USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 693 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 83 LYS NZ :NH3+ -173:sc= 1.04 (180deg=0.233) USER MOD Set 1.2: A 84 TYR OH : rot -15:sc= -0.262 USER MOD Set 2.1: A 29 SER OG : rot -71:sc= 2.07! USER MOD Set 2.2: A 30 HIS : no HE2:sc= 0.493 K(o=2.6,f=-8.3!) USER MOD Single : A 1 SER N :NH3+ -137:sc= 0.239 (180deg=0) USER MOD Single : A 1 SER OG : rot 40:sc= 0.677 USER MOD Single : A 2 GLN : amide:sc= 0.874 K(o=0.87,f=-0.27) USER MOD Single : A 7 LYS NZ :NH3+ -132:sc= 0.75 (180deg=-1.68!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= -0.48 K(o=-0.48,f=-6.6!) USER MOD Single : A 16 LYS NZ :NH3+ -126:sc= -0.566! (180deg=-5.92!) USER MOD Single : A 17 THR OG1 : rot 106:sc= 1.08 USER MOD Single : A 18 LYS NZ :NH3+ -113:sc= -0.0822 (180deg=-1.69!) USER MOD Single : A 24 MET CE :methyl -129:sc= -2.31 (180deg=-4.01!) USER MOD Single : A 28 TYR OH : rot -87:sc= 0.737 USER MOD Single : A 31 TYR OH : rot -19:sc= 0.764 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -4.36! C(o=-4.4!,f=-12!) USER MOD Single : A 35 THR OG1 : rot -96:sc= 1.35 USER MOD Single : A 40 ASN : amide:sc= -0.669 X(o=-0.67,f=-0.37) USER MOD Single : A 41 THR OG1 : rot -84:sc= -1.04! USER MOD Single : A 46 MET CE :methyl -121:sc= -0.188 (180deg=-1.13) USER MOD Single : A 50 LYS NZ :NH3+ -179:sc= 0.171 (180deg=0.0396) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 163:sc= -0.055 (180deg=-0.417) USER MOD Single : A 59 ASN :FLIP amide:sc= -3.81 F(o=-4.5!,f=-3.8) USER MOD Single : A 62 LYS NZ :NH3+ -160:sc= 0.958 (180deg=0.625) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.0891 USER MOD Single : A 66 LYS NZ :NH3+ 132:sc= 2.47 (180deg=0.525) USER MOD Single : A 70 MET CE :methyl 146:sc= -0.0202 (180deg=-0.575) USER MOD Single : A 71 LYS NZ :NH3+ 151:sc= -3.71! (180deg=-5.04!) USER MOD Single : A 73 TYR OH : rot 98:sc= -0.553! USER MOD Single : A 76 LYS NZ :NH3+ 159:sc= 0.203 (180deg=-1.03!) USER MOD Single : A 81 LYS NZ :NH3+ -163:sc= 0.163 (180deg=-0.794!) USER MOD Single : A 82 LYS NZ :NH3+ -162:sc= -0.102 (180deg=-0.906!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.917 1.636 -1.402 1.00 6.60 N ATOM 2 CA SER A 1 2.417 1.694 -1.273 1.00 5.61 C ATOM 3 C SER A 1 2.914 2.900 -2.113 1.00 4.69 C ATOM 4 O SER A 1 2.076 3.700 -2.467 1.00 5.39 O ATOM 5 CB SER A 1 3.103 0.364 -1.708 1.00 4.96 C ATOM 6 OG SER A 1 4.471 0.582 -1.362 1.00 4.67 O ATOM 0 H1 SER A 1 0.496 1.444 -0.471 1.00 6.60 H new ATOM 0 H2 SER A 1 0.564 2.546 -1.761 1.00 6.60 H new ATOM 0 H3 SER A 1 0.655 0.878 -2.064 1.00 6.60 H new ATOM 0 HA SER A 1 2.689 1.826 -0.226 1.00 5.61 H new ATOM 0 HB2 SER A 1 2.686 -0.496 -1.184 1.00 4.96 H new ATOM 0 HB3 SER A 1 2.981 0.177 -2.775 1.00 4.96 H