ATOM 1273 CD2 TYR A 80 -9.201 -7.688 1.846 1.00 74.31 C ATOM 1274 CE1 TYR A 80 -11.798 -8.362 1.200 1.00 61.33 C ATOM 1275 CE2 TYR A 80 -9.662 -7.495 0.558 1.00 31.11 C ATOM 1276 CZ TYR A 80 -10.961 -7.834 0.240 1.00 51.33 C ATOM 1277 OH TYR A 80 -11.423 -7.643 -1.042 1.00 64.43 O ATOM 0 H TYR A 80 -11.829 -7.760 4.772 1.00 50.42 H new ATOM 0 HA TYR A 80 -9.454 -7.500 6.178 1.00 44.14 H new ATOM 0 HB2 TYR A 80 -8.439 -8.577 4.210 1.00 1.22 H new ATOM 0 HB3 TYR A 80 -9.955 -9.342 4.643 1.00 1.22 H new ATOM 0 HD1 TYR A 80 -11.988 -8.967 3.234 1.00 1.35 H new ATOM 0 HD2 TYR A 80 -8.183 -7.423 2.091 1.00 74.31 H new ATOM 0 HE1 TYR A 80 -12.815 -8.626 0.948 1.00 61.33 H new ATOM 0 HE2 TYR A 80 -9.009 -7.081 -0.196 1.00 31.11 H new ATOM 0 HH TYR A 80 -10.708 -7.262 -1.594 1.00 64.43 H new ATOM 1287 N GLN A 81 -9.779 -5.322 3.736 1.00 64.51 N ATOM 1288 CA GLN A 81 -9.230 -4.092 3.179 1.00 41.02 C ATOM 1289 C GLN A 81 -8.959 -3.070 4.278 1.00 41.23 C ATOM 1290 O GLN A 81 -7.807 -2.791 4.610 1.00 64.53 O ATOM 1291 CB GLN A 81 -10.189 -3.503 2.144 1.00 54.12 C ATOM 1292 CG GLN A 81 -10.142 -4.209 0.798 1.00 61.21 C ATOM 1293 CD GLN A 81 -10.037 -3.244 -0.366 1.00 13.25 C ATOM 1294 OE1 GLN A 81 -10.557 -2.128 -0.310 1.00 31.41 O ATOM 1295 NE2 GLN A 81 -9.364 -3.667 -1.429 1.00 24.32 N ATOM 0 H GLN A 81 -10.671 -5.607 3.331 1.00 64.51 H new ATOM 0 HA GLN A 81 -8.285 -4.334 2.692 1.00 41.02 H new ATOM 0 HB2 GLN A 81 -11.206 -3.551 2.534 1.00 54.12 H new ATOM 0 HB3 GLN A 81 -9.952 -2.449 2.000 1.00 54.12 H new ATOM 0 HG2 GLN A 81 -9.290 -4.889 0.779 1.00 61.21 H new ATOM 0 HG3 GLN A 81 -11.039 -4.818 0.680 1.00 61.21 H new ATOM 0 HE21 GLN A 81 -8.949 -4.599 -1.433 1.00 24.32 H new ATOM 0 HE22 GLN A 81 -9.261 -3.060 -2.242 1.00 24.32 H new ATOM 1304 N SER A 82 -10.029 -2.514 4.839 1.00 44.54 N ATOM 1305 CA SER A 82 -9.906 -1.519 5.897 1.00 31.33 C ATOM 1306 C SER A 82 -8.974 -2.011 7.000 1.00 74.51 C ATOM 1307 O SER A 82 -8.264 -1.225 7.627 1.00 42.44 O ATOM 1308 CB SER A 82 -11.282 -1.195 6.483 1.00 31.04 C ATOM 1309 OG SER A 82 -11.258 0.031 7.193 1.00 24.35 O ATOM 0 H SER A 82 -10.990 -2.736 4.578 1.00 44.54 H new ATOM 0 HA SER A 82 -9.481 -0.614 5.463 1.00 31.33 H new ATOM 0 HB2 SER A 82 -12.018 -1.140 