USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 768 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: B 125 MET CE :methyl 142:sc= -0.304 (180deg=-2.26!) USER MOD Set 1.2: B 128 THR OG1 : rot 58:sc= 1.17 USER MOD Set 2.1: B 113 ASN : amide:sc= 0.59 K(o=1.6,f=-3.6) USER MOD Set 2.2: B 117 LYS NZ :NH3+ -173:sc= 0.975 (180deg=-0.0143) USER MOD Set 3.1: A 33 GLN :FLIP amide:sc= -0.893 F(o=-4.8!,f=-1.8) USER MOD Set 3.2: A 41 GLN : amide:sc= -0.89 K(o=-1.8,f=-5.3!) USER MOD Set 4.1: A 24 ASN :FLIP amide:sc= -1.29 F(o=-2.4!,f=-0.047) USER MOD Set 4.2: B 123 THR OG1 : rot 83:sc= 1.24 USER MOD Single : A 1 ASP N :NH3+ -127:sc= -0.214 (180deg=-0.971) USER MOD Single : A 3 LYS NZ :NH3+ -165:sc= -0.0495 (180deg=-0.268) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0.174 X(o=0.17,f=-0.2) USER MOD Single : A 13 ASN :FLIP amide:sc=-0.000534 F(o=-1.1,f=-0.00053) USER MOD Single : A 15 LYS NZ :NH3+ 169:sc= 0.0697 (180deg=-0.0535) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -2.9 K(o=-2.9,f=-4!) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 23 THR OG1 : rot 78:sc= 1.2 USER MOD Single : A 25 MET CE :methyl 148:sc= -1.23 (180deg=-2.57!) USER MOD Single : A 28 THR OG1 : rot 77:sc= 0.647 USER MOD Single : A 31 LYS NZ :NH3+ -156:sc= 1 (180deg=0.616) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -130:sc= -0.148 USER MOD Single : A 39 GLN : amide:sc= 0.93 K(o=0.93,f=-6.2!) USER MOD Single : B 103 LYS NZ :NH3+ 171:sc= 0.433 (180deg=0.383) USER MOD Single : B 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 108 GLN : amide:sc= 0.363 X(o=0.36,f=-0.094) USER MOD Single : B 115 LYS NZ :NH3+ 142:sc= 1.2 (180deg=-0.0668) USER MOD Single : B 119 GLN :FLIP amide:sc= -1.46 F(o=-2.2,f=-1.5) USER MOD Single : B 121 HIS : no HD1:sc= -0.0357 X(o=-0.036,f=0) USER MOD Single : B 124 ASN :FLIP amide:sc= -1.07 F(o=-2.4!,f=-1.1) USER MOD Single : B 131 LYS NZ :NH3+ -150:sc= -1.76! (180deg=-3.52!) USER MOD Single : B 133 GLN : amide:sc= -0.576 K(o=-0.58,f=-1.2) USER MOD Single : B 136 LYS NZ :NH3+ -144:sc= -0.521 (180deg=-2.35!) USER MOD Single : B 138 THR OG1 : rot -180:sc= -0.31 USER MOD Single : B 139 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.65) USER MOD Single : B 141 GLN : amide:sc= 0.409 X(o=0.41,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 14.797 -7.646 24.780 1.00 34.33 N ATOM 2 CA ASP A 1 15.215 -7.171 23.434 1.00 45.31 C ATOM 3 C ASP A 1 14.121 -7.438 22.388 1.00 71.41 C ATOM 4 O ASP A 1 13.788 -6.567 21.590 1.00 45.13 O ATOM 5 CB ASP A 1 16.557 -7.829 23.017 1.00 24.51 C ATOM 6 CG ASP A 1 16.585 -9.352 23.204 1.00 63.11 C ATOM 7 OD1 ASP A 1 16.850 -9.811 24.336 1.00 71.23 O ATOM 8 OD2 ASP A 1 16.330 -10.095 22.232 1.00 3.32 O ATOM 0 H1 ASP A 1 14.899 -6.873 25.468 1.00 34.33 H new ATOM 0 H2 ASP A 1 13.803 -7.951 24.747 1.00 34.33 H new ATOM 0 H3 ASP A 1 15.396 -8.446 25.067 1.00 34.33 H new ATOM 0 HA ASP A 1 15.365 -6.093 23.486 1.00 45.31 H new ATOM 0 HB2 ASP A 1 16.755 -7.597 21.970 1.00 24.51 H new ATOM 0 HB3 ASP A 1 17.365 -7.386 23.600 1.00 24.51 H new ATOM 15 N PHE A 2 13.566 -8.645 22.421 1.00 14.43 N ATOM 16 CA PHE A 2 12.504 -9.109 21.496 1.00 73.51 C ATOM 17 C PHE A 2 11.228 -8.213 21.429 1.00 14.43 C ATOM 18 O PHE A 2 10.410 -8.394 20.513 1.00 74.11 O ATOM 19 CB PHE A 2 12.119 -10.560 21.862 1.00 75.54 C ATOM 20 CG PHE A 2 13.114 -11.631 21.401 1.00 1.02 C ATOM 21 CD1 PHE A 2 13.315 -11.847 20.042 1.00 33.23 C ATOM 22 CD2 PHE A 2 13.806 -12.441 22.303 1.00 35.23 C ATOM 23 CE1 PHE A 2 14.171 -12.824 19.588 1.00 74.34 C ATOM 24 CE2 PHE A 2 14.674 -13.420 21.849 1.00 34.53 C ATOM 25 CZ PHE A 2 14.855 -13.612 20.490 1.00 13.33 C ATOM 0 H PHE A 2 13.839 -9.354 23.102 1.00 14.43 H new ATOM 0 HA PHE A 2 12.933 -9.045 20.496 1.00 73.51 H new ATOM 0 HB2 PHE A 2 12.010 -10.629 22.944 1.00 75.54 H new ATOM 0 HB3 PHE A 2 11.144 -10.781 21.429 1.00 75.54 H new ATOM 0 HD1 PHE A 2 12.787 -11.234 19.327 1.00 33.23 H new ATOM 0 HD2 PHE A 2 13.663 -12.303 23.365 1.00 35.23 H new ATOM 0 HE1 PHE A 2 14.307 -12.974 18.527 1.00 74.34 H new ATOM 0 HE2 PHE A 2 15.211 -14.035 22.556 1.00 34.53 H new ATOM 0 HZ PHE A 2 15.530 -14.377 20.137 1.00 13.33 H new ATOM 35 N LYS A 3 11.041 -7.271 22.385 1.00 71.33 N ATOM 36 CA LYS A 3 9.917 -6.308 22.317 1.00 60.32 C ATOM 37 C LYS A 3 10.118 -5.344 21.125 1.00 40.13 C ATOM 38 O LYS A 3 9.159 -5.010 20.416 1.00 11.22 O ATOM 39 CB LYS A 3 9.709 -5.516 23.654 1.00 3.32 C ATOM 40 CG LYS A 3 10.674 -4.327 23.925 1.00 65.22 C ATOM 41 CD LYS A 3 12.115 -4.749 24.270 1.00 22.40 C ATOM 42 CE LYS A 3 12.249 -5.299 25.705 1.00 75.30 C ATOM 43 NZ LYS A 3 11.906 -4.277 26.739 1.00 3.32 N ATOM 0 H LYS A 3 11.644 -7.159 23.200 1.00 71.33 H new ATOM 0 HA LYS A 3 9.005 -6.885 22.163 1.00 60.32 H new ATOM 0 HB2 LYS A 3 8.688 -5.134 23.667 1.00 3.32 H new ATOM 0 HB3 LYS A 3 9.796 -6.219 24.482 1.00 3.32 H new ATOM 0 HG2 LYS A 3 10.696 -3.684 23.045 1.00 65.22 H new ATOM 0 HG3 LYS A 3 10.276 -3.730 24.746 1.00 65.22 H new ATOM 0 HD2 LYS A 3 12.446 -5.509 23.562 1.00 22.40 H new ATOM 0 HD3 LYS A 3 12.778 -3.892 24.151 1.00 22.40 H new ATOM 0 HE2 LYS A 3 11.597 -6.164 25.822 1.00 75.30 H new ATOM 0 HE3 LYS A 3 13.270 -5.646 25.865 1.00 75.30 H new ATOM 0 HZ1 LYS A 3 12.247 -4.596 27.668 1.00 3.32 H new ATOM 0 HZ2 LYS A 3 12.358 -3.372 26.496 1.00 3.32 H new ATOM 0 HZ3 LYS A 3 10.874 -4.151 26.773 1.00 3.32 H new ATOM 57 N LYS A 4 11.389 -4.921 20.899 1.00 74.32 N ATOM 58 CA LYS A 4 11.735 -4.046 19.781 1.00 20.13 C ATOM 59 C LYS A 4 11.712 -4.838 18.464 1.00 22.44 C ATOM 60 O LYS A 4 11.476 -4.252 17.426 1.00 52.11 O ATOM 61 CB LYS A 4 13.110 -3.337 20.013 1.00 2.22 C ATOM 62 CG LYS A 4 14.389 -4.199 19.765 1.00 24.24 C ATOM 63 CD LYS A 4 14.980 -4.018 18.337 1.00 3.01 C ATOM 64 CE LYS A 4 16.138 -4.980 18.002 1.00 71.34 C ATOM 65 NZ LYS A 4 17.373 -4.699 18.788 1.00 4.05 N ATOM 0 H LYS A 4 12.182 -5.180 21.485 1.00 74.32 H new ATOM 0 HA LYS A 4 10.986 -3.257 19.714 1.00 20.13 H new ATOM 0 HB2 LYS A 4 13.157 -2.463 19.364 1.00 2.22 H new ATOM 0 HB3 LYS A 4 13.137 -2.973 21.040 1.00 2.22 H new ATOM 0 HG2 LYS A 4 15.147 -3.934 20.502 1.00 24.24 H new ATOM 0 HG3 LYS A 4 14.147 -5.250 19.921 1.00 24.24 H new ATOM 0 HD2 LYS A 4 14.183 -4.159 17.606 1.00 3.01 H new ATOM 0 HD3 LYS A 4 15.333 -2.992 18.230 1.00 3.01 H new ATOM 0 HE2 LYS A 4 15.818 -6.005 18.191 1.00 71.34 H new ATOM 0 HE3 LYS A 4 16.366 -4.909 16.939 1.00 71.34 H new ATOM 0 HZ1 LYS A 4 18.116 -5.376 18.521 1.00 4.05 H new ATOM 0 HZ2 LYS A 4 17.698 -3.731 18.589 1.00 4.05 H new ATOM 0 HZ3 LYS A 4 17.167 -4.793 19.803 1.00 4.05 H new ATOM 79 N LEU A 5 11.971 -6.174 18.523 1.00 31.42 N ATOM 80 CA LEU A 5 11.928 -7.060 17.330 1.00 65.20 C ATOM 81 C LEU A 5 10.574 -6.919 16.616 1.00 72.14 C ATOM 82 O LEU A 5 10.507 -6.783 15.380 1.00 42.13 O ATOM 83 CB LEU A 5 12.127 -8.543 17.724 1.00 13.30 C ATOM 84 CG LEU A 5 12.198 -9.528 16.516 1.00 72.22 C ATOM 85 CD1 LEU A 5 13.537 -9.384 15.779 1.00 65.00 C ATOM 86 CD2 LEU A 5 11.920 -10.985 16.925 1.00 65.34 C ATOM 0 H LEU A 5 12.212 -6.659 19.387 1.00 31.42 H new ATOM 0 HA LEU A 5 12.738 -6.757 16.666 1.00 65.20 H new ATOM 0 HB2 LEU A 5 13.046 -8.632 18.304 1.00 13.30 H new ATOM 0 HB3 LEU A 5 11.308 -8.846 18.376 1.00 13.30 H new ATOM 0 HG LEU A 5 11.401 -9.254 15.825 1.00 72.22 H new ATOM 0 HD11 LEU A 5 13.567 -10.079 14.940 1.00 65.00 H new ATOM 0 HD12 LEU A 5 13.641 -8.364 15.409 1.00 65.00 H new ATOM 0 HD13 LEU A 5 14.355 -9.606 16.464 1.00 65.00 H new ATOM 0 HD21 LEU A 5 11.982 -11.628 16.047 1.00 65.34 H new ATOM 0 HD22 LEU A 5 12.658 -11.304 17.661 1.00 65.34 H new ATOM 0 HD23 LEU A 5 10.922 -11.057 17.358 1.00 65.34 H new ATOM 98 N TYR A 6 9.512 -6.956 17.448 1.00 0.52 N ATOM 99 CA TYR A 6 8.134 -6.706 17.032 1.00 24.52 C ATOM 100 C TYR A 6 8.051 -5.348 16.331 1.00 54.44 C ATOM 101 O TYR A 6 7.663 -5.274 15.175 1.00 25.24 O ATOM 102 CB TYR A 6 7.211 -6.771 18.288 1.00 23.32 C ATOM 103 CG TYR A 6 5.707 -6.910 17.991 1.00 54.30 C ATOM 104 CD1 TYR A 6 4.924 -5.806 17.648 1.00 34.02 C ATOM 105 CD2 TYR A 6 5.080 -8.162 18.044 1.00 43.54 C ATOM 106 CE1 TYR A 6 3.581 -5.947 17.367 1.00 32.31 C ATOM 107 CE2 TYR A 6 3.739 -8.304 17.764 1.00 33.32 C ATOM 108 CZ TYR A 6 2.994 -7.196 17.424 1.00 11.13 C ATOM 109 OH TYR A 6 1.654 -7.334 17.147 1.00 24.11 O ATOM 0 H TYR A 6 9.600 -7.165 18.443 1.00 0.52 H new ATOM 0 HA TYR A 6 7.800 -7.463 16.323 1.00 24.52 H new ATOM 0 HB2 TYR A 6 7.523 -7.614 18.904 1.00 23.32 H new ATOM 0 HB3 TYR A 6 7.366 -5.869 18.880 1.00 23.32 H new ATOM 0 HD1 TYR A 6 5.377 -4.827 17.602 1.00 34.02 H new ATOM 0 HD2 TYR A 6 5.660 -9.033 18.310 1.00 43.54 H new ATOM 0 HE1 TYR A 6 2.990 -5.083 17.103 1.00 32.31 H new ATOM 0 HE2 TYR A 6 3.274 -9.278 17.811 1.00 33.32 H new ATOM 0 HH TYR A 6 1.398 -8.276 17.230 1.00 24.11 H new ATOM 119 N GLU A 7 8.518 -4.311 17.040 1.00 3.34 N ATOM 120 CA GLU A 7 8.501 -2.912 16.589 1.00 5.52 C ATOM 121 C GLU A 7 9.243 -2.691 15.253 1.00 3.13 C ATOM 122 O GLU A 7 8.868 -1.803 14.504 1.00 42.11 O ATOM 123 CB GLU A 7 9.121 -2.031 17.700 1.00 21.13 C ATOM 124 CG GLU A 7 8.273 -1.961 18.986 1.00 41.44 C ATOM 125 CD GLU A 7 8.938 -1.149 20.109 1.00 2.41 C ATOM 126 OE1 GLU A 7 8.902 0.097 20.043 1.00 11.43 O ATOM 127 OE2 GLU A 7 9.499 -1.745 21.060 1.00 12.44 O ATOM 0 H GLU A 7 8.929 -4.425 17.967 1.00 3.34 H new ATOM 0 HA GLU A 7 7.464 -2.634 16.404 1.00 5.52 H new ATOM 0 HB2 GLU A 7 10.109 -2.418 17.948 1.00 21.13 H new ATOM 0 HB3 GLU A 7 9.262 -1.022 17.314 1.00 21.13 H new ATOM 0 HG2 GLU A 7 7.305 -1.518 18.751 1.00 41.44 H new ATOM 0 HG3 GLU A 7 8.082 -2.973 19.343 1.00 41.44 H new ATOM 134 N GLN A 8 10.295 -3.492 14.986 1.00 11.12 N ATOM 135 CA GLN A 8 11.115 -3.365 13.755 1.00 70.23 C ATOM 136 C GLN A 8 10.310 -3.719 12.504 1.00 44.30 C ATOM 137 O GLN A 8 10.075 -2.846 11.652 1.00 2.02 O ATOM 138 CB GLN A 8 12.422 -4.216 13.818 1.00 63.14 C ATOM 139 CG GLN A 8 13.372 -3.884 14.992 1.00 63.22 C ATOM 140 CD GLN A 8 13.463 -2.380 15.296 1.00 53.23 C ATOM 141 OE1 GLN A 8 14.310 -1.672 14.758 1.00 33.21 O ATOM 142 NE2 GLN A 8 12.565 -1.887 16.151 1.00 74.53 N ATOM 0 H GLN A 8 10.601 -4.240 15.609 1.00 11.12 H new ATOM 0 HA GLN A 8 11.408 -2.317 13.692 1.00 70.23 H new ATOM 0 HB2 GLN A 8 12.147 -5.269 13.881 1.00 63.14 H new ATOM 0 HB3 GLN A 8 12.967 -4.084 12.883 1.00 63.14 H new ATOM 0 HG2 GLN A 8 13.031 -4.408 15.885 1.00 63.22 H new ATOM 0 HG3 GLN A 8 14.368 -4.262 14.762 1.00 63.22 H new ATOM 0 HE21 GLN A 8 11.876 -2.505 16.579 1.00 74.53 H new ATOM 0 HE22 GLN A 8 12.568 -0.892 16.376 1.00 74.53 H new ATOM 151 N ILE A 9 9.883 -4.999 12.388 1.00 24.35 N ATOM 152 CA ILE A 9 9.076 -5.434 11.232 1.00 60.23 C ATOM 153 C ILE A 9 7.731 -4.676 11.190 1.00 4.22 C ATOM 154 O ILE A 9 7.288 -4.293 10.119 1.00 5.40 O ATOM 155 CB ILE A 9 8.766 -6.974 11.211 1.00 70.45 C ATOM 156 CG1 ILE A 9 10.019 -7.832 11.525 1.00 41.52 C ATOM 157 CG2 ILE A 9 8.179 -7.379 9.823 1.00 62.04 C ATOM 158 CD1 ILE A 9 9.723 -9.323 11.564 1.00 73.50 C ATOM 0 H ILE A 9 10.081 -5.733 13.068 1.00 24.35 H new ATOM 0 HA