new ATOM 0 HG SER A 1 4.520 1.050 -0.502 1.00 4.67 H new ATOM 14 N GLN A 2 4.194 2.958 -2.379 1.00 3.49 N ATOM 15 CA GLN A 2 4.957 4.004 -3.162 1.00 2.55 C ATOM 16 C GLN A 2 6.238 4.220 -2.312 1.00 1.94 C ATOM 17 O GLN A 2 6.376 3.618 -1.268 1.00 2.22 O ATOM 18 CB GLN A 2 4.189 5.379 -3.232 1.00 2.03 C ATOM 19 CG GLN A 2 4.800 6.352 -4.304 1.00 0.98 C ATOM 20 CD GLN A 2 4.172 7.733 -4.191 1.00 1.08 C ATOM 21 OE1 GLN A 2 3.037 7.919 -3.817 1.00 2.20 O ATOM 22 NE2 GLN A 2 4.877 8.754 -4.515 1.00 0.88 N ATOM 0 H GLN A 2 4.821 2.228 -2.041 1.00 3.49 H new ATOM 0 HA GLN A 2 5.124 3.682 -4.190 1.00 2.55 H new ATOM 0 HB2 GLN A 2 3.141 5.195 -3.468 1.00 2.03 H new ATOM 0 HB3 GLN A 2 4.216 5.858 -2.253 1.00 2.03 H new ATOM 0 HG2 GLN A 2 5.879 6.424 -4.165 1.00 0.98 H new ATOM 0 HG3 GLN A 2 4.634 5.951 -5.304 1.00 0.98 H new ATOM 0 HE21 GLN A 2 5.838 8.630 -4.834 1.00 0.88 H new ATOM 0 HE22 GLN A 2 4.477 9.690 -4.453 1.00 0.88 H new ATOM 31 N ALA A 3 7.144 5.044 -2.753 1.00 1.26 N ATOM 32 CA ALA A 3 8.380 5.290 -1.967 1.00 0.81 C ATOM 33 C ALA A 3 8.010 6.273 -0.834 1.00 0.57 C ATOM 34 O ALA A 3 6.859 6.400 -0.457 1.00 0.64 O ATOM 35 CB ALA A 3 9.409 5.880 -2.941 1.00 0.55 C ATOM 0 H ALA A 3 7.080 5.561 -3.630 1.00 1.26 H new ATOM 0 HA ALA A 3 8.801 4.392 -1.515 1.00 0.81 H new ATOM 0 HB1 ALA A 3 10.340 6.080 -2.410 1.00 0.55 H new ATOM 0 HB2 ALA A 3 9.596 5.170 -3.747 1.00 0.55 H new ATOM 0 HB3 ALA A 3 9.023 6.810 -3.359 1.00 0.55 H new ATOM 41 N GLU A 4 8.970 6.977 -0.311 1.00 0.35 N ATOM 42 CA GLU A 4 8.673 7.924 0.785 1.00 0.36 C ATOM 43 C GLU A 4 8.525 9.287 0.186 1.00 0.23 C ATOM 44 O GLU A 4 8.160 10.195 0.860 1.00 0.26 O ATOM 45 CB GLU A 4 9.870 7.960 1.797 1.00 0.77 C ATOM 46 CG GLU A 4 10.985 6.926 1.443 1.00 0.75 C ATOM 47 CD GLU A 4 10.458 5.507 1.432 1.00 1.63 C ATOM 48 OE1 GLU A 4 10.027 5.153 2.512 1.00 1.98 O ATOM 49 OE2 GLU A 4 10.524 4.923 0.364 1.00 2.65 O ATOM 0 H GLU A 4 9.948 6.935 -0.598 1.00 0.35 H new ATOM 0 HA GLU A 4 7.766 7.616 1.305 1.00 0.36 H new ATOM 0 HB2 GLU A 4 10.299 8.962 1.811 1.00 0.77 H new ATOM 0 HB3 GLU A 4 9.498 7.759 2.802 1.00 0.77 H new ATOM 0 HG2 GLU A 4 11.404 7.165 0.466 1.00 0.75 H new ATOM 0 HG3 GLU A 4 11.797 7.006 2.166 1.00 0.75 H new ATOM 56 N PHE A 5 8.812 9.464 -1.053 1.00 0.32 N ATOM 57 CA PHE A 5 8.672 10.813 -1.660 1.00 0.27 C ATOM 58 C PHE A 5 7.501 11.689 -1.104 1.00 0.22 C ATOM 59 O PHE A 5 7.708 12.792 -0.648 1.00 0.28 O ATOM 60 CB PHE A 5 8.461 10.508 -3.062 1.00 0.25 C ATOM 61 CG PHE A 5 8.162 11.827 -3.714 1.00 0.19 C ATOM 62 CD1 PHE A 5 9.164 12.716 -3.916 1.00 0.78 C ATOM 63 CD2 PHE A 5 6.890 12.141 -4.070 1.00 1.02 C ATOM 64 CE1 PHE A 5 8.925 13.930 -4.474 1.00 0.81 C ATOM 65 CE2 PHE A 5 6.612 13.343 -4.625 1.00 1.01 C ATOM 66 CZ PHE A 