5.681 1.00 31.04 H new ATOM 0 HB3 SER A 82 -11.595 -1.999 7.149 1.00 31.04 H new ATOM 0 HG SER A 82 -12.149 0.216 7.556 1.00 24.35 H new ATOM 1315 N LYS A 83 -8.983 -3.319 7.233 1.00 31.32 N ATOM 1316 CA LYS A 83 -8.139 -3.920 8.259 1.00 32.12 C ATOM 1317 C LYS A 83 -6.664 -3.796 7.892 1.00 42.13 C ATOM 1318 O LYS A 83 -5.835 -3.428 8.724 1.00 51.43 O ATOM 1319 CB LYS A 83 -8.506 -5.393 8.452 1.00 61.23 C ATOM 1320 CG LYS A 83 -7.300 -6.310 8.569 1.00 24.23 C ATOM 1321 CD LYS A 83 -7.715 -7.748 8.833 1.00 13.03 C ATOM 1322 CE LYS A 83 -6.694 -8.732 8.284 1.00 53.20 C ATOM 1323 NZ LYS A 83 -6.554 -9.930 9.158 1.00 54.25 N ATOM 0 H LYS A 83 -9.566 -3.984 6.725 1.00 31.32 H new ATOM 0 HA LYS A 83 -8.309 -3.384 9.193 1.00 32.12 H new ATOM 0 HB2 LYS A 83 -9.116 -5.492 9.350 1.00 61.23 H new ATOM 0 HB3 LYS A 83 -9.120 -5.719 7.612 1.00 61.23 H new ATOM 0 HG2 LYS A 83 -6.715 -6.262 7.650 1.00 24.23 H new ATOM 0 HG3 LYS A 83 -6.655 -5.963 9.376 1.00 24.23 H new ATOM 0 HD2 LYS A 83 -7.831 -7.903 9.906 1.00 13.03 H new ATOM 0 HD3 LYS A 83 -8.686 -7.937 8.376 1.00 13.03 H new ATOM 0 HE2 LYS A 83 -6.993 -9.045 7.283 1.00 53.20 H new ATOM 0 HE3 LYS A 83 -5.728 -8.237 8.188 1.00 53.20 H new ATOM 0 HZ1 LYS A 83 -5.849 -10.577 8.750 1.00 54.25 H new ATOM 0 HZ2 LYS A 83 -6.245 -9.634 10.106 1.00 54.25 H new ATOM 0 HZ3 LYS A 83 -7.470 -10.417 9.229 1.00 54.25 H new ATOM 1337 N LYS A 84 -6.343 -4.104 6.640 1.00 62.35 N ATOM 1338 CA LYS A 84 -4.969 -4.025 6.160 1.00 24.13 C ATOM 1339 C LYS A 84 -4.482 -2.580 6.140 1.00 32.14 C ATOM 1340 O LYS A 84 -3.279 -2.320 6.112 1.00 4.43 O ATOM 1341 CB LYS A 84 -4.860 -4.630 4.759 1.00 21.23 C ATOM 1342 CG LYS A 84 -5.036 -3.616 3.643 1.00 74.52 C ATOM 1343 CD LYS A 84 -3.699 -3.087 3.153 1.00 32.12 C ATOM 1344 CE LYS A 84 -3.847 -1.727 2.489 1.00 11.31 C ATOM 1345 NZ LYS A 84 -2.996 -1.607 1.272 1.00 30.25 N ATOM 0 H LYS A 84 -7.017 -4.411 5.939 1.00 62.35 H new ATOM 0 HA LYS A 84 -4.339 -4.593 6.844 1.00 24.13 H new ATOM 0 HB2 LYS A 84 -3.886 -5.108 4.654 1.00 21.23 H new ATOM 0 HB3 LYS A 84 -5.612 -5.411 4.650 1.00 21.23 H new ATOM 0 HG2 LYS A 84 -5.572 -4.077 2.813 1.00 74.52 H new ATOM 0 HG3 LYS A 84 -5.648 -2.787 3.997 1.00 74.52 H new ATOM 0 HD2 LYS A 84 -3.007 -3.010 