ILE A 9 9.688 -5.205 10.360 1.00 60.23 H new ATOM 0 HB ILE A 9 8.034 -7.169 11.995 1.00 70.45 H new ATOM 0 HG12 ILE A 9 10.783 -7.638 10.772 1.00 41.52 H new ATOM 0 HG13 ILE A 9 10.432 -7.524 12.485 1.00 41.52 H new ATOM 0 HG21 ILE A 9 7.967 -8.448 9.816 1.00 62.04 H new ATOM 0 HG22 ILE A 9 7.258 -6.825 9.642 1.00 62.04 H new ATOM 0 HG23 ILE A 9 8.902 -7.147 9.041 1.00 62.04 H new ATOM 0 HD11 ILE A 9 10.639 -9.870 11.788 1.00 73.50 H new ATOM 0 HD12 ILE A 9 8.981 -9.527 12.336 1.00 73.50 H new ATOM 0 HD13 ILE A 9 9.337 -9.643 10.596 1.00 73.50 H new ATOM 170 N LEU A 10 7.111 -4.472 12.376 1.00 71.14 N ATOM 171 CA LEU A 10 5.782 -3.813 12.512 1.00 73.14 C ATOM 172 C LEU A 10 5.862 -2.331 12.088 1.00 53.31 C ATOM 173 O LEU A 10 4.874 -1.782 11.625 1.00 4.50 O ATOM 174 CB LEU A 10 5.228 -3.974 13.974 1.00 74.51 C ATOM 175 CG LEU A 10 3.666 -3.968 14.201 1.00 30.21 C ATOM 176 CD1 LEU A 10 3.012 -2.583 14.010 1.00 44.34 C ATOM 177 CD2 LEU A 10 2.981 -5.041 13.325 1.00 13.41 C ATOM 0 H LEU A 10 7.515 -4.758 13.268 1.00 71.14 H new ATOM 0 HA LEU A 10 5.079 -4.307 11.841 1.00 73.14 H new ATOM 0 HB2 LEU A 10 5.616 -4.912 14.372 1.00 74.51 H new ATOM 0 HB3 LEU A 10 5.652 -3.172 14.578 1.00 74.51 H new ATOM 0 HG LEU A 10 3.512 -4.218 15.251 1.00 30.21 H new ATOM 0 HD11 LEU A 10 1.939 -2.661 14.183 1.00 44.34 H new ATOM 0 HD12 LEU A 10 3.444 -1.876 14.719 1.00 44.34 H new ATOM 0 HD13 LEU A 10 3.191 -2.233 12.993 1.00 44.34 H new ATOM 0 HD21 LEU A 10 1.905 -5.019 13.498 1.00 13.41 H new ATOM 0 HD22 LEU A 10 3.184 -4.836 12.274 1.00 13.41 H new ATOM 0 HD23 LEU A 10 3.370 -6.025 13.585 1.00 13.41 H new ATOM 189 N ALA A 11 7.049 -1.699 12.238 1.00 34.11 N ATOM 190 CA ALA A 11 7.288 -0.323 11.743 1.00 4.43 C ATOM 191 C ALA A 11 7.113 -0.287 10.214 1.00 13.11 C ATOM 192 O ALA A 11 6.372 0.548 9.673 1.00 63.02 O ATOM 193 CB ALA A 11 8.695 0.165 12.139 1.00 74.42 C ATOM 0 H ALA A 11 7.856 -2.120 12.698 1.00 34.11 H new ATOM 0 HA ALA A 11 6.561 0.348 12.201 1.00 4.43 H new ATOM 0 HB1 ALA A 11 8.848 1.177 11.765 1.00 74.42 H new ATOM 0 HB2 ALA A 11 8.789 0.161 13.225 1.00 74.42 H new ATOM 0 HB3 ALA A 11 9.445 -0.498 11.708 1.00 74.42 H new ATOM 199 N GLU A 12 7.780 -1.247 9.543 1.00 40.21 N ATOM 200 CA GLU A 12 7.708 -1.413 8.083 1.00 74.52 C ATOM 201 C GLU A 12 6.307 -1.891 7.649 1.00 15.31 C ATOM 202 O GLU A 12 5.789 -1.446 6.639 1.00 25.43 O ATOM 203 CB GLU A 12 8.790 -2.426 7.610 1.00 73.42 C ATOM 204 CG GLU A 12 8.926 -2.564 6.067 1.00 13.31 C ATOM 205 CD GLU A 12 9.762 -1.453 5.381 1.00 43.22 C ATOM 206 OE1 GLU A 12 9.602 -0.257 5.707 1.00 0.33 O ATOM 207 OE2 GLU A 12 10.570 -1.772 4.479 1.00 60.20 O ATOM 0 H GLU A 12 8.384 -1.929 10.002 1.00 40.21 H new ATOM 0 HA GLU A 12 7.895 -0.445 7.618 1.00 74.52 H new ATOM 0 HB2 GLU A 12 9.754 -2.124 8.020 1.00 73.42 H new ATOM 0 HB3 GLU A 12 8.558 -3.405 8.029 1.00 73.42 H new ATOM 0 HG2 GLU A 12 9.379 -3.530 5.842 1.00 13.31 H new ATOM 0 HG3 GLU A 12 7.928 -2.570 5.628 1.00 13.31 H new ATOM 214 N ASN A 13 5.706 -2.773 8.465 1.00 70.30 N ATOM 215 CA ASN A 13 4.432 -3.465 8.162 1.00 0.51 C ATOM 216 C ASN A 13 3.255 -2.479 8.247 1.00 43.33 C ATOM 217 O ASN A 13 2.312 -2.553 7.464 1.00 54.25 O ATOM 218 CB ASN A 13 4.232 -4.643 9.156 1.00 30.31 C ATOM 219 CG ASN A 13 3.072 -5.569 8.794 1.00 54.15 C ATOM 220 OD1 ASN A 13 3.371 -6.628 8.063 1.00 4.44 O flip ATOM 221 ND2 ASN A 13 1.927 -5.345 9.178 1.00 65.25 N flip ATOM 0 H ASN A 13 6.095 -3.033 9.371 1.00 70.30 H new ATOM 0 HA ASN A 13 4.470 -3.861 7.147 1.00 0.51 H new ATOM 0 HB2 ASN A 13 5.151 -5.228 9.200 1.00 30.31 H new ATOM 0 HB3 ASN A 13 4.063 -4.239 10.154 1.00 30.31 H new ATOM 0 HD21 ASN A 13 1.731 -4.518 9.741 1.00 65.25 H new ATOM 0 HD22 ASN A 13 1.172 -5.986 8.934 1.00 65.25 H new ATOM 228 N GLU A 14 3.354 -1.561 9.224 1.00 43.44 N ATOM 229 CA GLU A 14 2.413 -0.448 9.419 1.00 23.41 C ATOM 230 C GLU A 14 2.481 0.507 8.230 1.00 55.12 C ATOM 231 O GLU A 14 1.440 0.927 7.697 1.00 64.55 O ATOM 232 CB GLU A 14 2.707 0.288 10.768 1.00 73.10 C ATOM 233 CG GLU A 14 2.386 1.799 10.780 1.00 31.25 C ATOM 234 CD GLU A 14 2.262 2.385 12.197 1.00 60.15 C ATOM 235 OE1 GLU A 14 1.140 2.385 12.756 1.00 51.21 O ATOM 236 OE2 GLU A 14 3.281 2.820 12.768 1.00 54.20 O ATOM 0 H GLU A 14 4.106 -1.574 9.913 1.00 43.44 H new ATOM 0 HA GLU A 14 1.398 -0.842 9.476 1.00 23.41 H new ATOM 0 HB2 GLU A 14 2.133 -0.195 11.559 1.00 73.10 H new ATOM 0 HB3 GLU A 14 3.761 0.155 11.013 1.00 73.10 H new ATOM 0 HG2 GLU A 14 3.168 2.334 10.241 1.00 31.25 H new ATOM 0 HG3 GLU A 14 1.454 1.969 10.241 1.00 31.25 H new ATOM 243 N LYS A 15 3.722 0.856 7.844 1.00 30.23 N ATOM 244 CA LYS A 15 3.979 1.628 6.630 1.00 33.02 C ATOM 245 C LYS A 15 3.326 0.936 5.415 1.00 3.21 C ATOM 246 O LYS A 15 2.712 1.599 4.601 1.00 63.12 O ATOM 247 CB LYS A 15 5.503 1.779 6.364 1.00 15.13 C ATOM 248 CG LYS A 15 5.869 2.601 5.085 1.00 71.53 C ATOM 249 CD LYS A 15 7.155 2.107 4.382 1.00 23.11 C ATOM 250 CE LYS A 15 7.001 0.687 3.801 1.00 55.11 C ATOM 251 NZ LYS A 15 8.214 0.258 3.062 1.00 33.51 N ATOM 0 H LYS A 15 4.564 0.610 8.365 1.00 30.23 H new ATOM 0 HA LYS A 15 3.549 2.619 6.774 1.00 33.02 H new ATOM 0 HB2 LYS A 15 5.963 2.257 7.229 1.00 15.13 H new ATOM 0 HB3 LYS A 15 5.942 0.785 6.278 1.00 15.13 H new ATOM 0 HG2 LYS A 15 5.038 2.552 4.381 1.00 71.53 H new ATOM 0 HG3 LYS A 15 5.994 3.649 5.359 1.00 71.53 H new ATOM 0 HD2 LYS A 15 7.415 2.798 3.580 1.00 23.11 H new ATOM 0 HD3 LYS A 15 7.981 2.118 5.093 1.00 23.11 H new ATOM 0 HE2 LYS A 15 6.800 -0.016 4.609 1.00 55.11 H new ATOM 0 HE3 LYS A 15 6.140 0.659 3.133 1.00 55.11 H new ATOM 0 HZ1 LYS A 15 8.149 -0.758 2.848 1.00 33.51 H new ATOM 0 HZ2 LYS A 15 8.288 0.795 2.174 1.00 33.51 H new ATOM 0 HZ3 LYS A 15 9.057 0.436 3.645 1.00 33.51 H new ATOM 265 N LEU A 16 3.453 -0.416 5.346 1.00 64.50 N ATOM 266 CA LEU A 16 2.936 -1.234 4.226 1.00 63.53 C ATOM 267 C LEU A 16 1.399 -1.188 4.162 1.00 73.21 C ATOM 268 O LEU A 16 0.830 -1.236 3.073 1.00 24.25 O ATOM 269 CB LEU A 16 3.441 -2.700 4.305 1.00 21.51 C ATOM 270 CG LEU A 16 4.965 -2.917 4.044 1.00 13.24 C ATOM 271 CD1 LEU A 16 5.378 -4.379 4.273 1.00 2.41 C ATOM 272 CD2 LEU A 16 5.374 -2.448 2.637 1.00 30.10 C ATOM 0 H LEU A 16 3.918 -0.966 6.068 1.00 64.50 H new ATOM 0 HA LEU A 16 3.326 -0.799 3.305 1.00 63.53 H new ATOM 0 HB2 LEU A 16 3.203 -3.092 5.294 1.00 21.51 H new ATOM 0 HB3 LEU A 16 2.881 -3.295 3.583 1.00 21.51 H new ATOM 0 HG LEU A 16 5.499 -2.302 4.768 1.00 13.24 H new ATOM 0 HD11 LEU A 16 6.445 -4.490 4.081 1.00 2.41 H new ATOM 0 HD12 LEU A 16 5.163 -4.661 5.304 1.00 2.41 H new ATOM 0 HD13 LEU A 16 4.819 -5.025 3.596 1.00 2.41 H new ATOM 0 HD21 LEU A 16 6.441 -2.616 2.494 1.00 30.10 H new ATOM 0 HD22 LEU A 16 4.815 -3.010 1.889 1.00 30.10 H new ATOM 0 HD23 LEU A 16 5.156 -1.385 2.530 1.00 30.10 H new ATOM 284 N LYS A 17 0.746 -1.085 5.336 1.00 14.42 N ATOM 285 CA LYS A 17 -0.719 -0.922 5.425 1.00 71.15 C ATOM 286 C LYS A 17 -1.143 0.468 4.920 1.00 4.51 C ATOM 287 O LYS A 17 -2.196 0.611 4.287 1.00 34.44 O ATOM 288 CB LYS A 17 -1.215 -1.150 6.880 1.00 32.41 C ATOM 289 CG LYS A 17 -0.962 -2.579 7.412 1.00 2.02 C ATOM 290 CD LYS A 17 -1.539 -2.819 8.829 1.00 1.43 C ATOM 291 CE LYS A 17 -0.877 -1.960 9.911 1.00 65.02 C ATOM 292 NZ LYS A 17 -1.450 -2.228 11.255 1.00 64.43 N ATOM 0 H LYS A 17 1.214 -1.112 6.242 1.00 14.42 H new ATOM 0 HA LYS A 17 -1.182 -1.675 4.787 1.00 71.15 H new ATOM 0 HB2 LYS A 17 -0.721 -0.435 7.538 1.00 32.41 H new ATOM 0 HB3 LYS A 17 -2.284 -0.940 6.926 1.00 32.41 H new ATOM 0 HG2 LYS A 17 -1.402 -3.299 6.722 1.00 2.02 H new ATOM 0 HG3 LYS A 17 0.111 -2.768 7.428 1.00 2.02 H new ATOM 0 HD2 LYS A 17 -2.609 -2.613 8.817 1.00 1.43 H new ATOM 0 HD3 LYS A 17 -1.420 -3.871 9.088 1.00 1.43 H new ATOM 0 HE2 LYS A 17 0.195 -2.158 9.927 1.00 65.02 H new ATOM 0 HE3 LYS A 17 -1.003 -0.905 9.666 1.00 65.02 H new ATOM 0 HZ1 LYS A 17 -0.977 -1.628 11.960 1.00 64.43 H new ATOM 0 HZ2 LYS A 17 -2.468 -2.015 11.247 1.00 64.43 H new ATOM 0 HZ3 LYS A 17 -1.307 -3.229 11.500 1.00 64.43 H new ATOM 306 N ALA A 18 -0.288 1.475 5.182 1.00 62.14 N ATOM 307 CA ALA A 18 -0.557 2.870 4.807 1.00 12.35 C ATOM 308 C ALA A 18 -0.441 3.048 3.284 1.00 4.03 C ATOM 309 O ALA A 18 -1.384 3.469 2.633 1.00 62.04 O ATOM 310 CB ALA A 18 0.399 3.819 5.555 1.00 31.31 C ATOM 0 H ALA A 18 0.604 1.342 5.658 1.00 62.14 H new ATOM 0 HA ALA A 18 -1.577 3.123 5.097 1.00 12.35 H new ATOM 0 HB1 ALA A 18 0.188 4.849 5.267 1.00 31.31 H new ATOM 0 HB2 ALA A 18 0.257 3.706 6.630 1.00 31.31 H new ATOM 0 HB3 ALA A 18 1.430 3.574 5.298 1.00 31.31 H new ATOM 316 N GLN A 19 0.715 2.659 2.725 1.00 12.53 N ATOM 317 CA GLN A 19 1.022 2.818 1.296 1.00 65.41 C ATOM 318 C GLN A 19 0.126 1.953 0.400 1.00 42.42 C ATOM 319 O GLN A 19 -0.183 2.362 -0.720 1.00 54.24 O ATOM 320 CB GLN A 19 2.518 2.518 1.053 1.00 41.14 C ATOM 321 CG GLN A 19 3.007 1.158 1.608 1.00 2.15 C ATOM 322 CD GLN A 19 3.170 0.041 0.585 1.00 2.21 C ATOM 323 OE1 GLN A 19 4.193 -0.032 -0.088 1.00 75.02 O ATOM 324 NE2 GLN A 19 2.219 -0.888 0.531 1.00 41.23 N ATOM 0 H GLN A 19 1.468 2.222 3.256 1.00 12.53 H new ATOM 0 HA GLN A 19 0.813 3.852 1.021 1.00 65.41 H new ATOM 0 HB2 GLN A 19 2.710 2.547 -0.020 1.00 41.14 H new ATOM 0 HB3 GLN A 19 3.111 3.313 1.505 1.00 41.14 H new ATOM 0 HG2 GLN A 19 3.965 1.313 2.103 1.00 2.15 H new ATOM 0 HG3 GLN A 19 2.304 0.825 2.371 1.00 2.15 H new ATOM 0 HE21 GLN A 19 1.381 -0.794 1.105 1.00 41.23 H new ATOM 0 HE22 GLN A 19 2.328 -1.694 -0.085 1.00 41.23 H new ATOM 333 N LEU A 20 -0.285 0.756 0.890 1.00 62.34 N ATOM 334 CA LEU A 20 -1.229 -0.093 0.140 1.00 31.32 C ATOM 335 C LEU A 20 -2.582 0.605 0.101 1.00 22.24 C ATOM 336 O LEU A 20 -3.204 0.642 -0.943 1.00 63.14 O ATOM 337 CB LEU A 20 -1.335 -1.555 0.710 1.00 2.44 C ATOM 338 CG LEU A 20 -2.388 -1.902 1.853 1.00 73.51 C ATOM 339 CD1 LEU A 20 -3.816 -2.188 1.309 1.00 64.21 C ATOM 340 CD2 LEU A 20 -1.920 -3.095 2.699 1.00 1.41 C ATOM 0 H LEU A 20 0.018 0.368 1.783 1.00 62.34 H new ATOM 0 HA LEU A 20 -0.850 -0.218 -0.874 1.00 31.32 H new ATOM 0 HB2 LEU A 20 -1.545 -2.214 -0.132 1.00 2.44 H new ATOM 0 HB3 LEU A 20 -0.349 -1.825 1.088 1.00 2.44 H new ATOM 0 HG LEU A 20 -2.445 -1.008 2.475 1.00 73.51 H new ATOM 0 HD11 LEU A 20 -4.483 -2.417 2.140 1.00 64.21 H new ATOM 0 HD12 LEU A 20 -4.186 -1.311 0.778 1.00 64.21 H new ATOM 0 HD13 LEU A 20 -3.782 -3.037 0.626 1.00 64.21 H new ATOM 0 HD21 LEU A 20 -2.660 -3.307 3.470 1.00 1.41 H new ATOM 0 HD22 LEU A 20 -1.801 -3.970 2.060 1.00 1.41 H new ATOM 0 HD23 LEU A 20 -0.966 -2.856 3.168 1.00 1.41 H new ATOM 352 N HIS A 21 -3.006 1.169 1.263 1.00 42.50 N ATOM 353 CA HIS A 21 -4.277 1.902 1.401 1.00 15.01 C ATOM 354 C HIS A 21 -4.372 2.977 0.313 1.00 52.45 C ATOM 355 O HIS A 21 -5.281 2.928 -0.501 1.00 22.23 O ATOM 356 CB HIS A 21 -4.387 2.518 2.825 1.00 72.31 C ATOM 357 CG HIS A 21 -5.571 3.427 3.075 1.00 65.12 C ATOM 358 ND1 HIS A 21 -6.789 2.968 3.525 1.00 52.22 N ATOM 359 CD2 HIS A 21 -5.702 4.777 2.973 1.00 11.53 C ATOM 360 CE1 HIS A 21 -7.603 3.990 3.705 1.00 23.52 C ATOM 361 NE2 HIS A 21 -6.969 