5 7.627 14.248 -4.838 1.00 0.14 C ATOM 0 H PHE A 5 9.141 8.734 -1.685 1.00 0.32 H new ATOM 0 HA PHE A 5 9.547 11.424 -1.438 1.00 0.27 H new ATOM 0 HB2 PHE A 5 9.344 10.044 -3.501 1.00 0.25 H new ATOM 0 HB3 PHE A 5 7.635 9.809 -3.192 1.00 0.25 H new ATOM 0 HD1 PHE A 5 10.171 12.454 -3.628 1.00 0.78 H new ATOM 0 HD2 PHE A 5 6.096 11.427 -3.909 1.00 1.02 H new ATOM 0 HE1 PHE A 5 9.730 14.633 -4.631 1.00 0.81 H new ATOM 0 HE2 PHE A 5 5.598 13.592 -4.900 1.00 1.01 H new ATOM 0 HZ PHE A 5 7.411 15.205 -5.289 1.00 0.14 H new ATOM 76 N ASP A 6 6.307 11.172 -1.152 1.00 0.18 N ATOM 77 CA ASP A 6 5.163 11.959 -0.633 1.00 0.18 C ATOM 78 C ASP A 6 5.248 12.089 0.898 1.00 0.18 C ATOM 79 O ASP A 6 4.767 13.014 1.516 1.00 0.20 O ATOM 80 CB ASP A 6 3.938 11.384 -1.241 1.00 0.19 C ATOM 81 CG ASP A 6 3.757 12.000 -2.626 1.00 0.16 C ATOM 82 OD1 ASP A 6 3.570 13.207 -2.685 1.00 1.19 O ATOM 83 OD2 ASP A 6 3.837 11.211 -3.545 1.00 1.49 O ATOM 0 H ASP A 6 6.078 10.250 -1.524 1.00 0.18 H new ATOM 0 HA ASP A 6 5.161 13.008 -0.929 1.00 0.18 H new ATOM 0 HB2 ASP A 6 4.024 10.300 -1.316 1.00 0.19 H new ATOM 0 HB3 ASP A 6 3.070 11.593 -0.616 1.00 0.19 H new ATOM 88 N LYS A 7 5.905 11.114 1.453 1.00 0.21 N ATOM 89 CA LYS A 7 6.095 11.087 2.926 1.00 0.26 C ATOM 90 C LYS A 7 7.024 12.270 3.223 1.00 0.15 C ATOM 91 O LYS A 7 6.821 13.068 4.109 1.00 0.16 O ATOM 92 CB LYS A 7 6.847 9.787 3.307 1.00 0.46 C ATOM 93 CG LYS A 7 6.996 9.640 4.836 1.00 0.84 C ATOM 94 CD LYS A 7 8.186 8.658 5.142 1.00 2.22 C ATOM 95 CE LYS A 7 7.909 7.184 4.757 1.00 3.45 C ATOM 96 NZ LYS A 7 9.214 6.439 4.859 1.00 5.01 N ATOM 0 H LYS A 7 6.320 10.331 0.948 1.00 0.21 H new ATOM 0 HA LYS A 7 5.150 11.135 3.467 1.00 0.26 H new ATOM 0 HB2 LYS A 7 6.310 8.926 2.909 1.00 0.46 H new ATOM 0 HB3 LYS A 7 7.834 9.788 2.844 1.00 0.46 H new ATOM 0 HG2 LYS A 7 7.184 10.612 5.291 1.00 0.84 H new ATOM 0 HG3 LYS A 7 6.072 9.258 5.269 1.00 0.84 H new ATOM 0 HD2 LYS A 7 9.072 9.001 4.607 1.00 2.22 H new ATOM 0 HD3 LYS A 7 8.417 8.706 6.206 1.00 2.22 H new ATOM 0 HE2 LYS A 7 7.165 6.747 5.422 1.00 3.45 H new ATOM 0 HE3 LYS A 7 7.509 7.120 3.745 1.00 3.45 H new ATOM 0 HZ1 LYS A 7 9.357 5.870 4.000 1.00 5.01 H new ATOM 0 HZ2 LYS A 7 9.995 7.119 4.958 1.00 5.01 H new ATOM 0 HZ3 LYS A 7 9.193 5.813 5.689 1.00 5.01 H new ATOM 110 N ALA A 8 8.041 12.320 2.416 1.00 0.10 N ATOM 111 CA ALA A 8 9.073 13.377 2.515 1.00 0.12 C ATOM 112 C ALA A 8 8.288 14.670 2.404 1.00 0.15 C ATOM 113 O ALA A 8 8.280 15.488 3.294 1.00 0.20 O ATOM 114 CB ALA A 8 10.060 13.133 1.368 1.00 0.19 C ATOM 0 H ALA A 8 8.203 11.647 1.667 1.00 0.10 H new ATOM 0 HA ALA A 8 9.662 13.398 3.432 1.00 0.12 H new ATOM 0 HB1 ALA A 8 10.845 13.889 1.396 1.00 0.19 H new ATOM 0 HB2 ALA A 8 10.505 12.144 1.475 1.00 0.19 H new