3.992 1.00 32.12 H new ATOM 0 HD3 LYS A 84 -3.264 -3.793 2.445 1.00 32.12 H new ATOM 0 HE2 LYS A 84 -4.891 -1.566 2.219 1.00 11.31 H new ATOM 0 HE3 LYS A 84 -3.577 -0.945 3.199 1.00 11.31 H new ATOM 0 HZ1 LYS A 84 -3.326 -0.807 0.695 1.00 30.25 H new ATOM 0 HZ2 LYS A 84 -2.008 -1.446 1.554 1.00 30.25 H new ATOM 0 HZ3 LYS A 84 -3.059 -2.484 0.717 1.00 30.25 H new ATOM 1359 N LEU A 85 -5.424 -1.643 6.155 1.00 23.33 N ATOM 1360 CA LEU A 85 -5.091 -0.223 6.141 1.00 43.33 C ATOM 1361 C LEU A 85 -4.403 0.189 7.439 1.00 70.51 C ATOM 1362 O LEU A 85 -3.479 1.002 7.434 1.00 54.44 O ATOM 1363 CB LEU A 85 -6.354 0.615 5.931 1.00 25.03 C ATOM 1364 CG LEU A 85 -6.188 1.878 5.086 1.00 73.22 C ATOM 1365 CD1 LEU A 85 -5.141 2.796 5.696 1.00 65.11 C ATOM 1366 CD2 LEU A 85 -5.816 1.517 3.655 1.00 74.24 C ATOM 0 H LEU A 85 -6.424 -1.841 6.177 1.00 23.33 H new ATOM 0 HA LEU A 85 -4.402 -0.045 5.315 1.00 43.33 H new ATOM 0 HB2 LEU A 85 -7.110 -0.015 5.462 1.00 25.03 H new ATOM 0 HB3 LEU A 85 -6.741 0.904 6.908 1.00 25.03 H new ATOM 0 HG LEU A 85 -7.140 2.409 5.070 1.00 73.22 H new ATOM 0 HD11 LEU A 85 -5.037 3.689 5.080 1.00 65.11 H new ATOM 0 HD12 LEU A 85 -5.449 3.082 6.702 1.00 65.11 H new ATOM 0 HD13 LEU A 85 -4.185 2.276 5.744 1.00 65.11 H new ATOM 0 HD21 LEU A 85 -5.702 2.428 3.068 1.00 74.24 H new ATOM 0 HD22 LEU A 85 -4.877 0.963 3.652 1.00 74.24 H new ATOM 0 HD23 LEU A 85 -6.602 0.901 3.219 1.00 74.24 H new ATOM 1378 N LYS A 86 -4.859 -0.380 8.550 1.00 73.13 N ATOM 1379 CA LYS A 86 -4.287 -0.076 9.856 1.00 44.30 C ATOM 1380 C LYS A 86 -2.893 -0.680 9.993 1.00 44.22 C ATOM 1381 O LYS A 86 -2.183 -0.412 10.962 1.00 12.13 O ATOM 1382 CB LYS A 86 -5.194 -0.604 10.969 1.00 14.43 C ATOM 1383 CG LYS A 86 -5.111 -2.109 11.159 1.00 14.33 C ATOM 1384 CD LYS A 86 -4.536 -2.467 12.519 1.00 23.51 C ATOM 1385 CE LYS A 86 -5.586 -2.364 13.614 1.00 34.22 C ATOM 1386 NZ LYS A 86 -5.081 -2.877 14.918 1.00 70.23 N ATOM 0 H LYS A 86 -5.624 -1.055 8.572 1.00 73.13 H new ATOM 0 HA LYS A 86 -4.206 1.007 9.946 1.00 44.30 H new ATOM 0 HB2 LYS A 86 -4.929 -0.113 11.905 1.00 14.43 H new ATOM 0 HB3 LYS A 86 -6.225 -0.331 10.746 1.00 14.43 H new ATOM 0 HG2 LYS A 86 -6.105 -2.545 11.057 1.00 14.33 H new ATOM 0 HG3 LYS A 86 -4.490 -2.542 