5.096 3.376 1.00 12.52 N ATOM 0 H HIS A 21 -2.468 1.124 2.129 1.00 42.50 H new ATOM 0 HA HIS A 21 -5.113 1.214 1.273 1.00 15.01 H new ATOM 0 HB2 HIS A 21 -4.423 1.703 3.548 1.00 72.31 H new ATOM 0 HB3 HIS A 21 -3.476 3.081 3.025 1.00 72.31 H new ATOM 0 HD2 HIS A 21 -4.945 5.469 2.636 1.00 11.53 H new ATOM 0 HE1 HIS A 21 -8.620 3.930 4.063 1.00 23.52 H new ATOM 0 HE2 HIS A 21 -7.359 6.037 3.415 1.00 12.52 H new ATOM 370 N ASP A 22 -3.357 3.865 0.261 1.00 12.22 N ATOM 371 CA ASP A 22 -3.292 4.970 -0.718 1.00 74.31 C ATOM 372 C ASP A 22 -3.279 4.464 -2.163 1.00 5.12 C ATOM 373 O ASP A 22 -4.049 4.967 -2.979 1.00 72.11 O ATOM 374 CB ASP A 22 -2.069 5.885 -0.456 1.00 55.53 C ATOM 375 CG ASP A 22 -2.200 6.645 0.870 1.00 75.35 C ATOM 376 OD1 ASP A 22 -1.822 6.092 1.917 1.00 65.44 O ATOM 377 OD2 ASP A 22 -2.711 7.782 0.879 1.00 31.40 O ATOM 0 H ASP A 22 -2.560 3.836 0.897 1.00 12.22 H new ATOM 0 HA ASP A 22 -4.200 5.558 -0.583 1.00 74.31 H new ATOM 0 HB2 ASP A 22 -1.161 5.283 -0.441 1.00 55.53 H new ATOM 0 HB3 ASP A 22 -1.966 6.597 -1.275 1.00 55.53 H new ATOM 382 N THR A 23 -2.431 3.451 -2.461 1.00 43.52 N ATOM 383 CA THR A 23 -2.294 2.912 -3.831 1.00 62.23 C ATOM 384 C THR A 23 -3.586 2.187 -4.280 1.00 22.22 C ATOM 385 O THR A 23 -3.890 2.158 -5.465 1.00 4.22 O ATOM 386 CB THR A 23 -1.041 1.977 -3.986 1.00 51.11 C ATOM 387 OG1 THR A 23 0.114 2.648 -3.450 1.00 13.44 O ATOM 388 CG2 THR A 23 -0.756 1.600 -5.470 1.00 20.14 C ATOM 0 H THR A 23 -1.834 2.993 -1.772 1.00 43.52 H new ATOM 0 HA THR A 23 -2.135 3.767 -4.489 1.00 62.23 H new ATOM 0 HB THR A 23 -1.252 1.055 -3.444 1.00 51.11 H new ATOM 0 HG1 THR A 23 0.095 2.600 -2.471 1.00 13.44 H new ATOM 0 HG21 THR A 23 0.120 0.953 -5.519 1.00 20.14 H new ATOM 0 HG22 THR A 23 -1.618 1.076 -5.884 1.00 20.14 H new ATOM 0 HG23 THR A 23 -0.571 2.506 -6.046 1.00 20.14 H new ATOM 396 N ASN A 24 -4.355 1.640 -3.310 1.00 21.01 N ATOM 397 CA ASN A 24 -5.642 0.958 -3.576 1.00 30.31 C ATOM 398 C ASN A 24 -6.730 1.998 -3.908 1.00 45.03 C ATOM 399 O ASN A 24 -7.499 1.809 -4.862 1.00 33.11 O ATOM 400 CB ASN A 24 -6.088 0.064 -2.371 1.00 51.22 C ATOM 401 CG ASN A 24 -5.358 -1.290 -2.242 1.00 62.31 C ATOM 402 OD1 ASN A 24 -4.069 -1.347 -2.544 1.00 2.31 O flip ATOM 403 ND2 ASN A 24 -5.958 -2.279 -1.831 1.00 42.04 N flip ATOM 0 H ASN A 24 -4.101 1.659 -2.322 1.00 21.01 H new ATOM 0 HA ASN A 24 -5.500 0.299 -4.433 1.00 30.31 H new ATOM 0 HB2 ASN A 24 -5.939 0.626 -1.449 1.00 51.22 H new ATOM 0 HB3 ASN A 24 -7.158 -0.127 -2.459 1.00 51.22 H new ATOM 0 HD21 ASN A 24 -6.950 -2.216 -1.604 1.00 42.04 H new ATOM 0 HD22 ASN A 24 -5.464 -3.164 -1.717 1.00 42.04 H new ATOM 410 N MET A 25 -6.793 3.090 -3.095 1.00 10.34 N ATOM 411 CA MET A 25 -7.683 4.238 -3.349 1.00 52.44 C ATOM 412 C MET A 25 -7.446 4.806 -4.750 1.00 75.04 C ATOM 413 O MET A 25 -8.347 4.811 -5.582 1.00 53.02 O ATOM 414 CB MET A 25 -7.462 5.377 -2.312 1.00 74.55 C ATOM 415 CG MET A 25 -7.536 4.959 -0.848 1.00 75.22 C ATOM 416 SD MET A 25 -7.698 6.370 0.279 1.00 4.02 S ATOM 417 CE MET A 25 -6.192 7.292 -0.037 1.00 75.32 C ATOM 0 H MET A 25 -6.228 3.190 -2.252 1.00 10.34 H new ATOM 0 HA MET A 25 -8.705 3.870 -3.262 1.00 52.44 H new ATOM 0 HB2 MET A 25 -6.485 5.825 -2.494 1.00 74.55 H new ATOM 0 HB3 MET A 25 -8.207 6.153 -2.488 1.00 74.55 H new ATOM 0 HG2 MET A 25 -8.385 4.289 -0.709 1.00 75.22 H new ATOM 0 HG3 MET A 25 -6.639 4.395 -0.590 1.00 75.22 H new ATOM 0 HE1 MET A 25 -6.382 8.357 0.098 1.00 75.32 H new ATOM 0 HE2 MET A 25 -5.416 6.971 0.658 1.00 75.32 H new ATOM 0 HE3 MET A 25 -5.861 7.109 -1.059 1.00 75.32 H new ATOM 427 N GLU A 26 -6.194 5.224 -4.998 1.00 32.24 N ATOM 428 CA GLU A 26 -5.809 5.928 -6.223 1.00 1.00 C ATOM 429 C GLU A 26 -5.825 4.992 -7.441 1.00 12.24 C ATOM 430 O GLU A 26 -5.840 5.473 -8.542 1.00 74.33 O ATOM 431 CB GLU A 26 -4.425 6.624 -6.054 1.00 41.02 C ATOM 432 CG GLU A 26 -3.217 5.673 -6.015 1.00 62.13 C ATOM 433 CD GLU A 26 -1.902 6.368 -5.616 1.00 24.04 C ATOM 434 OE1 GLU A 26 -1.200 6.894 -6.501 1.00 61.33 O ATOM 435 OE2 GLU A 26 -1.571 6.395 -4.410 1.00 4.34 O ATOM 0 H GLU A 26 -5.420 5.080 -4.349 1.00 32.24 H new ATOM 0 HA GLU A 26 -6.551 6.705 -6.407 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -4.287 7.328 -6.875 1.00 41.02 H new ATOM 0 HB3 GLU A 26 -4.439 7.207 -5.133 1.00 41.02 H new ATOM 0 HG2 GLU A 26 -3.421 4.867 -5.310 1.00 62.13 H new ATOM 0 HG3 GLU A 26 -3.093 5.215 -6.996 1.00 62.13 H new ATOM 442 N LEU A 27 -5.791 3.652 -7.235 1.00 75.14 N ATOM 443 CA LEU A 27 -6.046 2.670 -8.307 1.00 24.14 C ATOM 444 C LEU A 27 -7.520 2.764 -8.736 1.00 12.12 C ATOM 445 O LEU A 27 -7.815 2.914 -9.921 1.00 1.40 O ATOM 446 CB LEU A 27 -5.669 1.244 -7.801 1.00 22.04 C ATOM 447 CG LEU A 27 -5.638 0.045 -8.829 1.00 42.53 C ATOM 448 CD1 LEU A 27 -4.863 -1.143 -8.238 1.00 53.01 C ATOM 449 CD2 LEU A 27 -7.047 -0.434 -9.279 1.00 24.31 C ATOM 0 H LEU A 27 -5.588 3.230 -6.329 1.00 75.14 H new ATOM 0 HA LEU A 27 -5.430 2.883 -9.181 1.00 24.14 H new ATOM 0 HB2 LEU A 27 -4.682 1.309 -7.343 1.00 22.04 H new ATOM 0 HB3 LEU A 27 -6.371 0.980 -7.010 1.00 22.04 H new ATOM 0 HG LEU A 27 -5.136 0.429 -9.717 1.00 42.53 H new ATOM 0 HD11 LEU A 27 -4.849 -1.962 -8.957 1.00 53.01 H new ATOM 0 HD12 LEU A 27 -3.840 -0.837 -8.017 1.00 53.01 H new ATOM 0 HD13 LEU A 27 -5.349 -1.474 -7.320 1.00 53.01 H new ATOM 0 HD21 LEU A 27 -6.943 -1.259 -9.984 1.00 24.31 H new ATOM 0 HD22 LEU A 27 -7.612 -0.769 -8.409 1.00 24.31 H new ATOM 0 HD23 LEU A 27 -7.575 0.390 -9.760 1.00 24.31 H new ATOM 461 N THR A 28 -8.428 2.680 -7.752 1.00 71.55 N ATOM 462 CA THR A 28 -9.882 2.690 -7.990 1.00 4.34 C ATOM 463 C THR A 28 -10.315 4.023 -8.645 1.00 50.54 C ATOM 464 O THR A 28 -11.122 4.036 -9.584 1.00 14.32 O ATOM 465 CB THR A 28 -10.651 2.455 -6.653 1.00 44.34 C ATOM 466 OG1 THR A 28 -10.143 1.268 -6.019 1.00 41.31 O ATOM 467 CG2 THR A 28 -12.175 2.317 -6.857 1.00 32.31 C ATOM 0 H THR A 28 -8.176 2.603 -6.767 1.00 71.55 H new ATOM 0 HA THR A 28 -10.129 1.879 -8.675 1.00 4.34 H new ATOM 0 HB THR A 28 -10.489 3.331 -6.024 1.00 44.34 H new ATOM 0 HG1 THR A 28 -9.282 1.466 -5.595 1.00 41.31 H new ATOM 0 HG21 THR A 28 -12.658 2.155 -5.893 1.00 32.31 H new ATOM 0 HG22 THR A 28 -12.565 3.228 -7.310 1.00 32.31 H new ATOM 0 HG23 THR A 28 -12.379 1.470 -7.512 1.00 32.31 H new ATOM 475 N ASP A 29 -9.722 5.128 -8.149 1.00 41.13 N ATOM 476 CA ASP A 29 -9.874 6.470 -8.723 1.00 1.31 C ATOM 477 C ASP A 29 -9.338 6.504 -10.158 1.00 41.00 C ATOM 478 O ASP A 29 -10.075 6.866 -11.059 1.00 72.34 O ATOM 479 CB ASP A 29 -9.160 7.535 -7.839 1.00 45.12 C ATOM 480 CG ASP A 29 -9.991 7.929 -6.608 1.00 23.25 C ATOM 481 OD1 ASP A 29 -10.780 8.896 -6.702 1.00 54.14 O ATOM 482 OD2 ASP A 29 -9.890 7.257 -5.561 1.00 42.23 O ATOM 0 H ASP A 29 -9.117 5.107 -7.328 1.00 41.13 H new ATOM 0 HA ASP A 29 -10.936 6.713 -8.749 1.00 1.31 H new ATOM 0 HB2 ASP A 29 -8.196 7.145 -7.513 1.00 45.12 H new ATOM 0 HB3 ASP A 29 -8.959 8.424 -8.437 1.00 45.12 H new ATOM 487 N LEU A 30 -8.076 6.052 -10.349 1.00 73.32 N ATOM 488 CA LEU A 30 -7.362 6.103 -11.650 1.00 5.40 C ATOM 489 C LEU A 30 -8.140 5.393 -12.753 1.00 1.15 C ATOM 490 O LEU A 30 -8.276 5.943 -13.830 1.00 22.14 O ATOM 491 CB LEU A 30 -5.912 5.519 -11.529 1.00 21.14 C ATOM 492 CG LEU A 30 -4.737 6.549 -11.524 1.00 22.21 C ATOM 493 CD1 LEU A 30 -4.420 7.031 -12.949 1.00 45.23 C ATOM 494 CD2 LEU A 30 -5.030 7.740 -10.577 1.00 52.50 C ATOM 0 H LEU A 30 -7.520 5.639 -9.601 1.00 73.32 H new ATOM 0 HA LEU A 30 -7.282 7.154 -11.927 1.00 5.40 H new ATOM 0 HB2 LEU A 30 -5.856 4.935 -10.610 1.00 21.14 H new ATOM 0 HB3 LEU A 30 -5.754 4.827 -12.356 1.00 21.14 H new ATOM 0 HG LEU A 30 -3.853 6.040 -11.140 1.00 22.21 H new ATOM 0 HD11 LEU A 30 -3.599 7.747 -12.917 1.00 45.23 H new ATOM 0 HD12 LEU A 30 -4.135 6.179 -13.566 1.00 45.23 H new ATOM 0 HD13 LEU A 30 -5.302 7.509 -13.376 1.00 45.23 H new ATOM 0 HD21 LEU A 30 -4.192 8.437 -10.598 1.00 52.50 H new ATOM 0 HD22 LEU A 30 -5.935 8.251 -10.905 1.00 52.50 H new ATOM 0 HD23 LEU A 30 -5.169 7.371 -9.561 1.00 52.50 H new ATOM 506 N LYS A 31 -8.668 4.193 -12.452 1.00 2.24 N ATOM 507 CA LYS A 31 -9.401 3.388 -13.439 1.00 73.40 C ATOM 508 C LYS A 31 -10.762 4.033 -13.752 1.00 62.24 C ATOM 509 O LYS A 31 -11.202 4.048 -14.913 1.00 12.14 O ATOM 510 CB LYS A 31 -9.517 1.901 -12.959 1.00 51.14 C ATOM 511 CG LYS A 31 -10.515 1.563 -11.805 1.00 43.11 C ATOM 512 CD LYS A 31 -11.957 1.247 -12.299 1.00 70.01 C ATOM 513 CE LYS A 31 -11.993 0.117 -13.352 1.00 14.03 C ATOM 514 NZ LYS A 31 -13.363 -0.137 -13.865 1.00 54.32 N ATOM 0 H LYS A 31 -8.599 3.761 -11.531 1.00 2.24 H new ATOM 0 HA LYS A 31 -8.845 3.366 -14.376 1.00 73.40 H new ATOM 0 HB2 LYS A 31 -9.792 1.295 -13.822 1.00 51.14 H new ATOM 0 HB3 LYS A 31 -8.525 1.576 -12.644 1.00 51.14 H new ATOM 0 HG2 LYS A 31 -10.136 0.707 -11.247 1.00 43.11 H new ATOM 0 HG3 LYS A 31 -10.554 2.403 -11.112 1.00 43.11 H new ATOM 0 HD2 LYS A 31 -12.575 0.963 -11.447 1.00 70.01 H new ATOM 0 HD3 LYS A 31 -12.396 2.149 -12.725 1.00 70.01 H new ATOM 0 HE2 LYS A 31 -11.339 0.379 -14.184 1.00 14.03 H new ATOM 0 HE3 LYS A 31 -11.598 -0.798 -12.912 1.00 14.03 H new ATOM 0 HZ1 LYS A 31 -13.423 -1.110 -14.228 1.00 54.32 H new ATOM 0 HZ2 LYS A 31 -14.051 -0.012 -13.095 1.00 54.32 H new ATOM 0 HZ3 LYS A 31 -13.576 0.532 -14.632 1.00 54.32 H new ATOM 528 N LEU A 32 -11.389 4.603 -12.699 1.00 3.21 N ATOM 529 CA LEU A 32 -12.704 5.249 -12.791 1.00 42.52 C ATOM 530 C LEU A 32 -12.630 6.440 -13.756 1.00 0.25 C ATOM 531 O LEU A 32 -13.313 6.459 -14.781 1.00 34.52 O ATOM 532 CB LEU A 32 -13.161 5.710 -11.378 1.00 21.14 C ATOM 533 CG LEU A 32 -14.578 6.358 -11.267 1.00 31.23 C ATOM 534 CD1 LEU A 32 -15.685 5.356 -11.651 1.00 62.05 C ATOM 535 CD2 LEU A 32 -14.814 6.945 -9.853 1.00 74.25 C ATOM 0 H LEU A 32 -10.990 4.624 -11.761 1.00 3.21 H new ATOM 0 HA LEU A 32 -13.435 4.538 -13.176 1.00 42.52 H new ATOM 0 HB2 LEU A 32 -13.131 4.846 -10.714 1.00 21.14 H new ATOM 0 HB3 LEU A 32 -12.430 6.427 -11.003 1.00 21.14 H new ATOM 0 HG LEU A 32 -14.622 7.182 -11.979 1.00 31.23 H new ATOM 0 HD11 LEU A 32 -16.659 5.838 -11.563 1.00 62.05 H new ATOM 0 HD12 LEU A 32 -15.535 5.025 -12.679 1.00 62.05 H new ATOM 0 HD13 LEU A 32 -15.645 4.496 -10.983 1.00 62.05 H new ATOM 0 HD21 LEU A 32 -15.808 7.389 -9.805 1.00 74.25 H new ATOM 0 HD22 LEU A 32 -14.736 6.150 -9.111 1.00 74.25 H new ATOM 0 HD23 LEU A 32 -14.065 7.709 -9.647 1.00 74.25 H new ATOM 547 N GLN A 33 -11.739 7.398 -13.434 1.00 71.14 N ATOM 548 CA GLN A 33 -11.545 8.618 -14.221 1.00 52.25 C ATOM 549 C GLN A 33 -10.975 8.291 -15.621 1.00 43.33 C ATOM 550 O GLN A 33 -11.314 8.978 -16.597 1.00 62.23 O ATOM 551 CB GLN A 33 -10.624 9.623 -13.463 1.00 55.15 C ATOM 552 CG GLN A 33 -9.239 9.059 -13.083 1.00 14.14 C ATOM 553 CD GLN A 33 -8.165 10.094 -12.778 1.00 13.40 C ATOM 554 OE1 GLN A 33 -6.927 9.702 -13.005 1.00 53.21 O flip ATOM 555 NE2 GLN A 33 -8.441 11.209 -12.337 1.00 25.24 N flip ATOM 0 H GLN A 33 -11.134 7.341 -12.615 1.00 71.14 H new ATOM 0 HA GLN A 33 -12.518 9.089 -14.360 1.00 52.25 H new ATOM 0 HB2 GLN A 33 -10.484 10.508 -14.084 1.00 55.15 H new ATOM 0 HB3 GLN A 33 -11.132 9.948 -12.555 1.00 55.15 H new ATOM 0 HG2 GLN A 33 -9.356 8.416 -12.211 1.00 14.14 H new ATOM 0 HG3 GLN A 33 -8.888 8.428 -13.899 1.00 14.14 H new ATOM 0 HE21 GLN A 33 -9.415 11.468 -12.177 1.00 25.24 H new ATOM 0 HE22 GLN A 33 -7.696 11.875 -12.131 1.00 25.24 H new ATOM 564 N LEU A 34 -10.126 7.233 -15.706 1.00 63.23 N ATOM 565 CA LEU A 34 -9.480 6.803 -16.967 1.00 13.12 C ATOM 566 C LEU A 34 -10.538 6.623 -18.040 1.00 53.14 C ATOM 567 O LEU A 34 -10.523 7.377 -19.027 1.00 15.20 O ATOM 568 CB LEU A 34 -8.637 5.498 -16.772 1.00 23.42 C ATOM 569 CG LEU A 34 -7.894 4.860 -18.016 1.00 65.11 C ATOM 570 CD1 LEU A 34 -8.753 3.831 -18.780 1.00 11.43 C ATOM 571 CD2 LEU A 34 -7.363 5.941 -18.978 1.00 60.34 C ATOM 0 H LEU A 34 -9.873 6.658 -14.902 1.00 63.23 H new ATOM 0 HA LEU A 34 -8.782 7.579 -17.283 1.00 13.12 H new ATOM 0 HB2 LEU A 34 -7.884 5.706 -16.012 1.00 23.42 H new ATOM 0 HB3 LEU A 34 -9.302 4.737 -16.362 1.00 23.42 H new ATOM 0 HG LEU A 34 -7.046 4.316 -17.601 1.00 65.11 H new ATOM 0 HD11 LEU A 34 -8.183 3.433 -19.620 1.00 11.43 H new ATOM 0 HD12 LEU A 34 -9.027 3.017 -18.109 1.00 11.43 H new ATOM 0 HD13 LEU A 34 -9.656 4.315 -19.151 1.00 11.43 H new ATOM 0 HD21 LEU A 34 -6.859 5.464 -19.819 1.00 60.34 H new ATOM 0 HD22 LEU A 34 -8.195 6.541 -19.346 1.00 60.34 H new ATOM 0 HD23 LEU A 34 -6.658 6.583 -18.450 1.00 60.34 H new ATOM 583 N GLU A 35 -11.472 5.679 -17.771 1.00 24.31 N ATOM 584 CA GLU A 35 -12.544 5.296 -18.706 1.00 32.33 C ATOM 585 C GLU A 35 -13.602 6.415 -18.863 1.00 23.51 C ATOM 586 O GLU A 35 -14.290 6.468 -19.884 1.00 13.33 O ATOM 587 CB GLU A 35 -13.188 3.956 -18.256 1.00 53.13 C ATOM 588 CG GLU A 35 -13.887 3.998 -16.884 1.00 41.55 C ATOM 589 CD GLU A 35 -14.258 2.602 -16.359 1.00 63.11 C ATOM 590 OE1 GLU A 35 -13.365 1.911 -15.835 1.00 55.11 O ATOM 591 OE2 GLU A 35 -15.427 2.177 -16.488 1.00 13.31 O ATOM 0 H GLU A 35 -11.498 5.162 -16.892 1.00 24.31 H new ATOM 0 HA GLU A 35 -12.101 5.152 -19.691 1.00 32.33 H new ATOM 0 HB2 GLU A 35 -13.915 3.649 -19.008 1.00 53.13 H new ATOM 0 HB3 GLU A 35 -12.414 3.189 -18.229 1.00 53.13 H new ATOM 0 HG2 GLU A 35 -13.233 4.490 -16.164 1.00 41.55 H new ATOM 0 HG3 GLU A 35 -14.790 4.604 -16.960 1.00 41.55 H new ATOM 598 N LYS A 36 -13.719 7.309 -17.843 1.00 72.53 N ATOM 599 CA LYS A 36 -14.487 8.583 -17.962 1.00 61.14 C ATOM 600 C LYS A 36 -13.799 9.543 -18.971 1.00 22.22 C ATOM 601 O LYS A 36 -14.375 10.567 -19.346 1.00 71.22 O ATOM 602 CB LYS A 36 -14.597 9.273 -16.572 1.00 32.45 C ATOM 603 CG LYS A 36 -15.521 8.561 -15.558 1.00 32.14 C ATOM 604 CD LYS A 36 -15.348 9.085 -14.108 1.00 43.22 C ATOM 605 CE LYS A 36 -15.589 10.595 -13.965 1.00 22.44 C ATOM 606 NZ LYS A 36 -16.985 10.974 -14.312 1.00 72.42 N ATOM 0 H LYS A 36 -13.291 7.171 -16.927 1.00 72.53 H new ATOM 0 HA LYS A 36 -15.487 8.349 -18.327 1.00 61.14 H new ATOM 0 HB2 LYS A 36 -13.599 9.347 -16.141 1.00 32.45 H new ATOM 0 HB3 LYS A 36 -14.958 10.291 -16.717 1.00 32.45 H new ATOM 0 HG2 LYS A 36 -16.558 8.694 -15.865 1.00 32.14 H new ATOM 0 HG3 LYS A 36 -15.317 7.490 -15.578 1.00 32.14 H new ATOM 0 HD2 LYS A 36 -16.038 8.552 -13.454 1.00 43.22 H new ATOM 0 HD3 LYS A 36 -14.340 8.853 -13.765 1.00 43.22 H new ATOM 0 HE2 LYS A 36 -15.375 10.900 -12.941 1.00 22.44 H new ATOM 0 HE3 LYS A 36 -14.896 11.135 -14.610 1.00 22.44 H new ATOM 0 HZ1 LYS A 36 -17.103 12.001 -14.202 1.00 72.42 H new ATOM 0 HZ2 LYS A 36 -17.183 10.707 -15.297 1.00 72.42 H new ATOM 0 HZ3 LYS A 36 -17.646 10.479 -13.680 1.00 72.42 H new ATOM 620 N ALA A 37 -12.541 9.205 -19.315 1.00 42.43 N ATOM 621 CA ALA A 37 -11.698 9.871 -20.319 1.00 15.55 C ATOM 622 C ALA A 37 -11.060 11.086 -19.677 1.00 74.32 C ATOM 623 O ALA A 37 -11.292 12.231 -20.079 1.00 15.31 O ATOM 624 CB ALA A 37 -12.423 10.177 -21.655 1.00 52.02 C ATOM 0 H ALA A 37 -12.063 8.418 -18.875 1.00 42.43 H new ATOM 0 HA ALA A 37 -10.914 9.180 -20.629 1.00 15.55 H new ATOM 0 HB1 ALA A 37 -11.732 10.668 -22.340 1.00 52.02 H new ATOM 0 HB2 ALA A 37 -12.775 9.246 -22.100 1.00 52.02 H new ATOM 0 HB3 ALA A 37 -13.273 10.833 -21.466 1.00 52.02 H new ATOM 630 N THR A 38 -10.273 10.802 -18.620 1.00 74.22 N ATOM 631 CA THR A 38 -9.644 11.883 -17.802 1.00 15.04 C ATOM 632 C THR A 38 -8.401 12.463 -18.484 1.00 3.13 C ATOM 633 O THR A 38 -7.840 11.859 -19.414 1.00 24.05 O ATOM 634 CB THR A 38 -9.246 11.409 -16.372 1.00 43.11 C ATOM 635 OG1 THR A 38 -8.822 12.521 -15.550 1.00 62.33 O ATOM 636 CG2 THR A 38 -8.125 10.371 -16.417 1.00 33.33 C ATOM 0 H THR A 38 -10.055 9.855 -18.309 1.00 74.22 H new ATOM 0 HA THR A 38 -10.410 12.653 -17.713 1.00 15.04 H new ATOM 0 HB THR A 38 -10.135 10.955 -15.935 1.00 43.11 H new ATOM 0 HG1 THR A 38 -7.967 12.305 -15.123 1.00 62.33 H new ATOM 0 HG21 THR A 38 -7.873 10.063 -15.402 1.00 33.33 H new ATOM 0 HG22 THR A 38 -8.455 9.503 -16.988 1.00 33.33 H new ATOM 0 HG23 THR A 38 -7.246 10.805 -16.893 1.00 33.33 H new ATOM 644 N GLN A 39 -7.956 13.629 -17.989 1.00 54.12 N ATOM 645 CA GLN A 39 -6.752 14.286 -18.492 1.00 2.34 C ATOM 646 C GLN A 39 -5.563 14.149 -17.507 1.00 42.42 C ATOM 647 O GLN A 39 -4.411 14.117 -17.942 1.00 72.33 O ATOM 648 CB GLN A 39 -7.063 15.758 -18.903 1.00 63.14 C ATOM 649 CG GLN A 39 -7.516 16.731 -17.787 1.00 25.30 C ATOM 650 CD GLN A 39 -6.364 17.361 -16.998 1.00 43.41 C ATOM 651 OE1 GLN A 39 -5.249 17.492 -17.506 1.00 20.31 O ATOM 652 NE2 GLN A 39 -6.624 17.764 -15.767 1.00 2.53 N ATOM 0 H GLN A 39 -8.421 14.135 -17.235 1.00 54.12 H new ATOM 0 HA GLN A 39 -6.428 13.773 -19.397 1.00 2.34 H new ATOM 0 HB2 GLN A 39 -6.169 16.173 -19.369 1.00 63.14 H new ATOM 0 HB3 GLN A 39 -7.840 15.737 -19.667 1.00 63.14 H new ATOM 0 HG2 GLN A 39 -8.113 17.526 -18.234 1.00 25.30 H new ATOM 0 HG3 GLN A 39 -8.165 16.195 -17.095 1.00 25.30 H new ATOM 0 HE21 GLN A 39 -7.558 17.641 -15.377 1.00 2.53 H new ATOM 0 HE22 GLN A 39 -5.891 18.199 -15.207 1.00 2.53 H new ATOM 661 N ARG A 40 -5.832 14.035 -16.184 1.00 33.43 N ATOM 662 CA ARG A 40 -4.750 13.975 -15.160 1.00 30.32 C ATOM 663 C ARG A 40 -5.294 13.483 -13.794 1.00 1.21 C ATOM 664 O ARG A 40 -6.507 13.343 -13.605 1.00 23.22 O ATOM 665 CB ARG A 40 -4.073 15.387 -15.022 1.00 52.12 C ATOM 666 CG ARG A 40 -2.739 15.426 -14.237 1.00 71.34 C ATOM 667 CD ARG A 40 -2.193 16.851 -14.042 1.00 10.15 C ATOM 668 NE ARG A 40 -0.999 16.868 -13.170 1.00 51.14 N ATOM 669 CZ ARG A 40 -0.873 17.557 -12.024 1.00 32.23 C ATOM 670 NH1 ARG A 40 -1.865 18.322 -11.572 1.00 71.42 N ATOM 671 NH2 ARG A 40 0.251 17.485 -11.332 1.00 72.31 N ATOM 0 H ARG A 40 -6.775 13.983 -15.800 1.00 33.43 H new ATOM 0 HA ARG A 40 -4.001 13.254 -15.487 1.00 30.32 H new ATOM 0 HB2 ARG A 40 -3.895 15.782 -16.022 1.00 52.12 H new ATOM 0 HB3 ARG A 40 -4.778 16.060 -14.535 1.00 52.12 H new ATOM 0 HG2 ARG A 40 -2.885 14.963 -13.261 1.00 71.34 H new ATOM 0 HG3 ARG A 40 -1.996 14.828 -14.765 1.00 71.34 H new ATOM 0 HD2 ARG A 40 -1.941 17.279 -15.012 1.00 10.15 H new ATOM 0 HD3 ARG A 40 -2.969 17.481 -13.608 1.00 10.15 H new ATOM 0 HE ARG A 40 -0.200 16.307 -13.465 1.00 51.14 H new ATOM 0 HH11 ARG A 40 -2.736 18.391 -12.098 1.00 71.42 H new ATOM 0 HH12 ARG A 40 -1.754 18.839 -10.700 1.00 71.42 H new ATOM 0 HH21 ARG A 40 1.021 16.907 -11.669 1.00 72.31 H new ATOM 0 HH22 ARG A 40 0.348 18.008 -10.461 1.00 72.31 H new ATOM 685 N GLN A 41 -4.364 13.194 -12.861 1.00 70.10 N ATOM 686 CA GLN A 41 -4.664 12.877 -11.455 1.00 64.04 C ATOM 687 C GLN A 41 -3.756 13.693 -10.523 1.00 31.13 C ATOM 688 O GLN A 41 -2.842 14.402 -10.967 1.00 43.22 O ATOM 689 CB GLN A 41 -4.495 11.357 -11.153 1.00 23.53 C ATOM 690 CG GLN A 41 -3.149 10.717 -11.603 1.00 21.30 C ATOM 691 CD GLN A 41 -3.082 10.422 -13.108 1.00 12.42 C ATOM 692 OE1 GLN A 41 -4.107 10.198 -13.744 1.00 70.11 O ATOM 693 NE2 GLN A 41 -1.889 10.403 -13.689 1.00 1.15 N ATOM 0 H GLN A 41 -3.366 13.175 -13.070 1.00 70.10 H new ATOM 0 HA GLN A 41 -5.707 13.141 -11.277 1.00 64.04 H new ATOM 0 HB2 GLN A 41 -4.605 11.206 -10.079 1.00 23.53 H new ATOM 0 HB3 GLN A 41 -5.310 10.818 -11.636 1.00 23.53 H new ATOM 0 HG2 GLN A 41 -2.331 11.386 -11.336 1.00 21.30 H new ATOM 0 HG3 GLN A 41 -2.995 9.789 -11.052 1.00 21.30 H new ATOM 0 HE21 GLN A 41 -1.051 10.592 -13.139 1.00 1.15 H new ATOM 0 HE22 GLN A 41 -1.810 10.199 -14.685 1.00 1.15 H new ATOM 702 N GLU A 42 -4.012 13.554 -9.215 1.00 34.41 N ATOM 703 CA GLU A 42 -3.211 14.160 -8.149 1.00 63.51 C ATOM 704 C GLU A 42 -2.728 13.042 -7.205 1.00 4.55 C ATOM 705 O GLU A 42 -3.498 12.498 -6.397 1.00 64.25 O ATOM 706 CB GLU A 42 -4.024 15.268 -7.412 1.00 75.32 C ATOM 707 CG GLU A 42 -5.453 14.867 -6.971 1.00 75.43 C ATOM 708 CD GLU A 42 -6.203 16.002 -6.248 1.00 41.02 C ATOM 709 OE1 GLU A 42 -6.231 16.019 -4.996 1.00 72.33 O ATOM 710 OE2 GLU A 42 -6.749 16.899 -6.930 1.00 62.54 O ATOM 0 H GLU A 42 -4.798 13.006 -8.864 1.00 34.41 H new ATOM 0 HA GLU A 42 -2.335 14.658 -8.564 1.00 63.51 H new ATOM 0 HB2 GLU A 42 -3.464 15.578 -6.530 1.00 75.32 H new ATOM 0 HB3 GLU A 42 -4.095 16.137 -8.066 1.00 75.32 H new ATOM 0 HG2 GLU A 42 -6.025 14.562 -7.847 1.00 75.43 H new ATOM 0 HG3 GLU A 42 -5.394 14.001 -6.312 1.00 75.43 H new ATOM 717 N ARG A 43 -1.453 12.650 -7.391 1.00 72.41 N ATOM 718 CA ARG A 43 -0.789 11.617 -6.582 1.00 44.25 C ATOM 719 C ARG A 43 -0.567 12.142 -5.154 1.00 52.34 C ATOM 720 O ARG A 43 -1.131 11.607 -4.203 1.00 24.25 O ATOM 721 CB ARG A 43 0.556 11.198 -7.239 1.00 53.41 C ATOM 722 CG ARG A 43 0.415 10.548 -8.634 1.00 74.30 C ATOM 723 CD ARG A 43 -0.407 9.253 -8.593 1.00 63.23 C ATOM 724 NE ARG A 43 -0.480 8.573 -9.900 1.00 35.24 N ATOM 725 CZ ARG A 43 -1.273 7.518 -10.172 1.00 53.32 C ATOM 726 NH1 ARG A 43 -2.063 7.002 -9.230 1.00 31.15 N ATOM 727 NH2 ARG A 43 -1.264 6.974 -11.386 1.00 12.40 N ATOM 0 H ARG A 43 -0.852 13.046 -8.114 1.00 72.41 H new ATOM 0 HA ARG A 43 -1.426 10.734 -6.532 1.00 44.25 H new ATOM 0 HB2 ARG A 43 1.193 12.078 -7.325 1.00 53.41 H new ATOM 0 HB3 ARG A 43 1.067 10.499 -6.577 1.00 53.41 H new ATOM 0 HG2 ARG A 43 -0.059 11.255 -9.315 1.00 74.30 H new ATOM 0 HG3 ARG A 43 1.406 10.334 -9.035 1.00 74.30 H new ATOM 0 HD2 ARG A 43 0.031 8.575 -7.861 1.00 63.23 H new ATOM 0 HD3 ARG A 43 -1.417 9.481 -8.252 1.00 63.23 H new ATOM 0 HE ARG A 43 0.112 8.927 -10.652 1.00 35.24 H new ATOM 0 HH11 ARG A 43 -2.071 7.406 -8.293 1.00 31.15 H new ATOM 0 HH12 ARG A 43 -2.660 6.203 -9.446 1.00 31.15 H new ATOM 0 HH21 ARG A 43 -0.657 7.355 -12.111 1.00 12.40 H new ATOM 0 HH22 ARG A 43 -1.864 6.175 -11.591 1.00 12.40 H new ATOM 741 N PHE A 44 0.239 13.212 -5.031 1.00 41.54 N ATOM 742 CA PHE A 44 0.504 13.894 -3.746 1.00 11.12 C ATOM 743 C PHE A 44 -0.251 15.231 -3.716 1.00 31.14 C ATOM 744 O PHE A 44 -0.281 15.966 -4.711 1.00 40.43 O ATOM 745 CB PHE A 44 2.033 14.107 -3.563 1.00 23.15 C ATOM 746 CG PHE A 44 2.432 14.755 -2.229 1.00 71.24 C ATOM 747 CD1 PHE A 44 2.485 14.000 -1.059 1.00 22.30 C ATOM 748 CD2 PHE A 44 2.750 16.116 -2.146 1.00 22.23 C ATOM 749 CE1 PHE A 44 2.840 14.577 0.144 1.00 3.43 C ATOM 750 CE2 PHE A 44 3.103 16.690 -0.943 1.00 52.32 C ATOM 