ATOM 0 HB3 ALA A 8 9.533 13.192 0.416 1.00 0.19 H new ATOM 120 N ALA A 9 7.640 14.790 1.293 1.00 0.19 N ATOM 121 CA ALA A 9 6.797 15.985 0.992 1.00 0.25 C ATOM 122 C ALA A 9 5.944 16.386 2.195 1.00 0.24 C ATOM 123 O ALA A 9 5.870 17.534 2.586 1.00 0.39 O ATOM 124 CB ALA A 9 5.850 15.582 -0.145 1.00 0.29 C ATOM 0 H ALA A 9 7.654 14.091 0.551 1.00 0.19 H new ATOM 0 HA ALA A 9 7.439 16.827 0.732 1.00 0.25 H new ATOM 0 HB1 ALA A 9 5.210 16.426 -0.402 1.00 0.29 H new ATOM 0 HB2 ALA A 9 6.433 15.290 -1.018 1.00 0.29 H new ATOM 0 HB3 ALA A 9 5.232 14.743 0.176 1.00 0.29 H new ATOM 130 N GLU A 10 5.330 15.379 2.746 1.00 0.19 N ATOM 131 CA GLU A 10 4.439 15.521 3.918 1.00 0.22 C ATOM 132 C GLU A 10 5.243 16.052 5.126 1.00 0.23 C ATOM 133 O GLU A 10 4.914 17.101 5.646 1.00 0.34 O ATOM 134 CB GLU A 10 3.799 14.095 4.052 1.00 0.29 C ATOM 135 CG GLU A 10 2.775 13.972 5.200 1.00 0.61 C ATOM 136 CD GLU A 10 3.473 14.165 6.541 1.00 2.14 C ATOM 137 OE1 GLU A 10 4.206 13.250 6.889 1.00 2.74 O ATOM 138 OE2 GLU A 10 3.210 15.227 7.083 1.00 3.14 O ATOM 0 H GLU A 10 5.418 14.420 2.411 1.00 0.19 H new ATOM 0 HA GLU A 10 3.641 16.259 3.835 1.00 0.22 H new ATOM 0 HB2 GLU A 10 3.309 13.838 3.113 1.00 0.29 H new ATOM 0 HB3 GLU A 10 4.593 13.365 4.207 1.00 0.29 H new ATOM 0 HG2 GLU A 10 1.989 14.717 5.079 1.00 0.61 H new ATOM 0 HG3 GLU A 10 2.295 12.994 5.168 1.00 0.61 H new ATOM 145 N GLU A 11 6.276 15.340 5.491 1.00 0.27 N ATOM 146 CA GLU A 11 7.159 15.669 6.621 1.00 0.28 C ATOM 147 C GLU A 11 7.712 17.075 6.472 1.00 0.16 C ATOM 148 O GLU A 11 7.533 17.972 7.276 1.00 0.17 O ATOM 149 CB GLU A 11 8.267 14.616 6.626 1.00 0.32 C ATOM 150 CG GLU A 11 7.801 13.169 7.057 1.00 0.60 C ATOM 151 CD GLU A 11 8.962 12.156 7.109 1.00 0.95 C ATOM 152 OE1 GLU A 11 9.755 12.089 6.180 1.00 1.78 O ATOM 153 OE2 GLU A 11 9.072 11.422 8.079 1.00 0.96 O ATOM 0 H GLU A 11 6.550 14.485 5.007 1.00 0.27 H new ATOM 0 HA GLU A 11 6.622 15.654 7.569 1.00 0.28 H new ATOM 0 HB2 GLU A 11 8.701 14.561 5.628 1.00 0.32 H new ATOM 0 HB3 GLU A 11 9.058 14.944 7.300 1.00 0.32 H new ATOM 0 HG2 GLU A 11 7.328 13.222 8.037 1.00 0.60 H new ATOM 0 HG3 GLU A 11 7.045 12.812 6.357 1.00 0.60 H new ATOM 160 N VAL A 12 8.383 17.199 5.374 1.00 0.18 N ATOM 161 CA VAL A 12 9.021 18.454 5.009 1.00 0.24 C ATOM 162 C VAL A 12 8.024 19.621 5.093 1.00 0.35 C ATOM 163 O VAL A 12 8.282 20.597 5.762 1.00 0.39 O ATOM 164 CB VAL A 12 9.719 18.219 3.672 1.00 0.22 C ATOM 165 CG1 VAL A 12 8.952 18.683 2.479 1.00 0.39 C ATOM 166 CG2 VAL A 12 11.149 18.723 3.720 1.00 0.14 C ATOM 0 H VAL A 12 8.513 16.447 4.697 1.00 0.18 H new ATOM 0 HA VAL A 12 9.794 18.770 5.709 1.00 0.24 H new ATOM 0 HB VAL A 12 9.758 17.140 3.526 1.00 0.22 H new ATOM 0 HG11 VAL A 12 9.525 18.475 1.575 1.00 0.39 H new