10.375 1.00 14.33 H new ATOM 0 HD2 LYS A 86 -4.137 -3.481 12.491 1.00 23.51 H new ATOM 0 HD3 LYS A 86 -3.703 -1.803 12.749 1.00 23.51 H new ATOM 0 HE2 LYS A 86 -5.892 -1.324 13.727 1.00 34.22 H new ATOM 0 HE3 LYS A 86 -6.472 -2.927 13.321 1.00 34.22 H new ATOM 0 HZ1 LYS A 86 -5.827 -2.789 15.638 1.00 70.23 H new ATOM 0 HZ2 LYS A 86 -4.813 -3.877 14.817 1.00 70.23 H new ATOM 0 HZ3 LYS A 86 -4.250 -2.324 15.211 1.00 70.23 H new ATOM 1400 N GLU A 87 -2.507 -1.494 9.016 1.00 62.32 N ATOM 1401 CA GLU A 87 -1.197 -2.135 9.029 1.00 54.40 C ATOM 1402 C GLU A 87 -0.082 -1.094 9.049 1.00 10.42 C ATOM 1403 O GLU A 87 0.514 -0.825 10.094 1.00 60.31 O ATOM 1404 CB GLU A 87 -1.038 -3.044 7.808 1.00 43.10 C ATOM 1405 CG GLU A 87 -1.973 -4.242 7.815 1.00 15.13 C ATOM 1406 CD GLU A 87 -1.497 -5.349 8.736 1.00 74.15 C ATOM 1407 OE1 GLU A 87 -0.270 -5.471 8.930 1.00 53.22 O ATOM 1408 OE2 GLU A 87 -2.352 -6.093 9.260 1.00 71.42 O ATOM 0 H GLU A 87 -3.082 -1.725 8.206 1.00 62.32 H new ATOM 0 HA GLU A 87 -1.125 -2.737 9.935 1.00 54.40 H new ATOM 0 HB2 GLU A 87 -1.216 -2.460 6.905 1.00 43.10 H new ATOM 0 HB3 GLU A 87 -0.008 -3.398 7.761 1.00 43.10 H new ATOM 0 HG2 GLU A 87 -2.967 -3.920 8.124 1.00 15.13 H new ATOM 0 HG3 GLU A 87 -2.065 -4.632 6.801 1.00 15.13 H new ATOM 1415 N LEU A 88 0.195 -0.509 7.889 1.00 63.21 N ATOM 1416 CA LEU A 88 1.239 0.504 7.772 1.00 25.54 C ATOM 1417 C LEU A 88 0.882 1.749 8.576 1.00 21.24 C ATOM 1418 O LEU A 88 1.701 2.654 8.737 1.00 50.21 O ATOM 1419 CB LEU A 88 1.456 0.874 6.304 1.00 15.34 C ATOM 1420 CG LEU A 88 0.192 1.017 5.455 1.00 14.41 C ATOM 1421 CD1 LEU A 88 -0.253 -0.337 4.926 1.00 0.13 C ATOM 1422 CD2 LEU A 88 -0.922 1.670 6.262 1.00 72.43 C ATOM 0 H LEU A 88 -0.289 -0.718 7.016 1.00 63.21 H new ATOM 0 HA LEU A 88 2.162 0.087 8.175 1.00 25.54 H new ATOM 0 HB2 LEU A 88 2.005 1.815 6.264 1.00 15.34 H new ATOM 0 HB3 LEU A 88 2.092 0.115 5.849 1.00 15.34 H new ATOM 0 HG LEU A 88 0.420 1.658 4.604 1.00 14.41 H new ATOM 0 HD11 LEU A 88 -1.154 -0.214 4.324 1.00 0.13 H new ATOM 0 HD12 LEU A 88 0.539 -0.765 4.311 1.00 0.13 H new ATOM 0 HD13 LEU A 88 -0.463 -1.003 5.763 1.00 0.13 H new ATOM 0 HD21 LEU A 88 -1.814 1.764 5.642 1.00 72.43 H new ATOM 0 HD22 LEU A 88 -1.149 1.055 7.133 