751 CZ PHE A 44 3.149 15.921 0.203 1.00 44.40 C ATOM 0 H PHE A 44 0.728 13.632 -5.822 1.00 41.54 H new ATOM 0 HA PHE A 44 0.151 13.277 -2.920 1.00 11.12 H new ATOM 0 HB2 PHE A 44 2.534 13.143 -3.648 1.00 23.15 H new ATOM 0 HB3 PHE A 44 2.400 14.730 -4.379 1.00 23.15 H new ATOM 0 HD1 PHE A 44 2.245 12.948 -1.094 1.00 22.30 H new ATOM 0 HD2 PHE A 44 2.718 16.725 -3.037 1.00 22.23 H new ATOM 0 HE1 PHE A 44 2.876 13.976 1.040 1.00 3.43 H new ATOM 0 HE2 PHE A 44 3.344 17.742 -0.897 1.00 52.32 H new ATOM 0 HZ PHE A 44 3.427 16.371 1.145 1.00 44.40 H new TER 761 PHE A 44 ATOM 762 N ASP B 101 10.348 -18.185 21.733 1.00 74.42 N ATOM 763 CA ASP B 101 8.961 -17.859 22.070 1.00 2.11 C ATOM 764 C ASP B 101 8.501 -16.655 21.237 1.00 1.41 C ATOM 765 O ASP B 101 7.359 -16.595 20.780 1.00 44.01 O ATOM 766 CB ASP B 101 8.826 -17.574 23.586 1.00 43.13 C ATOM 767 CG ASP B 101 9.366 -18.726 24.454 1.00 41.31 C ATOM 768 OD1 ASP B 101 8.613 -19.685 24.732 1.00 52.03 O ATOM 769 OD2 ASP B 101 10.558 -18.688 24.841 1.00 61.44 O ATOM 0 HA ASP B 101 8.322 -18.710 21.835 1.00 2.11 H new ATOM 0 HB2 ASP B 101 9.364 -16.658 23.829 1.00 43.13 H new ATOM 0 HB3 ASP B 101 7.777 -17.402 23.828 1.00 43.13 H new ATOM 774 N PHE B 102 9.430 -15.707 21.041 1.00 54.31 N ATOM 775 CA PHE B 102 9.222 -14.495 20.221 1.00 75.13 C ATOM 776 C PHE B 102 9.707 -14.718 18.764 1.00 50.51 C ATOM 777 O PHE B 102 9.484 -13.877 17.884 1.00 74.00 O ATOM 778 CB PHE B 102 9.981 -13.315 20.853 1.00 64.12 C ATOM 779 CG PHE B 102 9.529 -12.926 22.262 1.00 3.01 C ATOM 780 CD1 PHE B 102 10.095 -13.524 23.392 1.00 13.23 C ATOM 781 CD2 PHE B 102 8.563 -11.936 22.457 1.00 21.55 C ATOM 782 CE1 PHE B 102 9.706 -13.145 24.660 1.00 11.31 C ATOM 783 CE2 PHE B 102 8.175 -11.563 23.722 1.00 45.11 C ATOM 784 CZ PHE B 102 8.747 -12.167 24.824 1.00 72.33 C ATOM 0 H PHE B 102 10.362 -15.758 21.452 1.00 54.31 H new ATOM 0 HA PHE B 102 8.155 -14.273 20.191 1.00 75.13 H new ATOM 0 HB2 PHE B 102 11.042 -13.562 20.885 1.00 64.12 H new ATOM 0 HB3 PHE B 102 9.876 -12.447 20.203 1.00 64.12 H new ATOM 0 HD1 PHE B 102 10.845 -14.291 23.271 1.00 13.23 H new ATOM 0 HD2 PHE B 102 8.114 -11.456 21.600 1.00 21.55 H new ATOM 0 HE1 PHE B 102 10.152 -13.614 25.524 1.00 11.31 H new ATOM 0 HE2 PHE B 102 7.424 -10.798 23.854 1.00 45.11 H new ATOM 0 HZ PHE B 102 8.443 -11.873 25.818 1.00 72.33 H new ATOM 794 N LYS B 103 10.375 -15.858 18.524 1.00 24.24 N ATOM 795 CA LYS B 103 10.855 -16.259 17.185 1.00 23.34 C ATOM 796 C LYS B 103 9.674 -16.324 16.192 1.00 30.13 C ATOM 797 O LYS B 103 9.779 -15.926 15.026 1.00 61.13 O ATOM 798 CB LYS B 103 11.626 -17.622 17.267 1.00 65.45 C ATOM 799 CG LYS B 103 10.790 -18.949 17.403 1.00 21.41 C ATOM 800 CD LYS B 103 9.717 -18.953 18.539 1.00 12.42 C ATOM 801 CE LYS B 103 9.575 -20.302 19.262 1.00 34.31 C ATOM 802 NZ LYS B 103 10.810 -20.678 20.002 1.00 23.12 N ATOM 0 H LYS B 103 10.600 -16.533 19.255 1.00 24.24 H new ATOM 0 HA LYS B 103 11.555 -15.510 16.816 1.00 23.34 H new ATOM 0 HB2 LYS B 103 12.243 -17.709 16.373 1.00 65.45 H new ATOM 0 HB3 LYS B 103 12.305 -17.569 18.118 1.00 65.45 H new ATOM 0 HG2 LYS B 103 10.290 -19.142 16.454 1.00 21.41 H new ATOM 0 HG3 LYS B 103 11.479 -19.776 17.574 1.00 21.41 H new ATOM 0 HD2 LYS B 103 9.974 -18.186 19.270 1.00 12.42 H new ATOM 0 HD3 LYS B 103 8.752 -18.677 18.114 1.00 12.42 H new ATOM 0 HE2 LYS B 103 8.738 -20.252 19.958 1.00 34.31 H new ATOM 0 HE3 LYS B 103 9.339 -21.079 18.535 1.00 34.31 H new ATOM 0 HZ1 LYS B 103 10.620 -21.511 20.594 1.00 23.12 H new ATOM 0 HZ2 LYS B 103 11.567 -20.900 19.324 1.00 23.12 H new ATOM 0 HZ3 LYS B 103 11.108 -19.885 20.606 1.00 23.12 H new ATOM 816 N LYS B 104 8.516 -16.742 16.733 1.00 31.25 N ATOM 817 CA LYS B 104 7.295 -16.916 15.979 1.00 11.31 C ATOM 818 C LYS B 104 6.692 -15.544 15.637 1.00 14.01 C ATOM 819 O LYS B 104 6.091 -15.425 14.589 1.00 33.40 O ATOM 820 CB LYS B 104 6.299 -17.826 16.770 1.00 51.22 C ATOM 821 CG LYS B 104 5.591 -17.155 17.981 1.00 72.21 C ATOM 822 CD LYS B 104 4.125 -16.711 17.650 1.00 10.44 C ATOM 823 CE LYS B 104 3.588 -15.635 18.599 1.00 64.22 C ATOM 824 NZ LYS B 104 2.151 -15.325 18.369 1.00 54.10 N ATOM 0 H LYS B 104 8.417 -16.968 17.723 1.00 31.25 H new ATOM 0 HA LYS B 104 7.511 -17.420 15.037 1.00 11.31 H new ATOM 0 HB2 LYS B 104 5.536 -18.185 16.079 1.00 51.22 H new ATOM 0 HB3 LYS B 104 6.841 -18.701 17.128 1.00 51.22 H new ATOM 0 HG2 LYS B 104 5.576 -17.851 18.820 1.00 72.21 H new ATOM 0 HG3 LYS B 104 6.167 -16.286 18.299 1.00 72.21 H new ATOM 0 HD2 LYS B 104 4.089 -16.335 16.628 1.00 10.44 H new ATOM 0 HD3 LYS B 104 3.471 -17.582 17.692 1.00 10.44 H new ATOM 0 HE2 LYS B 104 3.723 -15.966 19.629 1.00 64.22 H new ATOM 0 HE3 LYS B 104 4.175 -14.725 18.477 1.00 64.22 H new ATOM 0 HZ1 LYS B 104 1.843 -14.591 19.039 1.00 54.10 H new ATOM 0 HZ2 LYS B 104 2.021 -14.982 17.396 1.00 54.10 H new ATOM 0 HZ3 LYS B 104 1.583 -16.185 18.512 1.00 54.10 H new ATOM 838 N LEU B 105 6.880 -14.497 16.522 1.00 11.13 N ATOM 839 CA LEU B 105 6.391 -13.122 16.233 1.00 12.10 C ATOM 840 C LEU B 105 7.093 -12.619 14.979 1.00 23.10 C ATOM 841 O LEU B 105 6.462 -11.967 14.138 1.00 53.34 O ATOM 842 CB LEU B 105 6.555 -12.098 17.445 1.00 23.14 C ATOM 843 CG LEU B 105 7.912 -11.268 17.639 1.00 32.43 C ATOM 844 CD1 LEU B 105 8.097 -10.107 16.635 1.00 13.42 C ATOM 845 CD2 LEU B 105 8.035 -10.709 19.070 1.00 64.00 C ATOM 0 H LEU B 105 7.358 -14.591 17.418 1.00 11.13 H new ATOM 0 HA LEU B 105 5.314 -13.180 16.076 1.00 12.10 H new ATOM 0 HB2 LEU B 105 5.745 -11.373 17.364 1.00 23.14 H new ATOM 0 HB3 LEU B 105 6.389 -12.660 18.364 1.00 23.14 H new ATOM 0 HG LEU B 105 8.701 -11.994 17.446 1.00 32.43 H new ATOM 0 HD11 LEU B 105 9.040 -9.598 16.837 1.00 13.42 H new ATOM 0 HD12 LEU B 105 8.108 -10.503 15.619 1.00 13.42 H new ATOM 0 HD13 LEU B 105 7.274 -9.400 16.740 1.00 13.42 H new ATOM 0 HD21 LEU B 105 8.967 -10.152 19.164 1.00 64.00 H new ATOM 0 HD22 LEU B 105 7.194 -10.046 19.275 1.00 64.00 H new ATOM 0 HD23 LEU B 105 8.031 -11.533 19.784 1.00 64.00 H new ATOM 857 N TYR B 106 8.425 -12.919 14.882 1.00 60.50 N ATOM 858 CA TYR B 106 9.224 -12.581 13.698 1.00 42.32 C ATOM 859 C TYR B 106 8.565 -13.172 12.445 1.00 61.21 C ATOM 860 O TYR B 106 8.315 -12.457 11.485 1.00 70.13 O ATOM 861 CB TYR B 106 10.686 -13.088 13.836 1.00 72.52 C ATOM 862 CG TYR B 106 11.667 -12.472 12.813 1.00 52.54 C ATOM 863 CD1 TYR B 106 12.031 -13.131 11.637 1.00 64.32 C ATOM 864 CD2 TYR B 106 12.206 -11.207 13.036 1.00 53.31 C ATOM 865 CE1 TYR B 106 12.895 -12.543 10.730 1.00 52.22 C ATOM 866 CE2 TYR B 106 13.066 -10.613 12.141 1.00 60.52 C ATOM 867 CZ TYR B 106 13.409 -11.282 10.986 1.00 54.42 C ATOM 868 OH TYR B 106 14.265 -10.693 10.085 1.00 2.21 O ATOM 0 H TYR B 106 8.951 -13.393 15.616 1.00 60.50 H new ATOM 0 HA TYR B 106 9.262 -11.495 13.607 1.00 42.32 H new ATOM 0 HB2 TYR B 106 11.042 -12.868 14.842 1.00 72.52 H new ATOM 0 HB3 TYR B 106 10.695 -14.172 13.725 1.00 72.52 H new ATOM 0 HD1 TYR B 106 11.633 -14.114 11.432 1.00 64.32 H new ATOM 0 HD2 TYR B 106 11.941 -10.676 13.939 1.00 53.31 H new ATOM 0 HE1 TYR B 106 13.168 -13.066 9.825 1.00 52.22 H new ATOM 0 HE2 TYR B 106 13.469 -9.631 12.342 1.00 60.52 H new ATOM 0 HH TYR B 106 14.532 -9.810 10.416 1.00 2.21 H new ATOM 878 N GLU B 107 8.219 -14.472 12.510 1.00 71.42 N ATOM 879 CA GLU B 107 7.520 -15.171 11.411 1.00 11.11 C ATOM 880 C GLU B 107 6.097 -14.614 11.141 1.00 24.51 C ATOM 881 O GLU B 107 5.690 -14.584 9.990 1.00 52.10 O ATOM 882 CB GLU B 107 7.479 -16.710 11.679 1.00 2.40 C ATOM 883 CG GLU B 107 8.700 -17.500 11.145 1.00 31.11 C ATOM 884 CD GLU B 107 10.049 -17.044 11.724 1.00 2.24 C ATOM 885 OE1 GLU B 107 10.408 -17.500 12.823 1.00 23.15 O ATOM 886 OE2 GLU B 107 10.759 -16.235 11.081 1.00 44.32 O ATOM 0 H GLU B 107 8.413 -15.064 13.318 1.00 71.42 H new ATOM 0 HA GLU B 107 8.095 -14.984 10.504 1.00 11.11 H new ATOM 0 HB2 GLU B 107 7.400 -16.875 12.754 1.00 2.40 H new ATOM 0 HB3 GLU B 107 6.575 -17.118 11.227 1.00 2.40 H new ATOM 0 HG2 GLU B 107 8.560 -18.558 11.369 1.00 31.11 H new ATOM 0 HG3 GLU B 107 8.733 -17.406 10.060 1.00 31.11 H new ATOM 893 N GLN B 108 5.358 -14.175 12.193 1.00 14.44 N ATOM 894 CA GLN B 108 3.969 -13.660 12.035 1.00 75.41 C ATOM 895 C GLN B 108 3.957 -12.363 11.214 1.00 3.14 C ATOM 896 O GLN B 108 3.293 -12.277 10.168 1.00 5.34 O ATOM 897 CB GLN B 108 3.246 -13.403 13.405 1.00 51.25 C ATOM 898 CG GLN B 108 3.135 -14.614 14.365 1.00 35.11 C ATOM 899 CD GLN B 108 2.815 -15.938 13.649 1.00 11.12 C ATOM 900 OE1 GLN B 108 1.657 -16.309 13.491 1.00 3.24 O ATOM 901 NE2 GLN B 108 3.845 -16.644 13.198 1.00 0.51 N ATOM 0 H GLN B 108 5.697 -14.167 13.155 1.00 14.44 H new ATOM 0 HA GLN B 108 3.421 -14.443 11.511 1.00 75.41 H new ATOM 0 HB2 GLN B 108 3.773 -12.603 13.924 1.00 51.25 H new ATOM 0 HB3 GLN B 108 2.240 -13.039 13.197 1.00 51.25 H new ATOM 0 HG2 GLN B 108 4.073 -14.722 14.910 1.00 35.11 H new ATOM 0 HG3 GLN B 108 2.359 -14.412 15.103 1.00 35.11 H new ATOM 0 HE21 GLN B 108 4.797 -16.308 13.345 1.00 0.51 H new ATOM 0 HE22 GLN B 108 3.684 -17.522 12.704 1.00 0.51 H new ATOM 910 N ILE B 109 4.704 -11.355 11.707 1.00 15.22 N ATOM 911 CA ILE B 109 4.718 -10.013 11.108 1.00 64.44 C ATOM 912 C ILE B 109 5.438 -10.022 9.743 1.00 51.15 C ATOM 913 O ILE B 109 5.025 -9.308 8.837 1.00 3.11 O ATOM 914 CB ILE B 109 5.385 -8.931 12.040 1.00 70.12 C ATOM 915 CG1 ILE B 109 4.909 -9.057 13.518 1.00 41.13 C ATOM 916 CG2 ILE B 109 5.080 -7.506 11.509 1.00 0.14 C ATOM 917 CD1 ILE B 109 5.582 -8.076 14.465 1.00 41.42 C ATOM 0 H ILE B 109 5.308 -11.450 12.524 1.00 15.22 H new ATOM 0 HA ILE B 109 3.672 -9.737 10.972 1.00 64.44 H new ATOM 0 HB ILE B 109 6.461 -9.107 12.022 1.00 70.12 H new ATOM 0 HG12 ILE B 109 3.831 -8.904 13.557 1.00 41.13 H new ATOM 0 HG13 ILE B 109 5.099 -10.072 13.866 1.00 41.13 H new ATOM 0 HG21 ILE B 109 5.546 -6.767 12.161 1.00 0.14 H new ATOM 0 HG22 ILE B 109 5.478 -7.401 10.500 1.00 0.14 H new ATOM 0 HG23 ILE B 109 4.002 -7.347 11.493 1.00 0.14 H new ATOM 0 HD11 ILE B 109 5.199 -8.224 15.475 1.00 41.42 H new ATOM 0 HD12 ILE B 109 6.659 -8.243 14.457 1.00 41.42 H new ATOM 0 HD13 ILE B 109 5.371 -7.056 14.143 1.00 41.42 H new ATOM 929 N LEU B 110 6.521 -10.823 9.622 1.00 12.54 N ATOM 930 CA LEU B 110 7.306 -10.938 8.361 1.00 25.14 C ATOM 931 C LEU B 110 6.502 -11.705 7.284 1.00 25.01 C ATOM 932 O LEU B 110 6.646 -11.412 6.102 1.00 54.22 O ATOM 933 CB LEU B 110 8.712 -11.590 8.618 1.00 24.10 C ATOM 934 CG LEU B 110 9.900 -11.256 7.628 1.00 43.31 C ATOM 935 CD1 LEU B 110 9.764 -11.926 6.243 1.00 72.01 C ATOM 936 CD2 LEU B 110 10.097 -9.730 7.493 1.00 74.24 C ATOM 0 H LEU B 110 6.876 -11.403 10.382 1.00 12.54 H new ATOM 0 HA LEU B 110 7.489 -9.932 7.982 1.00 25.14 H new ATOM 0 HB2 LEU B 110 9.029 -11.306 9.621 1.00 24.10 H new ATOM 0 HB3 LEU B 110 8.579 -12.672 8.620 1.00 24.10 H new ATOM 0 HG LEU B 110 10.794 -11.687 8.078 1.00 43.31 H new ATOM 0 HD11 LEU B 110 10.615 -11.650 5.620 1.00 72.01 H new ATOM 0 HD12 LEU B 110 9.738 -13.009 6.364 1.00 72.01 H new ATOM 0 HD13 LEU B 110 8.842 -11.592 