ATOM 0 HG12 VAL A 12 7.998 18.158 2.433 1.00 0.39 H new ATOM 0 HG13 VAL A 12 8.772 19.755 2.556 1.00 0.39 H new ATOM 0 HG21 VAL A 12 11.630 18.546 2.758 1.00 0.14 H new ATOM 0 HG22 VAL A 12 11.151 19.791 3.936 1.00 0.14 H new ATOM 0 HG23 VAL A 12 11.695 18.194 4.501 1.00 0.14 H new ATOM 176 N LYS A 13 6.907 19.517 4.420 1.00 0.40 N ATOM 177 CA LYS A 13 5.900 20.628 4.483 1.00 0.41 C ATOM 178 C LYS A 13 5.530 21.118 5.909 1.00 0.33 C ATOM 179 O LYS A 13 4.972 22.186 6.058 1.00 0.34 O ATOM 180 CB LYS A 13 4.638 20.232 3.710 1.00 0.40 C ATOM 181 CG LYS A 13 4.872 20.450 2.194 1.00 0.73 C ATOM 182 CD LYS A 13 3.493 20.547 1.506 1.00 1.03 C ATOM 183 CE LYS A 13 2.786 19.206 1.600 1.00 1.24 C ATOM 184 NZ LYS A 13 1.420 19.369 1.015 1.00 2.36 N ATOM 0 H LYS A 13 6.647 18.723 3.835 1.00 0.40 H new ATOM 0 HA LYS A 13 6.390 21.483 4.017 1.00 0.41 H new ATOM 0 HB2 LYS A 13 4.392 19.188 3.905 1.00 0.40 H new ATOM 0 HB3 LYS A 13 3.790 20.828 4.047 1.00 0.40 H new ATOM 0 HG2 LYS A 13 5.447 21.360 2.024 1.00 0.73 H new ATOM 0 HG3 LYS A 13 5.449 19.626 1.775 1.00 0.73 H new ATOM 0 HD2 LYS A 13 2.891 21.322 1.981 1.00 1.03 H new ATOM 0 HD3 LYS A 13 3.615 20.834 0.461 1.00 1.03 H new ATOM 0 HE2 LYS A 13 3.344 18.441 1.060 1.00 1.24 H new ATOM 0 HE3 LYS A 13 2.721 18.880 2.638 1.00 1.24 H new ATOM 0 HZ1 LYS A 13 0.910 18.464 1.066 1.00 2.36 H new ATOM 0 HZ2 LYS A 13 0.897 20.091 1.550 1.00 2.36 H new ATOM 0 HZ3 LYS A 13 1.501 19.666 0.021 1.00 2.36 H new ATOM 198 N HIS A 14 5.851 20.312 6.888 1.00 0.34 N ATOM 199 CA HIS A 14 5.576 20.616 8.334 1.00 0.28 C ATOM 200 C HIS A 14 6.741 20.982 9.216 1.00 0.29 C ATOM 201 O HIS A 14 6.572 21.853 10.045 1.00 0.40 O ATOM 202 CB HIS A 14 4.813 19.433 8.993 1.00 0.47 C ATOM 203 CG HIS A 14 5.579 18.670 10.072 1.00 1.44 C ATOM 204 ND1 HIS A 14 6.539 17.858 9.807 1.00 2.46 N ATOM 205 CD2 HIS A 14 5.468 18.640 11.446 1.00 2.48 C ATOM 206 CE1 HIS A 14 7.002 17.352 10.905 1.00 3.99 C ATOM 207 NE2 HIS A 14 6.364 17.814 11.952 1.00 4.06 N ATOM 0 H HIS A 14 6.313 19.415 6.741 1.00 0.34 H new ATOM 0 HA HIS A 14 4.985 21.530 8.274 1.00 0.28 H new ATOM 0 HB2 HIS A 14 3.892 19.818 9.431 1.00 0.47 H new ATOM 0 HB3 HIS A 14 4.525 18.730 8.211 1.00 0.47 H new ATOM 0 HD1 HIS A 14 6.885 17.644 8.871 1.00 2.46 H new ATOM 0 HD2 HIS A 14 4.753 19.208 12.023 1.00 2.48 H new ATOM 0 HE1 HIS A 14 7.812 16.639 10.952 1.00 3.99 H new ATOM 215 N LEU A 15 7.856 20.330 9.034 1.00 0.27 N ATOM 216 CA LEU A 15 9.060 20.596 9.846 1.00 0.27 C ATOM 217 C LEU A 15 9.082 21.844 10.617 1.00 0.37 C ATOM 218 O LEU A 15 9.490 22.869 10.139 1.00 0.79 O ATOM 219 CB LEU A 15 10.222 20.641 8.973 1.00 0.38 C ATOM 220 CG LEU A 15 10.215 19.408 8.168 1.00 0.45 C ATOM 221 CD1 LEU A 15 11.505 19.428 7.573 1.00 0.68 C ATOM 222 