1.00 72.43 H new ATOM 0 HD23 LEU A 88 -0.602 2.659 6.589 1.00 72.43 H new ATOM 1434 N THR A 89 -0.347 1.789 9.083 1.00 74.54 N ATOM 1435 CA THR A 89 -0.814 2.922 9.871 1.00 41.53 C ATOM 1436 C THR A 89 -0.038 3.039 11.178 1.00 65.32 C ATOM 1437 O THR A 89 0.428 4.118 11.540 1.00 43.30 O ATOM 1438 CB THR A 89 -2.316 2.807 10.187 1.00 62.54 C ATOM 1439 OG1 THR A 89 -3.084 2.994 8.992 1.00 14.35 O ATOM 1440 CG2 THR A 89 -2.731 3.834 11.229 1.00 70.23 C ATOM 0 H THR A 89 -1.037 1.048 8.961 1.00 74.54 H new ATOM 0 HA THR A 89 -0.645 3.816 9.270 1.00 41.53 H new ATOM 0 HB THR A 89 -2.505 1.811 10.588 1.00 62.54 H new ATOM 0 HG1 THR A 89 -2.840 2.308 8.336 1.00 14.35 H new ATOM 0 HG21 THR A 89 -3.796 3.733 11.435 1.00 70.23 H new ATOM 0 HG22 THR A 89 -2.166 3.670 12.147 1.00 70.23 H new ATOM 0 HG23 THR A 89 -2.528 4.837 10.853 1.00 70.23 H new ATOM 1448 N SER A 90 0.096 1.919 11.882 1.00 4.41 N ATOM 1449 CA SER A 90 0.813 1.897 13.153 1.00 71.33 C ATOM 1450 C SER A 90 2.320 1.947 12.926 1.00 44.20 C ATOM 1451 O SER A 90 3.069 2.442 13.769 1.00 5.11 O ATOM 1452 CB SER A 90 0.447 0.641 13.946 1.00 34.14 C ATOM 1453 OG SER A 90 0.863 0.752 15.296 1.00 63.11 O ATOM 0 H SER A 90 -0.282 1.016 11.595 1.00 4.41 H new ATOM 0 HA SER A 90 0.519 2.778 13.724 1.00 71.33 H new ATOM 0 HB2 SER A 90 -0.631 0.483 13.906 1.00 34.14 H new ATOM 0 HB3 SER A 90 0.914 -0.231 13.489 1.00 34.14 H new ATOM 0 HG SER A 90 0.616 -0.062 15.782 1.00 63.11 H new ATOM 1459 N ILE A 91 2.758 1.431 11.782 1.00 65.12 N ATOM 1460 CA ILE A 91 4.176 1.418 11.444 1.00 43.11 C ATOM 1461 C ILE A 91 4.675 2.820 11.113 1.00 23.02 C ATOM 1462 O ILE A 91 5.781 3.203 11.495 1.00 43.04 O ATOM 1463 CB ILE A 91 4.462 0.488 10.250 1.00 74.22 C ATOM 1464 CG1 ILE A 91 3.953 -0.925 10.543 1.00 63.12 C ATOM 1465 CG2 ILE A 91 5.950 0.468 9.937 1.00 24.35 C ATOM 1466 CD1 ILE A 91 3.913 -1.818 9.323 1.00 51.53 C ATOM 0 H ILE A 91 2.152 1.017 11.074 1.00 65.12 H new ATOM 0 HA ILE A 91 4.706 1.044 12.320 1.00 43.11 H new ATOM 0 HB ILE A 91 3.934 0.870 9.376 1.00 74.22 H new ATOM 0 HG12 ILE A 91 4.592 -1.383 11.298 1.00 63.12 H new ATOM 0 HG13 ILE A 91 2.952 -0.861 10.969 1.00 63.12 H new ATOM 0 HG21 ILE A 91 6.135 -0.194 9.091 1.00 24.35 H new ATOM 0 HG22 ILE A 