5.766 1.00 72.01 H new ATOM 0 HD21 LEU B 110 10.920 -9.529 6.807 1.00 74.24 H new ATOM 0 HD22 LEU B 110 9.183 -9.278 7.107 1.00 74.24 H new ATOM 0 HD23 LEU B 110 10.327 -9.305 8.470 1.00 74.24 H new ATOM 948 N ALA B 111 5.652 -12.679 7.696 1.00 11.44 N ATOM 949 CA ALA B 111 4.756 -13.398 6.754 1.00 70.24 C ATOM 950 C ALA B 111 3.732 -12.422 6.164 1.00 11.13 C ATOM 951 O ALA B 111 3.474 -12.423 4.953 1.00 71.13 O ATOM 952 CB ALA B 111 4.049 -14.581 7.439 1.00 14.31 C ATOM 0 H ALA B 111 5.568 -12.983 8.666 1.00 11.44 H new ATOM 0 HA ALA B 111 5.365 -13.807 5.948 1.00 70.24 H new ATOM 0 HB1 ALA B 111 3.402 -15.084 6.720 1.00 14.31 H new ATOM 0 HB2 ALA B 111 4.794 -15.284 7.811 1.00 14.31 H new ATOM 0 HB3 ALA B 111 3.450 -14.214 8.272 1.00 14.31 H new ATOM 958 N GLU B 112 3.182 -11.573 7.050 1.00 34.41 N ATOM 959 CA GLU B 112 2.280 -10.488 6.668 1.00 14.10 C ATOM 960 C GLU B 112 3.027 -9.453 5.802 1.00 14.20 C ATOM 961 O GLU B 112 2.493 -8.991 4.827 1.00 33.42 O ATOM 962 CB GLU B 112 1.690 -9.817 7.933 1.00 1.14 C ATOM 963 CG GLU B 112 0.635 -8.722 7.652 1.00 73.33 C ATOM 964 CD GLU B 112 -0.704 -9.217 7.076 1.00 63.31 C ATOM 965 OE1 GLU B 112 -1.433 -8.393 6.487 1.00 60.35 O ATOM 966 OE2 GLU B 112 -1.050 -10.413 7.213 1.00 32.23 O ATOM 0 H GLU B 112 3.356 -11.626 8.054 1.00 34.41 H new ATOM 0 HA GLU B 112 1.460 -10.900 6.080 1.00 14.10 H new ATOM 0 HB2 GLU B 112 1.237 -10.587 8.558 1.00 1.14 H new ATOM 0 HB3 GLU B 112 2.505 -9.378 8.508 1.00 1.14 H new ATOM 0 HG2 GLU B 112 0.435 -8.189 8.582 1.00 73.33 H new ATOM 0 HG3 GLU B 112 1.064 -8.000 6.957 1.00 73.33 H new ATOM 973 N ASN B 113 4.286 -9.155 6.174 1.00 42.44 N ATOM 974 CA ASN B 113 5.157 -8.149 5.509 1.00 14.23 C ATOM 975 C ASN B 113 5.492 -8.576 4.065 1.00 32.22 C ATOM 976 O ASN B 113 5.524 -7.744 3.154 1.00 75.53 O ATOM 977 CB ASN B 113 6.455 -7.981 6.356 1.00 62.40 C ATOM 978 CG ASN B 113 7.503 -7.027 5.774 1.00 1.32 C ATOM 979 OD1 ASN B 113 8.315 -7.426 4.947 1.00 10.40 O ATOM 980 ND2 ASN B 113 7.525 -5.782 6.229 1.00 23.23 N ATOM 0 H ASN B 113 4.743 -9.614 6.962 1.00 42.44 H new ATOM 0 HA ASN B 113 4.633 -7.195 5.448 1.00 14.23 H new ATOM 0 HB2 ASN B 113 6.177 -7.626 7.348 1.00 62.40 H new ATOM 0 HB3 ASN B 113 6.913 -8.962 6.485 1.00 62.40 H new ATOM 0 HD21 ASN B 113 8.231 -5.128 5.891 1.00 23.23 H new ATOM 0 HD22 ASN B 113 6.836 -5.478 6.917 1.00 23.23 H new ATOM 987 N GLU B 114 5.740 -9.885 3.897 1.00 3.42 N ATOM 988 CA GLU B 114 6.009 -10.516 2.597 1.00 42.22 C ATOM 989 C GLU B 114 4.747 -10.487 1.729 1.00 22.24 C ATOM 990 O GLU B 114 4.807 -10.169 0.534 1.00 12.04 O ATOM 991 CB GLU B 114 6.529 -11.986 2.789 1.00 43.21 C ATOM 992 CG GLU B 114 6.115 -12.969 1.667 1.00 12.43 C ATOM 993 CD GLU B 114 6.899 -14.290 1.662 1.00 64.53 C ATOM 994 OE1 GLU B 114 6.481 -15.241 2.350 1.00 21.44 O ATOM 995 OE2 GLU B 114 7.948 -14.370 0.982 1.00 45.23 O ATOM 0 H GLU B 114 5.759 -10.545 4.675 1.00 3.42 H new ATOM 0 HA GLU B 114 6.791 -9.952 2.088 1.00 42.22 H new ATOM 0 HB2 GLU B 114 7.617 -11.967 2.854 1.00 43.21 H new ATOM 0 HB3 GLU B 114 6.160 -12.366 3.741 1.00 43.21 H new ATOM 0 HG2 GLU B 114 5.053 -13.191 1.768 1.00 12.43 H new ATOM 0 HG3 GLU B 114 6.247 -12.478 0.703 1.00 12.43 H new ATOM 1002 N LYS B 115 3.614 -10.856 2.341 1.00 72.51 N ATOM 1003 CA LYS B 115 2.310 -10.790 1.686 1.00 14.31 C ATOM 1004 C LYS B 115 2.025 -9.355 1.227 1.00 13.32 C ATOM 1005 O LYS B 115 1.596 -9.139 0.101 1.00 61.45 O ATOM 1006 CB LYS B 115 1.166 -11.243 2.624 1.00 45.11 C ATOM 1007 CG LYS B 115 -0.220 -11.265 1.927 1.00 3.13 C ATOM 1008 CD LYS B 115 -1.412 -11.206 2.895 1.00 60.44 C ATOM 1009 CE LYS B 115 -1.572 -9.822 3.545 1.00 20.15 C ATOM 1010 NZ LYS B 115 -2.733 -9.792 4.472 1.00 51.20 N ATOM 0 H LYS B 115 3.580 -11.206 3.298 1.00 72.51 H new ATOM 0 HA LYS B 115 2.347 -11.466 0.832 1.00 14.31 H new ATOM 0 HB2 LYS B 115 1.390 -12.239 3.006 1.00 45.11 H new ATOM 0 HB3 LYS B 115 1.123 -10.575 3.484 1.00 45.11 H new ATOM 0 HG2 LYS B 115 -0.282 -10.421 1.240 1.00 3.13 H new ATOM 0 HG3 LYS B 115 -0.298 -12.171 1.327 1.00 3.13 H new ATOM 0 HD2 LYS B 115 -2.326 -11.460 2.358 1.00 60.44 H new ATOM 0 HD3 LYS B 115 -1.281 -11.957 3.674 1.00 60.44 H new ATOM 0 HE2 LYS B 115 -0.663 -9.566 4.089 1.00 20.15 H new ATOM 0 HE3 LYS B 115 -1.703 -9.067 2.770 1.00 20.15 H new ATOM 0 HZ1 LYS B 115 -2.497 -9.217 5.306 1.00 51.20 H new ATOM 0 HZ2 LYS B 115 -3.554 -9.378 3.987 1.00 51.20 H new ATOM 0 HZ3 LYS B 115 -2.962 -10.761 4.774 1.00 51.20 H new ATOM 1024 N LEU B 116 2.307 -8.386 2.127 1.00 2.14 N ATOM 1025 CA LEU B 116 2.059 -6.962 1.885 1.00 73.43 C ATOM 1026 C LEU B 116 2.982 -6.447 0.774 1.00 34.00 C ATOM 1027 O LEU B 116 2.610 -5.548 0.035 1.00 22.44 O ATOM 1028 CB LEU B 116 2.186 -6.106 3.178 1.00 32.13 C ATOM 1029 CG LEU B 116 1.088 -6.343 4.268 1.00 53.51 C ATOM 1030 CD1 LEU B 116 1.305 -5.451 5.505 1.00 40.41 C ATOM 1031 CD2 LEU B 116 -0.334 -6.171 3.703 1.00 21.33 C ATOM 0 H LEU B 116 2.714 -8.579 3.042 1.00 2.14 H new ATOM 0 HA LEU B 116 1.025 -6.858 1.556 1.00 73.43 H new ATOM 0 HB2 LEU B 116 3.161 -6.301 3.625 1.00 32.13 H new ATOM 0 HB3 LEU B 116 2.169 -5.053 2.896 1.00 32.13 H new ATOM 0 HG LEU B 116 1.188 -7.380 4.589 1.00 53.51 H new ATOM 0 HD11 LEU B 116 0.521 -5.647 6.237 1.00 40.41 H new ATOM 0 HD12 LEU B 116 2.277 -5.671 5.946 1.00 40.41 H new ATOM 0 HD13 LEU B 116 1.270 -4.403 5.208 1.00 40.41 H new ATOM 0 HD21 LEU B 116 -1.063 -6.345 4.494 1.00 21.33 H new ATOM 0 HD22 LEU B 116 -0.452 -5.159 3.317 1.00 21.33 H new ATOM 0 HD23 LEU B 116 -0.495 -6.888 2.898 1.00 21.33 H new ATOM 1043 N LYS B 117 4.161 -7.075 0.656 1.00 0.14 N ATOM 1044 CA LYS B 117 5.143 -6.786 -0.400 1.00 4.33 C ATOM 1045 C LYS B 117 4.580 -7.218 -1.772 1.00 14.01 C ATOM 1046 O LYS B 117 4.659 -6.473 -2.752 1.00 14.40 O ATOM 1047 CB LYS B 117 6.483 -7.532 -0.089 1.00 40.30 C ATOM 1048 CG LYS B 117 7.773 -6.799 -0.516 1.00 30.32 C ATOM 1049 CD LYS B 117 7.999 -5.491 0.276 1.00 3.22 C ATOM 1050 CE LYS B 117 7.982 -5.701 1.804 1.00 51.22 C ATOM 1051 NZ LYS B 117 8.957 -6.729 2.254 1.00 60.30 N ATOM 0 H LYS B 117 4.463 -7.807 1.299 1.00 0.14 H new ATOM 0 HA LYS B 117 5.341 -5.715 -0.432 1.00 4.33 H new ATOM 0 HB2 LYS B 117 6.532 -7.720 0.984 1.00 40.30 H new ATOM 0 HB3 LYS B 117 6.459 -8.504 -0.582 1.00 40.30 H new ATOM 0 HG2 LYS B 117 8.628 -7.460 -0.372 1.00 30.32 H new ATOM 0 HG3 LYS B 117 7.722 -6.571 -1.581 1.00 30.32 H new ATOM 0 HD2 LYS B 117 8.956 -5.057 -0.015 1.00 3.22 H new ATOM 0 HD3 LYS B 117 7.227 -4.771 0.005 1.00 3.22 H new ATOM 0 HE2 LYS B 117 8.203 -4.755 2.299 1.00 51.22 H new ATOM 0 HE3 LYS B 117 6.980 -5.996 2.115 1.00 51.22 H new ATOM 0 HZ1 LYS B 117 8.822 -6.915 3.268 1.00 60.30 H new ATOM 0 HZ2 LYS B 117 8.808 -7.607 1.718 1.00 60.30 H new ATOM 0 HZ3 LYS B 117 9.925 -6.384 2.091 1.00 60.30 H new ATOM 1065 N ALA B 118 3.976 -8.419 -1.788 1.00 72.23 N ATOM 1066 CA ALA B 118 3.459 -9.063 -3.003 1.00 25.13 C ATOM 1067 C ALA B 118 2.206 -8.342 -3.527 1.00 13.05 C ATOM 1068 O ALA B 118 2.093 -8.066 -4.727 1.00 12.32 O ATOM 1069 CB ALA B 118 3.153 -10.542 -2.709 1.00 20.10 C ATOM 0 H ALA B 118 3.832 -8.975 -0.945 1.00 72.23 H new ATOM 0 HA ALA B 118 4.220 -9.001 -3.781 1.00 25.13 H new ATOM 0 HB1 ALA B 118 2.769 -11.020 -3.610 1.00 20.10 H new ATOM 0 HB2 ALA B 118 4.066 -11.046 -2.391 1.00 20.10 H new ATOM 0 HB3 ALA B 118 2.407 -10.609 -1.917 1.00 20.10 H new ATOM 1075 N GLN B 119 1.275 -8.034 -2.598 1.00 62.34 N ATOM 1076 CA GLN B 119 -0.014 -7.407 -2.920 1.00 74.24 C ATOM 1077 C GLN B 119 0.173 -5.959 -3.387 1.00 45.10 C ATOM 1078 O GLN B 119 -0.480 -5.545 -4.335 1.00 1.41 O ATOM 1079 CB GLN B 119 -1.006 -7.503 -1.713 1.00 24.24 C ATOM 1080 CG GLN B 119 -0.553 -6.820 -0.403 1.00 33.43 C ATOM 1081 CD GLN B 119 -0.929 -5.345 -0.240 1.00 12.01 C ATOM 1082 OE1 GLN B 119 -0.056 -4.586 0.416 1.00 62.14 O flip ATOM 1083 NE2 GLN B 119 -1.962 -4.882 -0.728 1.00 73.45 N flip ATOM 0 H GLN B 119 1.402 -8.216 -1.602 1.00 62.34 H new ATOM 0 HA GLN B 119 -0.456 -7.959 -3.749 1.00 74.24 H new ATOM 0 HB2 GLN B 119 -1.958 -7.066 -2.016 1.00 24.24 H new ATOM 0 HB3 GLN B 119 -1.191 -8.557 -1.504 1.00 24.24 H new ATOM 0 HG2 GLN B 119 -0.975 -7.375 0.435 1.00 33.43 H new ATOM 0 HG3 GLN B 119 0.531 -6.907 -0.330 1.00 33.43 H new ATOM 0 HE21 GLN B 119 -2.610 -5.493 -1.225 1.00 73.45 H new ATOM 0 HE22 GLN B 119 -2.169 -3.888 -0.635 1.00 73.45 H new ATOM 1092 N LEU B 120 1.086 -5.200 -2.720 1.00 41.32 N ATOM 1093 CA LEU B 120 1.367 -3.795 -3.080 1.00 0.41 C ATOM 1094 C LEU B 120 2.006 -3.737 -4.470 1.00 3.33 C ATOM 1095 O LEU B 120 1.688 -2.852 -5.259 1.00 51.23 O ATOM 1096 CB LEU B 120 2.276 -3.088 -2.009 1.00 31.12 C ATOM 1097 CG LEU B 120 3.856 -3.237 -2.115 1.00 64.22 C ATOM 1098 CD1 LEU B 120 4.499 -2.180 -3.048 1.00 34.41 C ATOM 1099 CD2 LEU B 120 4.537 -3.191 -0.741 1.00 24.12 C ATOM 0 H LEU B 120 1.635 -5.544 -1.932 1.00 41.32 H new ATOM 0 HA LEU B 120 0.423 -3.251 -3.100 1.00 0.41 H new ATOM 0 HB2 LEU B 120 2.044 -2.023 -2.033 1.00 31.12 H new ATOM 0 HB3 LEU B 120 1.976 -3.458 -1.028 1.00 31.12 H new ATOM 0 HG LEU B 120 4.020 -4.221 -2.555 1.00 64.22 H new ATOM 0 HD11 LEU B 120 5.578 -2.332 -3.081 1.00 34.41 H new ATOM 0 HD12 LEU B 120 4.088 -2.283 -4.052 1.00 34.41 H new ATOM 0 HD13 LEU B 120 4.284 -1.181 -2.668 1.00 34.41 H new ATOM 0 HD21 LEU B 120 5.615 -3.297 -0.865 1.00 24.12 H new ATOM 0 HD22 LEU B 120 4.319 -2.238 -0.259 1.00 24.12 H new ATOM 0 HD23 LEU B 120 4.162 -4.005 -0.121 1.00 24.12 H new ATOM 1111 N HIS B 121 2.933 -4.692 -4.734 1.00 64.53 N ATOM 1112 CA HIS B 121 3.648 -4.799 -6.013 1.00 53.45 C ATOM 1113 C HIS B 121 2.628 -5.004 -7.136 1.00 14.53 C ATOM 1114 O HIS B 121 2.674 -4.309 -8.148 1.00 13.31 O ATOM 1115 CB HIS B 121 4.679 -5.963 -5.946 1.00 3.02 C ATOM 1116 CG HIS B 121 5.555 -6.173 -7.166 1.00 41.40 C ATOM 1117 ND1 HIS B 121 6.358 -7.279 -7.306 1.00 34.32 N ATOM 1118 CD2 HIS B 121 5.733 -5.444 -8.302 1.00 71.40 C ATOM 1119 CE1 HIS B 121 6.990 -7.223 -8.461 1.00 34.35 C ATOM 1120 NE2 HIS B 121 6.626 -6.123 -9.085 1.00 3.30 N ATOM 0 H HIS B 121 3.200 -5.408 -4.058 1.00 64.53 H new ATOM 0 HA HIS B 121 4.203 -3.883 -6.217 1.00 53.45 H new ATOM 0 HB2 HIS B 121 5.328 -5.792 -5.087 1.00 3.02 H new ATOM 0 HB3 HIS B 121 4.135 -6.888 -5.755 1.00 3.02 H new ATOM 0 HD2 HIS B 121 5.257 -4.504 -8.541 1.00 71.40 H new ATOM 0 HE1 HIS B 121 7.690 -7.957 -8.833 1.00 34.35 H new ATOM 0 HE2 HIS B 121 6.956 -5.825 -10.003 1.00 3.30 H new ATOM 1129 N ASP B 122 1.676 -5.920 -6.886 1.00 14.02 N ATOM 1130 CA ASP B 122 0.566 -6.211 -7.797 1.00 62.01 C ATOM 1131 C ASP B 122 -0.269 -4.937 -8.038 1.00 2.04 C ATOM 1132 O ASP B 122 -0.512 -4.581 -9.179 1.00 64.55 O ATOM 1133 CB ASP B 122 -0.319 -7.347 -7.213 1.00 65.14 C ATOM 1134 CG ASP B 122 -1.343 -7.901 -8.221 1.00 42.13 C ATOM 1135 OD1 ASP B 122 -1.006 -8.857 -8.953 1.00 11.02 O ATOM 1136 OD2 ASP B 122 -2.484 -7.395 -8.285 1.00 2.14 O ATOM 0 H ASP B 122 1.660 -6.483 -6.035 1.00 14.02 H new ATOM 0 HA ASP B 122 0.968 -6.545 -8.754 1.00 62.01 H new ATOM 0 HB2 ASP B 122 0.323 -8.160 -6.874 1.00 65.14 H new