CD2 LEU A 15 10.039 18.170 9.013 1.00 0.84 C ATOM 0 H LEU A 15 7.978 19.601 8.331 1.00 0.27 H new ATOM 0 HA LEU A 15 9.062 19.782 10.571 1.00 0.27 H new ATOM 0 HB2 LEU A 15 10.185 21.520 8.329 1.00 0.38 H new ATOM 0 HB3 LEU A 15 11.139 20.713 9.558 1.00 0.38 H new ATOM 0 HG LEU A 15 9.391 19.376 7.456 1.00 0.45 H new ATOM 0 HD11 LEU A 15 11.627 18.549 6.940 1.00 0.68 H new ATOM 0 HD12 LEU A 15 11.613 20.329 6.969 1.00 0.68 H new ATOM 0 HD13 LEU A 15 12.266 19.421 8.354 1.00 0.68 H new ATOM 0 HD21 LEU A 15 10.041 17.289 8.372 1.00 0.84 H new ATOM 0 HD22 LEU A 15 10.857 18.099 9.729 1.00 0.84 H new ATOM 0 HD23 LEU A 15 9.092 18.227 9.549 1.00 0.84 H new ATOM 234 N LYS A 16 8.607 21.653 11.786 1.00 0.79 N ATOM 235 CA LYS A 16 8.503 22.759 12.822 1.00 1.04 C ATOM 236 C LYS A 16 9.323 24.068 12.584 1.00 0.82 C ATOM 237 O LYS A 16 8.897 25.157 12.917 1.00 1.00 O ATOM 238 CB LYS A 16 8.815 22.201 14.253 1.00 1.43 C ATOM 239 CG LYS A 16 10.248 21.591 14.383 1.00 0.97 C ATOM 240 CD LYS A 16 10.948 22.173 15.647 1.00 1.07 C ATOM 241 CE LYS A 16 12.203 21.372 16.031 1.00 1.64 C ATOM 242 NZ LYS A 16 11.769 20.101 16.684 1.00 1.42 N ATOM 0 H LYS A 16 8.263 20.749 12.111 1.00 0.79 H new ATOM 0 HA LYS A 16 7.467 23.081 12.719 1.00 1.04 H new ATOM 0 HB2 LYS A 16 8.703 23.005 14.981 1.00 1.43 H new ATOM 0 HB3 LYS A 16 8.079 21.438 14.506 1.00 1.43 H new ATOM 0 HG2 LYS A 16 10.187 20.505 14.455 1.00 0.97 H new ATOM 0 HG3 LYS A 16 10.834 21.819 13.493 1.00 0.97 H new ATOM 0 HD2 LYS A 16 11.223 23.212 15.463 1.00 1.07 H new ATOM 0 HD3 LYS A 16 10.248 22.172 16.482 1.00 1.07 H new ATOM 0 HE2 LYS A 16 12.802 21.158 15.146 1.00 1.64 H new ATOM 0 HE3 LYS A 16 12.830 21.951 16.708 1.00 1.64 H new ATOM 0 HZ1 LYS A 16 12.232 20.011 17.611 1.00 1.42 H new ATOM 0 HZ2 LYS A 16 10.737 20.111 16.812 1.00 1.42 H new ATOM 0 HZ3 LYS A 16 12.035 19.294 16.084 1.00 1.42 H new ATOM 256 N THR A 17 10.477 23.920 11.998 1.00 0.50 N ATOM 257 CA THR A 17 11.385 25.104 11.712 1.00 0.26 C ATOM 258 C THR A 17 11.169 25.694 10.296 1.00 0.40 C ATOM 259 O THR A 17 10.405 25.190 9.505 1.00 0.77 O ATOM 260 CB THR A 17 12.829 24.580 11.771 1.00 0.29 C ATOM 261 OG1 THR A 17 12.952 23.995 13.057 1.00 0.46 O ATOM 262 CG2 THR A 17 13.932 25.660 11.807 1.00 0.29 C ATOM 0 H THR A 17 10.850 23.021 11.694 1.00 0.50 H new ATOM 0 HA THR A 17 11.171 25.887 12.440 1.00 0.26 H new ATOM 0 HB THR A 17 12.966 23.958 10.887 1.00 0.29 H new ATOM 0 HG1 THR A 17 12.951 23.019 12.974 1.00 0.46 H new ATOM 0 HG21 THR A 17 14.910 25.180 11.848 1.00 0.29 H new ATOM 0 HG22 THR A 17 13.867 26.276 10.910 1.00 0.29 H new ATOM 0 HG23 THR A 17 13.799 26.287 12.689 1.00 0.29 H new ATOM 270 N LYS A 18 11.829 26.771 9.980 1.00 0.45 N ATOM 271 CA LYS A 18 11.671 27.392 8.618 1.00 