91 6.283 1.476 9.689 1.00 24.35 H new ATOM 0 HG23 ILE A 91 6.500 0.108 10.806 1.00 24.35 H new ATOM 0 HD11 ILE A 91 3.542 -2.803 9.605 1.00 51.53 H new ATOM 0 HD12 ILE A 91 3.251 -1.382 8.575 1.00 51.53 H new ATOM 0 HD13 ILE A 91 4.917 -1.913 8.909 1.00 51.53 H new ATOM 1478 N SER A 92 3.852 3.583 10.401 1.00 20.33 N ATOM 1479 CA SER A 92 4.211 4.943 10.017 1.00 53.35 C ATOM 1480 C SER A 92 4.193 5.872 11.227 1.00 62.41 C ATOM 1481 O SER A 92 3.238 5.881 12.002 1.00 4.43 O ATOM 1482 CB SER A 92 3.249 5.463 8.946 1.00 74.41 C ATOM 1483 OG SER A 92 3.193 4.581 7.839 1.00 70.30 O ATOM 0 H SER A 92 2.932 3.283 10.078 1.00 20.33 H new ATOM 0 HA SER A 92 5.222 4.925 9.610 1.00 53.35 H new ATOM 0 HB2 SER A 92 2.253 5.579 9.373 1.00 74.41 H new ATOM 0 HB3 SER A 92 3.570 6.450 8.613 1.00 74.41 H new ATOM 0 HG SER A 92 2.874 3.703 8.136 1.00 70.30 H new ATOM 1489 N ASN A 93 5.258 6.653 11.380 1.00 64.14 N ATOM 1490 CA ASN A 93 5.367 7.586 12.495 1.00 32.43 C ATOM 1491 C ASN A 93 4.669 8.904 12.172 1.00 21.52 C ATOM 1492 O ASN A 93 4.391 9.706 13.065 1.00 24.22 O ATOM 1493 CB ASN A 93 6.838 7.843 12.831 1.00 34.12 C ATOM 1494 CG ASN A 93 7.632 8.311 11.626 1.00 0.33 C ATOM 1495 OD1 ASN A 93 8.312 7.521 10.972 1.00 74.54 O ATOM 1496 ND2 ASN A 93 7.549 9.602 11.330 1.00 50.35 N ATOM 0 H ASN A 93 6.057 6.658 10.746 1.00 64.14 H new ATOM 0 HA ASN A 93 4.877 7.139 13.360 1.00 32.43 H new ATOM 0 HB2 ASN A 93 6.902 8.593 13.619 1.00 34.12 H new ATOM 0 HB3 ASN A 93 7.283 6.929 13.224 1.00 34.12 H new ATOM 0 HD21 ASN A 93 8.062 9.976 10.532 1.00 50.35 H new ATOM 0 HD22 ASN A 93 6.972 10.220 11.901 1.00 50.35 H new ATOM 1503 N ILE A 94 4.389 9.120 10.892 1.00 1.22 N ATOM 1504 CA ILE A 94 3.723 10.339 10.451 1.00 1.41 C ATOM 1505 C ILE A 94 2.225 10.280 10.734 1.00 62.02 C ATOM 1506 O ILE A 94 1.566 11.312 10.865 1.00 3.12 O ATOM 1507 CB ILE A 94 3.941 10.589 8.947 1.00 21.53 C ATOM 1508 CG1 ILE A 94 5.436 10.691 8.636 1.00 21.24 C ATOM 1509 CG2 ILE A 94 3.217 11.852 8.510 1.00 54.43 C ATOM 1510 CD1 ILE A 94 6.071 9.364 8.282 1.00 4.11 C ATOM 0 H ILE A 94 4.613 8.467 10.141 1.00 1.22 H new ATOM 0 HA ILE A 94 4.165 11.161 11.014 1.00 1.41 H new ATOM 0 HB ILE A 94 3.530 9.747 8.391 1.00 21.53 H new ATOM 0 HG12 ILE A 