ATOM 0 HB3 ASP B 122 -0.848 -6.972 -6.337 1.00 65.14 H new ATOM 1141 N THR B 123 -0.615 -4.231 -6.931 1.00 20.41 N ATOM 1142 CA THR B 123 -1.452 -3.009 -6.946 1.00 14.22 C ATOM 1143 C THR B 123 -0.781 -1.876 -7.764 1.00 53.25 C ATOM 1144 O THR B 123 -1.459 -1.112 -8.462 1.00 4.42 O ATOM 1145 CB THR B 123 -1.744 -2.511 -5.478 1.00 72.54 C ATOM 1146 OG1 THR B 123 -2.264 -3.583 -4.681 1.00 24.52 O ATOM 1147 CG2 THR B 123 -2.753 -1.357 -5.431 1.00 62.31 C ATOM 0 H THR B 123 -0.316 -4.500 -5.994 1.00 20.41 H new ATOM 0 HA THR B 123 -2.396 -3.266 -7.426 1.00 14.22 H new ATOM 0 HB THR B 123 -0.791 -2.156 -5.086 1.00 72.54 H new ATOM 0 HG1 THR B 123 -1.523 -4.127 -4.342 1.00 24.52 H new ATOM 0 HG21 THR B 123 -2.914 -1.057 -4.396 1.00 62.31 H new ATOM 0 HG22 THR B 123 -2.365 -0.511 -5.998 1.00 62.31 H new ATOM 0 HG23 THR B 123 -3.698 -1.682 -5.866 1.00 62.31 H new ATOM 1155 N ASN B 124 0.567 -1.800 -7.683 1.00 63.52 N ATOM 1156 CA ASN B 124 1.369 -0.812 -8.432 1.00 3.22 C ATOM 1157 C ASN B 124 1.421 -1.178 -9.916 1.00 4.11 C ATOM 1158 O ASN B 124 1.455 -0.287 -10.755 1.00 71.21 O ATOM 1159 CB ASN B 124 2.816 -0.668 -7.866 1.00 11.53 C ATOM 1160 CG ASN B 124 2.912 0.173 -6.588 1.00 5.22 C ATOM 1161 OD1 ASN B 124 2.073 -0.090 -5.602 1.00 5.21 O flip ATOM 1162 ND2 ASN B 124 3.775 1.040 -6.481 1.00 12.23 N flip ATOM 0 H ASN B 124 1.126 -2.421 -7.098 1.00 63.52 H new ATOM 0 HA ASN B 124 0.875 0.152 -8.313 1.00 3.22 H new ATOM 0 HB2 ASN B 124 3.215 -1.662 -7.664 1.00 11.53 H new ATOM 0 HB3 ASN B 124 3.450 -0.219 -8.631 1.00 11.53 H new ATOM 0 HD21 ASN B 124 4.411 1.225 -7.257 1.00 12.23 H new ATOM 0 HD22 ASN B 124 3.856 1.575 -5.617 1.00 12.23 H new ATOM 1169 N MET B 125 1.434 -2.493 -10.225 1.00 21.41 N ATOM 1170 CA MET B 125 1.408 -2.986 -11.610 1.00 43.13 C ATOM 1171 C MET B 125 0.067 -2.658 -12.275 1.00 21.20 C ATOM 1172 O MET B 125 0.042 -2.226 -13.426 1.00 24.42 O ATOM 1173 CB MET B 125 1.688 -4.506 -11.644 1.00 12.32 C ATOM 1174 CG MET B 125 3.085 -4.928 -11.140 1.00 32.31 C ATOM 1175 SD MET B 125 4.412 -4.727 -12.367 1.00 10.34 S ATOM 1176 CE MET B 125 4.839 -2.983 -12.241 1.00 51.34 C ATOM 0 H MET B 125 1.463 -3.233 -9.524 1.00 21.41 H new ATOM 0 HA MET B 125 2.193 -2.482 -12.174 1.00 43.13 H new ATOM 0 HB2 MET B 125 0.934 -5.012 -11.041 1.00 12.32 H new ATOM 0 HB3 MET B 125 1.567 -4.859 -12.668 1.00 12.32 H new ATOM 0 HG2 MET B 125 3.332 -4.342 -10.255 1.00 32.31 H new ATOM 0 HG3 MET B 125 3.047 -5.972 -10.830 1.00 32.31 H new ATOM 0 HE1 MET B 125 5.917 -2.864 -12.348 1.00 51.34 H new ATOM 0 HE2 MET B 125 4.332 -2.426 -13.029 1.00 51.34 H new ATOM 0 HE3 MET B 125 4.526 -2.601 -11.269 1.00 51.34 H new ATOM 1186 N GLU B 126 -1.041 -2.833 -11.526 1.00 3.11 N ATOM 1187 CA GLU B 126 -2.390 -2.484 -12.012 1.00 52.33 C ATOM 1188 C GLU B 126 -2.453 -0.975 -12.276 1.00 3.41 C ATOM 1189 O GLU B 126 -2.998 -0.531 -13.279 1.00 62.55 O ATOM 1190 CB GLU B 126 -3.493 -2.881 -10.994 1.00 44.21 C ATOM 1191 CG GLU B 126 -3.338 -4.276 -10.388 1.00 30.45 C ATOM 1192 CD GLU B 126 -4.492 -4.680 -9.463 1.00 3.55 C ATOM 1193 OE1 GLU B 126 -4.371 -4.524 -8.227 1.00 20.43 O ATOM 1194 OE2 GLU B 126 -5.535 -5.155 -9.965 1.00 54.25 O ATOM 0 H GLU B 126 -1.027 -3.215 -10.580 1.00 3.11 H new ATOM 0 HA GLU B 126 -2.574 -3.040 -12.931 1.00 52.33 H new ATOM 0 HB2 GLU B 126 -3.502 -2.149 -10.186 1.00 44.21 H new ATOM 0 HB3 GLU B 126 -4.462 -2.822 -11.489 1.00 44.21 H new ATOM 0 HG2 GLU B 126 -3.258 -5.005 -11.194 1.00 30.45 H new ATOM 0 HG3 GLU B 126 -2.404 -4.317 -9.828 1.00 30.45 H new ATOM 1201 N LEU B 127 -1.845 -0.211 -11.351 1.00 71.44 N ATOM 1202 CA LEU B 127 -1.732 1.246 -11.442 1.00 33.55 C ATOM 1203 C LEU B 127 -0.793 1.664 -12.617 1.00 41.55 C ATOM 1204 O LEU B 127 -0.968 2.748 -13.183 1.00 41.23 O ATOM 1205 CB LEU B 127 -1.237 1.808 -10.074 1.00 31.35 C ATOM 1206 CG LEU B 127 -1.294 3.357 -9.901 1.00 34.35 C ATOM 1207 CD1 LEU B 127 -2.747 3.858 -9.982 1.00 4.12 C ATOM 1208 CD2 LEU B 127 -0.617 3.811 -8.585 1.00 60.40 C ATOM 0 H LEU B 127 -1.415 -0.598 -10.511 1.00 71.44 H new ATOM 0 HA LEU B 127 -2.711 1.673 -11.659 1.00 33.55 H new ATOM 0 HB2 LEU B 127 -1.832 1.353 -9.282 1.00 31.35 H new ATOM 0 HB3 LEU B 127 -0.207 1.485 -9.924 1.00 31.35 H new ATOM 0 HG LEU B 127 -0.732 3.804 -10.721 1.00 34.35 H new ATOM 0 HD11 LEU B 127 -2.766 4.941 -9.859 1.00 4.12 H new ATOM 0 HD12 LEU B 127 -3.169 3.596 -10.952 1.00 4.12 H new ATOM 0 HD13 LEU B 127 -3.337 3.393 -9.192 1.00 4.12 H new ATOM 0 HD21 LEU B 127 -0.677 4.896 -8.500 1.00 60.40 H new ATOM 0 HD22 LEU B 127 -1.126 3.352 -7.737 1.00 60.40 H new ATOM 0 HD23 LEU B 127 0.429 3.505 -8.590 1.00 60.40 H new ATOM 1220 N THR B 128 0.181 0.782 -12.987 1.00 52.01 N ATOM 1221 CA THR B 128 1.078 0.988 -14.157 1.00 3.03 C ATOM 1222 C THR B 128 0.269 0.880 -15.468 1.00 54.00 C ATOM 1223 O THR B 128 0.503 1.653 -16.411 1.00 52.23 O ATOM 1224 CB THR B 128 2.282 -0.033 -14.180 1.00 65.21 C ATOM 1225 OG1 THR B 128 3.065 0.110 -12.983 1.00 54.14 O ATOM 1226 CG2 THR B 128 3.208 0.146 -15.409 1.00 52.32 C ATOM 0 H THR B 128 0.363 -0.086 -12.483 1.00 52.01 H new ATOM 0 HA THR B 128 1.503 1.987 -14.066 1.00 3.03 H new ATOM 0 HB THR B 128 1.843 -1.029 -14.242 1.00 65.21 H new ATOM 0 HG1 THR B 128 2.497 -0.045 -12.200 1.00 54.14 H new ATOM 0 HG21 THR B 128 4.015 -0.585 -15.366 1.00 52.32 H new ATOM 0 HG22 THR B 128 2.633 -0.002 -16.323 1.00 52.32 H new ATOM 0 HG23 THR B 128 3.629 1.152 -15.404 1.00 52.32 H new ATOM 1234 N ASP B 129 -0.687 -0.083 -15.508 1.00 33.14 N ATOM 1235 CA ASP B 129 -1.671 -0.189 -16.606 1.00 43.22 C ATOM 1236 C ASP B 129 -2.455 1.120 -16.715 1.00 33.33 C ATOM 1237 O ASP B 129 -2.519 1.715 -17.778 1.00 5.25 O ATOM 1238 CB ASP B 129 -2.673 -1.361 -16.387 1.00 0.24 C ATOM 1239 CG ASP B 129 -2.026 -2.745 -16.500 1.00 61.13 C ATOM 1240 OD1 ASP B 129 -1.967 -3.293 -17.624 1.00 43.11 O ATOM 1241 OD2 ASP B 129 -1.583 -3.297 -15.475 1.00 60.12 O ATOM 0 H ASP B 129 -0.794 -0.797 -14.788 1.00 33.14 H new ATOM 0 HA ASP B 129 -1.117 -0.387 -17.524 1.00 43.22 H new ATOM 0 HB2 ASP B 129 -3.128 -1.260 -15.402 1.00 0.24 H new ATOM 0 HB3 ASP B 129 -3.477 -1.283 -17.119 1.00 0.24 H new ATOM 1246 N LEU B 130 -2.989 1.579 -15.568 1.00 40.20 N ATOM 1247 CA LEU B 130 -3.895 2.741 -15.503 1.00 14.20 C ATOM 1248 C LEU B 130 -3.225 4.031 -15.974 1.00 41.04 C ATOM 1249 O LEU B 130 -3.878 4.835 -16.630 1.00 62.12 O ATOM 1250 CB LEU B 130 -4.448 2.921 -14.069 1.00 42.24 C ATOM 1251 CG LEU B 130 -5.218 1.696 -13.500 1.00 63.32 C ATOM 1252 CD1 LEU B 130 -5.745 1.970 -12.093 1.00 74.45 C ATOM 1253 CD2 LEU B 130 -6.335 1.227 -14.460 1.00 13.12 C ATOM 0 H LEU B 130 -2.804 1.154 -14.659 1.00 40.20 H new ATOM 0 HA LEU B 130 -4.720 2.536 -16.185 1.00 14.20 H new ATOM 0 HB2 LEU B 130 -3.617 3.150 -13.402 1.00 42.24 H new ATOM 0 HB3 LEU B 130 -5.112 3.785 -14.058 1.00 42.24 H new ATOM 0 HG LEU B 130 -4.508 0.873 -13.418 1.00 63.32 H new ATOM 0 HD11 LEU B 130 -6.278 1.092 -11.727 1.00 74.45 H new ATOM 0 HD12 LEU B 130 -4.910 2.191 -11.428 1.00 74.45 H new ATOM 0 HD13 LEU B 130 -6.424 2.822 -12.118 1.00 74.45 H new ATOM 0 HD21 LEU B 130 -6.850 0.369 -14.027 1.00 13.12 H new ATOM 0 HD22 LEU B 130 -7.047 2.038 -14.614 1.00 13.12 H new ATOM 0 HD23 LEU B 130 -5.897 0.942 -15.417 1.00 13.12 H new ATOM 1265 N LYS B 131 -1.922 4.209 -15.647 1.00 70.41 N ATOM 1266 CA LYS B 131 -1.172 5.416 -16.042 1.00 61.22 C ATOM 1267 C LYS B 131 -0.690 5.326 -17.508 1.00 31.35 C ATOM 1268 O LYS B 131 -0.445 6.356 -18.144 1.00 21.44 O ATOM 1269 CB LYS B 131 -0.016 5.738 -15.029 1.00 32.22 C ATOM 1270 CG LYS B 131 1.114 4.683 -14.826 1.00 52.53 C ATOM 1271 CD LYS B 131 2.128 4.586 -16.000 1.00 3.23 C ATOM 1272 CE LYS B 131 2.834 5.925 -16.317 1.00 53.34 C ATOM 1273 NZ LYS B 131 3.464 5.908 -17.651 1.00 41.42 N ATOM 0 H LYS B 131 -1.375 3.533 -15.113 1.00 70.41 H new ATOM 0 HA LYS B 131 -1.854 6.265 -15.997 1.00 61.22 H new ATOM 0 HB2 LYS B 131 0.453 6.669 -15.348 1.00 32.22 H new ATOM 0 HB3 LYS B 131 -0.471 5.927 -14.057 1.00 32.22 H new ATOM 0 HG2 LYS B 131 1.658 4.924 -13.913 1.00 52.53 H new ATOM 0 HG3 LYS B 131 0.657 3.705 -14.676 1.00 52.53 H new ATOM 0 HD2 LYS B 131 2.881 3.836 -15.758 1.00 3.23 H new ATOM 0 HD3 LYS B 131 1.607 4.239 -16.892 1.00 3.23 H new ATOM 0 HE2 LYS B 131 2.110 6.739 -16.267 1.00 53.34 H new ATOM 0 HE3 LYS B 131 3.592 6.125 -15.559 1.00 53.34 H new ATOM 0 HZ1 LYS B 131 4.299 6.528 -17.648 1.00 41.42 H new ATOM 0 HZ2 LYS B 131 3.754 4.937 -17.886 1.00 41.42 H new ATOM 0 HZ3 LYS B 131 2.784 6.247 -18.361 1.00 41.42 H new ATOM 1287 N LEU B 132 -0.530 4.082 -18.022 1.00 5.14 N ATOM 1288 CA LEU B 132 -0.218 3.823 -19.446 1.00 15.00 C ATOM 1289 C LEU B 132 -1.434 4.201 -20.303 1.00 2.04 C ATOM 1290 O LEU B 132 -1.332 5.003 -21.222 1.00 62.30 O ATOM 1291 CB LEU B 132 0.163 2.329 -19.656 1.00 42.03 C ATOM 1292 CG LEU B 132 0.395 1.857 -21.135 1.00 60.33 C ATOM 1293 CD1 LEU B 132 1.544 2.626 -21.810 1.00 32.02 C ATOM 1294 CD2 LEU B 132 0.636 0.332 -21.208 1.00 52.34 C ATOM 0 H LEU B 132 -0.614 3.234 -17.462 1.00 5.14 H new ATOM 0 HA LEU B 132 0.636 4.430 -19.748 1.00 15.00 H new ATOM 0 HB2 LEU B 132 1.072 2.128 -19.089 1.00 42.03 H new ATOM 0 HB3 LEU B 132 -0.626 1.714 -19.223 1.00 42.03 H new ATOM 0 HG LEU B 132 -0.518 2.082 -21.687 1.00 60.33 H new ATOM 0 HD11 LEU B 132 1.671 2.268 -22.832 1.00 32.02 H new ATOM 0 HD12 LEU B 132 1.310 3.691 -21.825 1.00 32.02 H new ATOM 0 HD13 LEU B 132 2.467 2.465 -21.252 1.00 32.02 H new ATOM 0 HD21 LEU B 132 0.793 0.038 -22.246 1.00 52.34 H new ATOM 0 HD22 LEU B 132 1.517 0.074 -20.620 1.00 52.34 H new ATOM 0 HD23 LEU B 132 -0.232 -0.193 -20.809 1.00 52.34 H new ATOM 1306 N GLN B 133 -2.591 3.623 -19.949 1.00 2.03 N ATOM 1307 CA GLN B 133 -3.881 3.918 -20.586 1.00 63.13 C ATOM 1308 C GLN B 133 -4.271 5.399 -20.399 1.00 71.24 C ATOM 1309 O GLN B 133 -4.961 5.966 -21.252 1.00 62.44 O ATOM 1310 CB GLN B 133 -4.986 2.963 -20.027 1.00 30.14 C ATOM 1311 CG GLN B 133 -4.856 1.474 -20.493 1.00 13.24 C ATOM 1312 CD GLN B 133 -4.776 0.420 -19.374 1.00 62.53 C ATOM 1313 OE1 GLN B 133 -4.146 -0.625 -19.540 1.00 72.23 O ATOM 1314 NE2 GLN B 133 -5.407 0.670 -18.237 1.00 2.35 N ATOM 0 H GLN B 133 -2.657 2.930 -19.204 1.00 2.03 H new ATOM 0 HA GLN B 133 -3.786 3.744 -21.658 1.00 63.13 H new ATOM 0 HB2 GLN B 133 -4.957 2.993 -18.938 1.00 30.14 H new ATOM 0 HB3 GLN B 133 -5.962 3.341 -20.330 1.00 30.14 H new ATOM 0 HG2 GLN B 133 -5.710 1.237 -21.127 1.00 13.24 H new ATOM 0 HG3 GLN B 133 -3.964 1.385 -21.113 1.00 13.24 H new ATOM 0 HE21 GLN B 133 -5.923 1.542 -18.121 1.00 2.35 H new ATOM 0 HE22 GLN B 133 -5.377 -0.010 -17.477 1.00 2.35 H new ATOM 1323 N LEU B 134 -3.811 6.005 -19.276 1.00 70.22 N ATOM 1324 CA LEU B 134 -4.058 7.426 -18.949 1.00 4.32 C ATOM 1325 C LEU B 134 -3.446 8.307 -20.036 1.00 61.40 C ATOM 1326 O LEU B 134 -4.152 9.083 -20.676 1.00 24.42 O ATOM 1327 CB LEU B 134 -3.463 7.797 -17.545 1.00 43.35 C ATOM 1328 CG LEU B 134 -4.321 8.712 -16.621 1.00 72.12 C ATOM 1329 CD1 LEU B 134 -4.574 10.113 -17.231 1.00 55.33 C ATOM 1330 CD2 LEU B 134 -5.637 7.999 -16.237 1.00 64.43 C ATOM 0 H LEU B 134 -3.257 5.518 -18.572 1.00 70.22 H new ATOM 0 HA LEU B 134 -5.134 7.594 -18.906 1.00 4.32 H new ATOM 0 HB2 LEU B 134 -3.263 6.870 -17.008 1.00 43.35 H new ATOM 0 HB3 LEU B 134 -2.502 8.286 -17.705 1.00 43.35 H new ATOM 0 HG LEU B 134 -3.749 8.890 -15.711 1.00 72.12 H new ATOM 0 HD11 LEU B 134 -5.177 10.706 -16.543 1.00 55.33 H new ATOM 0 HD12 LEU B 134 -3.621 10.613 -17.402 1.00 55.33 H new ATOM 0 HD13 LEU B 134 -5.103 10.007 -18.178 1.00 55.33 H new ATOM 0 HD21 LEU B 134 -6.228 8.649 -15.591 1.00 64.43 H new ATOM 0 HD22 LEU B 134 -6.204 7.771 -17.140 1.00 64.43 H new ATOM 0 HD23 LEU B 134 -5.409 7.073 -15.709 1.00 64.43 H new ATOM 1342 N GLU B 135 -2.126 8.131 -20.253 1.00 22.33 N ATOM 1343 CA GLU B 135 -1.366 8.928 -21.227 1.00 2.00 C ATOM 1344 C GLU B 135 -1.785 8.620 -22.683 1.00 71.24 C ATOM 1345 O GLU B 135 -1.546 9.434 -23.582 1.00 65.42 O ATOM 1346 CB GLU B 135 0.158 8.745 -21.022 1.00 64.25 C ATOM 1347 CG GLU B 135 0.685 7.303 -21.094 1.00 45.22 C ATOM 1348 CD GLU B 135 2.212 7.214 -20.979 1.00 50.41 C ATOM 1349 OE1 GLU B 135 2.886 6.956 -21.998 1.00 21.21 O ATOM 1350 OE2 GLU B 135 2.753 7.464 -19.872 1.00 33.35 O ATOM 0 H GLU B 135 -1.564 7.437 -19.760 1.00 22.33 H new ATOM 0 HA GLU B 135 -1.605 9.976 -21.048 1.00 2.00 H new ATOM 0 HB2 GLU B 135 0.678 9.338 -21.774 1.00 64.25 H new ATOM 0 HB3 GLU B 135 0.425 9.159 -20.050 1.00 64.25 H new ATOM 0 HG2 GLU B 135 0.232 6.717 -20.295 1.00 45.22 H new ATOM 0 HG3 GLU B 135 0.371 6.854 -22.036 1.00 45.22 H new ATOM 1357 N LYS B 136 -2.394 7.431 -22.908 1.00 2.54 N ATOM 1358 CA LYS B 136 -3.015 7.072 -24.204 1.00 5.35 C ATOM 1359 C LYS B 136 -4.331 7.854 -24.410 1.00 22.35 C ATOM 1360 O LYS B 136 -4.668 8.230 -25.537 1.00 13.43 O ATOM 1361 CB LYS B 136 -3.292 5.543 -24.270 1.00 13.03 C ATOM 1362 CG LYS B 136 -2.024 4.661 -24.215 1.00 43.22 C ATOM 1363 CD LYS B 136 -2.303 3.133 -24.134 1.00 62.11 C ATOM 1364 CE LYS B 136 -2.797 2.500 -25.454 1.00 33.42 C ATOM 1365 NZ LYS B 136 -4.158 2.945 -25.862 1.00 14.41 N ATOM 0 H LYS B 136 -2.468 6.699 -22.201 1.00 2.54 H new ATOM 0 HA LYS B 136 -2.320 7.339 -25.000 1.00 5.35 H new ATOM 0 HB2 LYS B 136 -3.947 5.269 -23.443 1.00 13.03 H new ATOM 0 HB3 LYS B 136 -3.833 5.324 -25.191 1.00 13.03 H new ATOM 0 HG2 LYS B 136 -1.420 4.861 -25.100 1.00 43.22 H new ATOM 0 HG3 LYS B 136 -1.430 4.955 -23.350 1.00 43.22 H new ATOM 0 HD2 LYS B 136 -1.390 2.626 -23.822 1.00 62.11 H new ATOM 0 HD3 LYS B 136 -3.048 2.953 -23.359 1.00 62.11 H new ATOM 0 HE2 LYS B 136 -2.092 2.743 -26.249 1.00 33.42 H new ATOM 0 HE3 LYS B 136 -2.796 1.415 -25.348 1.00 33.42 H new ATOM 0 HZ1 LYS B 136 -4.664 2.152 -26.306 1.00 14.41 H new ATOM 0 HZ2 LYS B 136 -4.684 3.266 -25.024 1.00 14.41 H new ATOM 0 HZ3 LYS B 136 -4.078 3.728 -26.542 1.00 14.41 H new ATOM 1379 N ALA B 137 -5.062 8.083 -23.303 1.00 35.11 N ATOM 1380 CA ALA B 137 -6.366 8.774 -23.318 1.00 64.41 C ATOM 1381 C ALA B 137 -6.208 10.292 -23.508 1.00 15.44 C ATOM 1382 O ALA B 137 -6.939 10.906 -24.292 1.00 11.43 O ATOM 1383 CB ALA B 137 -7.142 8.475 -22.015 1.00 31.44 C ATOM 0 H ALA B 137 -4.765 7.794 -22.371 1.00 35.11 H new ATOM 0 HA ALA B 137 -6.931 8.394 -24.169 1.00 64.41 H new ATOM 0 HB1 ALA B 137 -8.102 8.990 -22.037 1.00 31.44 H new ATOM 0 HB2 ALA B 137 -7.308 7.401 -21.929 1.00 31.44 H new ATOM 0 HB3 ALA B 137 -6.564 8.823 -21.159 1.00 31.44 H new ATOM 1389 N THR B 138 -5.220 10.875 -22.809 1.00 40.14 N ATOM 1390 CA THR B 138 -5.126 12.332 -22.595 1.00 70.35 C ATOM 1391 C THR B 138 -4.143 13.046 -23.548 1.00 51.45 C ATOM 1392 O THR B 138 -3.412 12.413 -24.314 1.00 44.14 O ATOM 1393 CB THR B 138 -4.717 12.623 -21.117 1.00 51.20 C ATOM 1394 OG1 THR B 138 -4.748 14.038 -20.874 1.00 53.42 O ATOM 1395 CG2 THR B 138 -3.315 12.087 -20.775 1.00 24.44 C ATOM 0 H THR B 138 -4.461 10.349 -22.375 1.00 40.14 H new ATOM 0 HA THR B 138 -6.116 12.733 -22.814 1.00 70.35 H new ATOM 0 HB THR B 138 -5.436 12.107 -20.481 1.00 51.20 H new ATOM 0 HG1 THR B 138 -4.488 14.216 -19.946 1.00 53.42 H new ATOM 0 HG21 THR B 138 -3.081 12.317 -19.735 1.00 24.44 H new ATOM 0 HG22 THR B 138 -3.292 11.007 -20.922 1.00 24.44 H new ATOM 0 HG23 THR B 138 -2.577 12.557 -21.425 1.00 24.44 H new ATOM 1403 N GLN B 139 -4.183 14.395 -23.483 1.00 42.01 N ATOM 1404 CA GLN B 139 -3.216 15.314 -24.125 1.00 61.32 C ATOM 1405 C GLN B 139 -2.024 15.604 -23.179 1.00 2.41 C ATOM 1406 O GLN B 139 -0.984 16.115 -23.613 1.00 11.22 O ATOM 1407 CB GLN B 139 -3.949 16.633 -24.560 1.00 72.31 C ATOM 1408 CG GLN B 139 -4.880 17.293 -23.497 1.00 15.54 C ATOM 1409 CD GLN B 139 -4.166 17.937 -22.302 1.00 22.44 C ATOM 1410 OE1 GLN B 139 -3.062 18.460 -22.432 1.00 13.22 O ATOM 1411 NE2 GLN B 139 -4.777 17.873 -21.127 1.00 21.20 N ATOM 0 H GLN B 139 -4.911 14.890 -22.967 1.00 42.01 H new ATOM 0 HA GLN B 139 -2.808 14.841 -25.018 1.00 61.32 H new ATOM 0 HB2 GLN B 139 -3.194 17.363 -24.853 1.00 72.31 H new ATOM 0 HB3 GLN B 139 -4.544 16.416 -25.447 1.00 72.31 H new ATOM 0 HG2 GLN B 139 -5.483 18.055 -23.991 1.00 15.54 H new ATOM 0 HG3 GLN B 139 -5.568 16.535 -23.122 1.00 15.54 H new ATOM 0 HE21 GLN B 139 -5.694 17.432 -21.052 1.00 21.20 H new ATOM 0 HE22 GLN B 139 -4.330 18.265 -20.298 1.00 21.20 H new ATOM 1420 N ARG B 140 -2.229 15.308 -21.872 1.00 24.34 N ATOM 1421 CA ARG B 140 -1.190 15.394 -20.810 1.00 1.20 C ATOM 1422 C ARG B 140 -0.069 14.360 -21.096 1.00 25.30 C ATOM 1423 O ARG B 140 -0.245 13.516 -21.988 1.00 54.12 O ATOM 1424 CB ARG B 140 -1.873 15.141 -19.425 1.00 24.05 C ATOM 1425 CG ARG B 140 -1.106 15.599 -18.163 1.00 52.31 C ATOM 1426 CD ARG B 140 -0.956 17.128 -18.065 1.00 4.02 C ATOM 1427 NE ARG B 140 -2.249 17.835 -17.932 1.00 11.31 N ATOM 1428 CZ ARG B 140 -2.388 19.177 -17.870 1.00 1.41 C ATOM 1429 NH1 ARG B 140 -1.328 19.976 -17.929 1.00 12.23 N ATOM 1430 NH2 ARG B 140 -3.583 19.718 -17.759 1.00 70.33 N ATOM 0 H ARG B 140 -3.134 14.998 -21.518 1.00 24.34 H new ATOM 0 HA ARG B 140 -0.730 16.382 -20.796 1.00 1.20 H new ATOM 0 HB2 ARG B 140 -2.842 15.640 -19.430 1.00 24.05 H new ATOM 0 HB3 ARG B 140 -2.065 14.072 -19.334 1.00 24.05 H new ATOM 0 HG2 ARG B 140 -1.626 15.234 -17.277 1.00 52.31 H new ATOM 0 HG3 ARG B 140 -0.116 15.143 -18.162 1.00 52.31 H new ATOM 0 HD2 ARG B 140 -0.327 17.370 -17.208 1.00 4.02 H new ATOM 0 HD3 ARG B 140 -0.440 17.493 -18.953 1.00 4.02 H new ATOM 0 HE ARG B 140 -3.096 17.268 -17.884 1.00 11.31 H new ATOM 0 HH11 ARG B 140 -0.394 19.578 -18.022 1.00 12.23 H new ATOM 0 HH12 ARG B 140 -1.449 20.988 -17.881 1.00 12.23 H new ATOM 0 HH21 ARG B 140 -4.411 19.123 -17.719 1.00 70.33 H new ATOM 0 HH22 ARG B 140 -3.681 20.732 -17.713 1.00 70.33 H new ATOM 1444 N GLN B 141 1.045 14.428 -20.313 1.00 74.32 N ATOM 1445 CA GLN B 141 2.327 13.706 -20.581 1.00 52.41 C ATOM 1446 C GLN B 141 2.147 12.271 -21.133 1.00 74.02 C ATOM 1447 O GLN B 141 1.247 11.546 -20.709 1.00 51.20 O ATOM 1448 CB GLN B 141 3.226 13.657 -19.295 1.00 44.55 C ATOM 1449 CG GLN B 141 2.970 12.487 -18.293 1.00 74.44 C ATOM 1450 CD GLN B 141 1.725 12.638 -17.409 1.00 1.54 C ATOM 1451 OE1 GLN B 141 1.800 13.165 -16.307 1.00 34.21 O ATOM 1452 NE2 GLN B 141 0.575 12.170 -17.875 1.00 72.23 N ATOM 0 H GLN B 141 1.080 14.994 -19.465 1.00 74.32 H new ATOM 0 HA GLN B 141 2.816 14.286 -21.364 1.00 52.41 H new ATOM 0 HB2 GLN B 141 4.268 13.609 -19.612 1.00 44.55 H new ATOM 0 HB3 GLN B 141 3.099 14.597 -18.757 1.00 44.55 H new ATOM 0 HG2 GLN B 141 2.883 11.559 -18.859 1.00 74.44 H new ATOM 0 HG3 GLN B 141 3.843 12.386 -17.648 1.00 74.44 H new ATOM 0 HE21 GLN B 141 0.538 11.735 -18.797 1.00 72.23 H new ATOM 0 HE22 GLN B 141 -0.272 12.245 -17.312 1.00 72.23 H new ATOM 1461 N GLU B 142 3.015 11.885 -22.078 1.00 2.34 N ATOM 1462 CA GLU B 142 3.062 10.526 -22.640 1.00 61.00 C ATOM 1463 C GLU B 142 4.522 10.048 -22.561 1.00 53.41 C ATOM 1464 O GLU B 142 5.356 10.319 -23.433 1.00 3.34 O ATOM 1465 CB GLU B 142 2.440 10.468 -24.075 1.00 71.11 C ATOM 1466 CG GLU B 142 3.052 11.403 -25.138 1.00 71.51 C ATOM 1467 CD GLU B 142 2.258 11.438 -26.463 1.00 44.44 C ATOM 1468 OE1 GLU B 142 2.163 10.387 -27.141 1.00 71.35 O ATOM 1469 OE2 GLU B 142 1.735 12.509 -26.840 1.00 64.32 O ATOM 0 H GLU B 142 3.712 12.513 -22.479 1.00 2.34 H new ATOM 0 HA GLU B 142 2.442 9.839 -22.063 1.00 61.00 H new ATOM 0 HB2 GLU B 142 2.519 9.443 -24.438 1.00 71.11 H new ATOM 0 HB3 GLU B 142 1.377 10.696 -23.994 1.00 71.11 H new ATOM 0 HG2 GLU B 142 3.109 12.413 -24.732 1.00 71.51 H new ATOM 0 HG3 GLU B 142 4.074 11.084 -25.345 1.00 71.51 H new ATOM 1476 N ARG B 143 4.825 9.383 -21.440 1.00 51.04 N ATOM 1477 CA ARG B 143 6.192 9.172 -20.955 1.00 51.03 C ATOM 1478 C ARG B 143 6.593 7.692 -20.999 1.00 23.21 C ATOM 1479 O ARG B 143 7.673 7.351 -21.492 1.00 21.44 O ATOM 1480 CB ARG B 143 6.271 9.705 -19.499 1.00 20.41 C ATOM 1481 CG ARG B 143 7.657 9.565 -18.841 1.00 4.02 C ATOM 1482 CD ARG B 143 7.685 10.048 -17.381 1.00 71.14 C ATOM 1483 NE ARG B 143 8.922 9.628 -16.703 1.00 52.34 N ATOM 1484 CZ ARG B 143 9.039 9.341 -15.399 1.00 74.11 C ATOM 1485 NH1 ARG B 143 7.993 9.441 -14.572 1.00 43.21 N ATOM 1486 NH2 ARG B 143 10.210 8.955 -14.919 1.00 25.41 N ATOM 0 H ARG B 143 4.115 8.970 -20.835 1.00 51.04 H new ATOM 0 HA ARG B 143 6.887 9.707 -21.603 1.00 51.03 H new ATOM 0 HB2 ARG B 143 5.986 10.757 -19.495 1.00 20.41 H new ATOM 0 HB3 ARG B 143 5.539 9.174 -18.891 1.00 20.41 H new ATOM 0 HG2 ARG B 143 7.966 8.520 -18.877 1.00 4.02 H new ATOM 0 HG3 ARG B 143 8.386 10.133 -19.419 1.00 4.02 H new ATOM 0 HD2 ARG B 143 7.603 11.135 -17.353 1.00 71.14 H new ATOM 0 HD3 ARG B 143 6.822 9.650 -16.847 1.00 71.14 H new ATOM 0 HE ARG B 143 9.763 9.548 -17.275 1.00 52.34 H new ATOM 0 HH11 ARG B 143 7.086 9.740 -14.931 1.00 43.21 H new ATOM 0 HH12 ARG B 143 8.102 9.218 -13.583 1.00 43.21 H new ATOM 0 HH21 ARG B 143 11.015 8.878 -15.540 1.00 25.41 H new ATOM 0 HH22 ARG B 143 10.307 8.735 -13.928 1.00 25.41 H new ATOM 1500 N PHE B 144 5.718 6.818 -20.480 1.00 75.43 N ATOM 1501 CA PHE B 144 6.043 5.398 -20.235 1.00 53.51 C ATOM 1502 C PHE B 144 4.830 4.512 -20.634 1.00 35.11 C ATOM 1503 O PHE B 144 4.793 4.039 -21.790 1.00 43.43 O ATOM 1504 CB PHE B 144 6.458 5.232 -18.735 1.00 52.53 C ATOM 1505 CG PHE B 144 6.964 3.842 -18.339 1.00 11.14 C ATOM 1506 CD1 PHE B 144 6.237 3.024 -17.466 1.00 50.13 C ATOM 1507 CD2 PHE B 144 8.173 3.363 -18.836 1.00 42.55 C ATOM 1508 CE1 PHE B 144 6.711 1.778 -17.108 1.00 41.04 C ATOM 1509 CE2 PHE B 144 8.644 2.116 -18.479 1.00 51.04 C ATOM 1510 CZ PHE B 144 7.914 1.325 -17.616 1.00 40.32 C ATOM 0 H PHE B 144 4.766 7.071 -20.217 1.00 75.43 H new ATOM 0 HA PHE B 144 6.884 5.072 -20.848 1.00 53.51 H new ATOM 0 HB2 PHE B 144 7.237 5.961 -18.509 1.00 52.53 H new ATOM 0 HB3 PHE B 144 5.600 5.479 -18.110 1.00 52.53 H new ATOM 0 HD1 PHE B 144 5.295 3.372 -17.068 1.00 50.13 H new ATOM 0 HD2 PHE B 144 8.751 3.977 -19.511 1.00 42.55 H new ATOM 0 HE1 PHE B 144 6.142 1.157 -16.431 1.00 41.04 H new ATOM 0 HE2 PHE B 144 9.583 1.760 -18.875 1.00 51.04 H new ATOM 0 HZ PHE B 144 8.283 0.349 -17.337 1.00 40.32 H new TER 1520 PHE B 144