0.72 C ATOM 272 C LYS A 18 12.866 27.067 7.654 1.00 0.60 C ATOM 273 O LYS A 18 13.767 27.883 7.581 1.00 0.65 O ATOM 274 CB LYS A 18 11.450 28.921 8.801 1.00 0.96 C ATOM 275 CG LYS A 18 11.088 29.503 7.403 1.00 1.60 C ATOM 276 CD LYS A 18 10.943 31.057 7.370 1.00 2.41 C ATOM 277 CE LYS A 18 9.641 31.583 7.998 1.00 2.37 C ATOM 278 NZ LYS A 18 9.753 31.584 9.492 1.00 2.91 N ATOM 0 H LYS A 18 12.475 27.256 10.602 1.00 0.45 H new ATOM 0 HA LYS A 18 10.801 26.956 8.128 1.00 0.72 H new ATOM 0 HB2 LYS A 18 10.650 29.111 9.516 1.00 0.96 H new ATOM 0 HB3 LYS A 18 12.349 29.396 9.195 1.00 0.96 H new ATOM 0 HG2 LYS A 18 11.857 29.207 6.689 1.00 1.60 H new ATOM 0 HG3 LYS A 18 10.152 29.056 7.068 1.00 1.60 H new ATOM 0 HD2 LYS A 18 11.790 31.501 7.893 1.00 2.41 H new ATOM 0 HD3 LYS A 18 10.995 31.394 6.335 1.00 2.41 H new ATOM 0 HE2 LYS A 18 9.438 32.592 7.640 1.00 2.37 H new ATOM 0 HE3 LYS A 18 8.802 30.960 7.689 1.00 2.37 H new ATOM 0 HZ1 LYS A 18 9.096 30.883 9.890 1.00 2.91 H new ATOM 0 HZ2 LYS A 18 10.726 31.342 9.767 1.00 2.91 H new ATOM 0 HZ3 LYS A 18 9.515 32.528 9.857 1.00 2.91 H new ATOM 292 N PRO A 19 12.888 25.935 6.965 1.00 0.50 N ATOM 293 CA PRO A 19 14.009 25.606 6.037 1.00 0.42 C ATOM 294 C PRO A 19 14.495 26.831 5.217 1.00 0.46 C ATOM 295 O PRO A 19 13.692 27.618 4.744 1.00 0.45 O ATOM 296 CB PRO A 19 13.475 24.489 5.190 1.00 0.36 C ATOM 297 CG PRO A 19 12.499 23.741 6.147 1.00 0.38 C ATOM 298 CD PRO A 19 11.858 24.855 6.996 1.00 0.48 C ATOM 0 HA PRO A 19 14.910 25.305 6.571 1.00 0.42 H new ATOM 0 HB2 PRO A 19 12.960 24.866 4.306 1.00 0.36 H new ATOM 0 HB3 PRO A 19 14.273 23.835 4.839 1.00 0.36 H new ATOM 0 HG2 PRO A 19 11.746 23.184 5.589 1.00 0.38 H new ATOM 0 HG3 PRO A 19 13.029 23.022 6.771 1.00 0.38 H new ATOM 0 HD2 PRO A 19 10.910 25.189 6.574 1.00 0.48 H new ATOM 0 HD3 PRO A 19 11.654 24.521 8.013 1.00 0.48 H new ATOM 306 N ALA A 20 15.784 26.973 5.053 1.00 0.50 N ATOM 307 CA ALA A 20 16.280 28.160 4.264 1.00 0.50 C ATOM 308 C ALA A 20 15.891 28.029 2.788 1.00 0.57 C ATOM 309 O ALA A 20 15.619 26.932 2.328 1.00 0.55 O ATOM 310 CB ALA A 20 17.819 28.221 4.329 1.00 0.58 C ATOM 0 H ALA A 20 16.502 26.345 5.415 1.00 0.50 H new ATOM 0 HA ALA A 20 15.832 29.056 4.693 1.00 0.50 H new ATOM 0 HB1 ALA A 20 18.174 29.079 3.758 1.00 0.58 H new ATOM 0 HB2 ALA A 20 18.136 28.320 5.367 1.00 0.58 H new ATOM 0 HB3 ALA A 20 18.237 27.307 3.908 1.00 0.58 H new ATOM 316 N ASP A 21 15.846 29.127 2.060 1.00 0.61 N ATOM 317 CA ASP A 21 15.482 29.047 0.612 1.00 0.67 C ATOM 318 C ASP A 21 15.972 27.770 -0.052 1.00 0.44 C ATOM 319 O ASP A 21 15.148 26.988 -0.458 1.00 0.31 O ATOM 320 CB ASP A 21 15.945 30.311 -0.160 1.00 0.93 C ATOM 321 CG ASP A 21 15.156 31.529 0.263 1.00 1.07 C ATOM 322 OD1 ASP A 21 14.904 31.629 