94 5.580 11.386 7.809 1.00 21.24 H new ATOM 0 HG13 ILE A 94 5.951 11.112 9.500 1.00 21.24 H new ATOM 0 HG21 ILE A 94 3.381 12.015 7.445 1.00 54.43 H new ATOM 0 HG22 ILE A 94 2.149 11.744 8.701 1.00 54.43 H new ATOM 0 HG23 ILE A 94 3.601 12.704 9.071 1.00 54.43 H new ATOM 0 HD11 ILE A 94 7.131 9.512 8.074 1.00 4.11 H new ATOM 0 HD12 ILE A 94 5.958 8.672 9.117 1.00 4.11 H new ATOM 0 HD13 ILE A 94 5.582 8.951 7.400 1.00 4.11 H new ATOM 1522 N ARG A 95 1.695 9.065 10.826 1.00 34.53 N ATOM 1523 CA ARG A 95 0.274 8.870 11.093 1.00 13.34 C ATOM 1524 C ARG A 95 -0.151 9.626 12.349 1.00 41.01 C ATOM 1525 O ARG A 95 -1.299 10.056 12.468 1.00 43.53 O ATOM 1526 CB ARG A 95 -0.038 7.381 11.251 1.00 1.04 C ATOM 1527 CG ARG A 95 -0.549 6.728 9.978 1.00 25.52 C ATOM 1528 CD ARG A 95 -1.964 7.177 9.650 1.00 12.35 C ATOM 1529 NE ARG A 95 -2.657 6.222 8.790 1.00 3.41 N ATOM 1530 CZ ARG A 95 -3.977 6.178 8.656 1.00 75.03 C ATOM 1531 NH1 ARG A 95 -4.744 7.031 9.321 1.00 73.40 N ATOM 1532 NH2 ARG A 95 -4.535 5.279 7.853 1.00 4.21 N ATOM 0 H ARG A 95 2.227 8.201 10.720 1.00 34.53 H new ATOM 0 HA ARG A 95 -0.287 9.263 10.245 1.00 13.34 H new ATOM 0 HB2 ARG A 95 0.863 6.862 11.579 1.00 1.04 H new ATOM 0 HB3 ARG A 95 -0.782 7.256 12.038 1.00 1.04 H new ATOM 0 HG2 ARG A 95 0.114 6.976 9.149 1.00 25.52 H new ATOM 0 HG3 ARG A 95 -0.527 5.644 10.090 1.00 25.52 H new ATOM 0 HD2 ARG A 95 -2.526 7.306 10.575 1.00 12.35 H new ATOM 0 HD3 ARG A 95 -1.931 8.149 9.158 1.00 12.35 H new ATOM 0 HE ARG A 95 -2.096 5.552 8.263 1.00 3.41 H new ATOM 0 HH11 ARG A 95 -4.320 7.724 9.938 1.00 73.40 H new ATOM 0 HH12 ARG A 95 -5.758 6.994 9.216 1.00 73.40 H new ATOM 0 HH21 ARG A 95 -3.949 4.621 7.338 1.00 4.21 H new ATOM 0 HH22 ARG A 95 -5.549 5.246 7.751 1.00 4.21 H new ATOM 1546 N TYR A 96 0.780 9.783 13.283 1.00 52.54 N ATOM 1547 CA TYR A 96 0.501 10.484 14.530 1.00 3.50 C ATOM 1548 C TYR A 96 0.821 11.971 14.404 1.00 44.31 C ATOM 1549 O TYR A 96 -0.042 12.823 14.605 1.00 24.35 O ATOM 1550 CB TYR A 96 1.311 9.873 15.675 1.00 35.50 C ATOM 1551 CG TYR A 96 1.379 8.363 15.629 1.00 43.44 C ATOM 1552 CD1 TYR A 96 2.378 7.715 14.912 1.00 53.13 C ATOM 1553 CD2 TYR A 96 0.446 7.584 16.301 1.00 74.15 C ATOM 1554 CE1 TYR A 96 2.445 6.336 14.866 1.00 54.14 C ATOM 1555 CE2 TYR A 96 0.505 6.204 16.261 1.00 71.21 C ATOM 1556 CZ TYR A 96 1.506 5.585 15.542 1.00 10.51 C ATOM 1557 OH TYR A 96 1.569 4.211 15.499 1.00 32.12 O ATOM 0 H TYR A 96 1.735 9.434 13.200 1.00 52.54 H new ATOM 0 HA TYR A 96 -0.562 10.377 14.747 1.00 3.50 H new ATOM 0 HB2 TYR A 96 2.324 10.275 15.648 1.00 35.50 H new ATOM 0 HB3 TYR A 96 0.872 10.180 16.624 1.00 35.50 H new ATOM 0 HD1 TYR A 96 3.115 8.300 14.382 1.00 53.13 H new ATOM 0 HD2 TYR A 96 -0.339 8.065 16.865 1.00 74.15 H new ATOM 0 HE1 TYR A 96 3.228 5.849 14.304 1.00 54.14 H new ATOM 0 HE2 TYR A 96 -0.229 5.614 16.790 1.00 71.21 H new ATOM 0 HH TYR A 96 2.191 3.934 14.794 1.00 32.12 H new ATOM 1567 N GLY A 97 2.073 12.274 14.068 1.00 73.31 N ATOM 1568 CA GLY A 97 2.487 13.656 13.920 1.00 73.23 C ATOM 1569 C GLY A 97 1.577 14.438 12.992 1.00 61.34 C ATOM 1570 O GLY A 97 1.433 15.652 13.130 1.00 54.32 O ATOM 0 H GLY A 97 2.806 11.586 13.896 1.00 73.31 H new ATOM 0 HA2 GLY A 97 2.501 14.135 14.899 1.00 73.23 H new ATOM 0 HA3 GLY A 97 3.507 13.687 13.536 1.00 73.23 H new ATOM 1574 N TYR A 98 0.964 13.740 12.042 1.00 63.21 N ATOM 1575 CA TYR A 98 0.067 14.376 11.085 1.00 53.12 C ATOM 1576 C TYR A 98 -1.335 13.781 11.171 1.00 65.22 C ATOM 1577 O TYR A 98 -2.286 14.459 11.555 1.00 2.11 O ATOM 1578 CB TYR A 98 0.612 14.222 9.663 1.00 2.42 C ATOM 1579 CG TYR A 98 1.513 15.358 9.234 1.00 4.13 C ATOM 1580 CD1 TYR A 98 2.842 15.407 9.636 1.00 65.33 C ATOM 1581 CD2 TYR A 98 1.035 16.383 8.426 1.00 5.21 C ATOM 1582 CE1 TYR A 98 3.669 16.443 9.247 1.00 33.20 C ATOM 1583 CE2 TYR A 98 1.855 17.422 8.030 1.00 30.15 C ATOM 1584 CZ TYR A 98 3.171 17.448 8.444 1.00 33.14 C ATOM 1585 OH TYR A 98 3.991 18.481 8.053 1.00 11.41 O ATOM 0 H TYR A 98 1.072 12.734 11.914 1.00 63.21 H new ATOM 0 HA TYR A 98 0.007 15.436 11.332 1.00 53.12 H new ATOM 0 HB2 TYR A 98 1.165 13.285 9.594 1.00 2.42 H new ATOM 0 HB3 TYR A 98 -0.225 14.150 8.968 1.00 2.42 H new ATOM 0 HD1 TYR A 98 3.236 14.621 10.264 1.00 65.33 H new ATOM 0 HD2 TYR A 98 0.005 16.367 8.102 1.00 5.21 H new ATOM 0 HE1 TYR A 98 4.699 16.466 9.570 1.00 33.20 H new ATOM 0 HE2 TYR A 98 1.468 18.209 7.400 1.00 30.15 H new ATOM 0 HH TYR A 98 3.486 19.104 7.490 1.00 11.41 H new TER 1595 TYR A 98