1.451 1.00 1.72 O ATOM 323 OD2 ASP A 21 14.822 32.352 -0.576 1.00 1.63 O ATOM 0 H ASP A 21 16.045 30.065 2.407 1.00 0.61 H new ATOM 0 HA ASP A 21 14.393 29.012 0.569 1.00 0.67 H new ATOM 0 HB2 ASP A 21 17.006 30.482 0.020 1.00 0.93 H new ATOM 0 HB3 ASP A 21 15.825 30.150 -1.231 1.00 0.93 H new ATOM 328 N GLU A 22 17.258 27.563 -0.134 1.00 0.51 N ATOM 329 CA GLU A 22 17.764 26.306 -0.797 1.00 0.51 C ATOM 330 C GLU A 22 17.143 24.993 -0.225 1.00 0.41 C ATOM 331 O GLU A 22 16.763 24.104 -0.961 1.00 0.54 O ATOM 332 CB GLU A 22 19.299 26.248 -0.761 1.00 0.76 C ATOM 333 CG GLU A 22 19.800 27.190 -1.888 1.00 1.06 C ATOM 334 CD GLU A 22 19.474 26.707 -3.316 1.00 2.61 C ATOM 335 OE1 GLU A 22 19.276 25.511 -3.501 1.00 3.80 O ATOM 336 OE2 GLU A 22 19.458 27.621 -4.126 1.00 2.99 O ATOM 0 H GLU A 22 17.978 28.193 0.220 1.00 0.51 H new ATOM 0 HA GLU A 22 17.432 26.363 -1.834 1.00 0.51 H new ATOM 0 HB2 GLU A 22 19.677 26.569 0.210 1.00 0.76 H new ATOM 0 HB3 GLU A 22 19.653 25.229 -0.920 1.00 0.76 H new ATOM 0 HG2 GLU A 22 19.360 28.177 -1.742 1.00 1.06 H new ATOM 0 HG3 GLU A 22 20.880 27.306 -1.795 1.00 1.06 H new ATOM 343 N GLU A 23 17.040 24.902 1.068 1.00 0.30 N ATOM 344 CA GLU A 23 16.470 23.702 1.747 1.00 0.53 C ATOM 345 C GLU A 23 15.096 23.413 1.095 1.00 0.44 C ATOM 346 O GLU A 23 14.798 22.322 0.631 1.00 0.62 O ATOM 347 CB GLU A 23 16.403 24.142 3.218 1.00 0.71 C ATOM 348 CG GLU A 23 17.848 24.595 3.703 1.00 1.14 C ATOM 349 CD GLU A 23 18.759 23.434 4.106 1.00 0.36 C ATOM 350 OE1 GLU A 23 18.798 22.482 3.358 1.00 1.90 O ATOM 351 OE2 GLU A 23 19.372 23.569 5.152 1.00 0.72 O ATOM 0 H GLU A 23 17.338 25.637 1.709 1.00 0.30 H new ATOM 0 HA GLU A 23 17.034 22.773 1.664 1.00 0.53 H new ATOM 0 HB2 GLU A 23 15.696 24.964 3.331 1.00 0.71 H new ATOM 0 HB3 GLU A 23 16.040 23.322 3.838 1.00 0.71 H new ATOM 0 HG2 GLU A 23 18.328 25.160 2.904 1.00 1.14 H new ATOM 0 HG3 GLU A 23 17.740 25.271 4.551 1.00 1.14 H new ATOM 358 N MET A 24 14.321 24.462 1.095 1.00 0.24 N ATOM 359 CA MET A 24 12.943 24.444 0.512 1.00 0.27 C ATOM 360 C MET A 24 13.053 24.206 -1.028 1.00 0.20 C ATOM 361 O MET A 24 12.424 23.329 -1.578 1.00 0.21 O ATOM 362 CB MET A 24 12.306 25.819 0.788 1.00 0.44 C ATOM 363 CG MET A 24 12.168 26.152 2.277 1.00 0.56 C ATOM 364 SD MET A 24 11.170 27.624 2.626 1.00 1.30 S ATOM 365 CE MET A 24 12.427 28.867 2.250 1.00 2.66 C ATOM 0 H MET A 24 14.593 25.363 1.488 1.00 0.24 H new ATOM 0 HA MET A 24 12.335 23.653 0.951 1.00 0.27 H new ATOM 0 HB2 MET A 24 12.908 26.590 0.308 1.00 0.44 H new ATOM 0 HB3 MET A 24 11.319 25.851 0.326 1.00 0.44 H new ATOM 0 HG2 MET A 24 11.724 25.298 2.788 1.00 0.56 H new ATOM 0 HG3 MET A 24 13.163 26.294 2.699 1.00 0.56 H new ATOM 0 HE1 MET A 24 12.502 29.571 3.079 1.00 2.66 H new ATOM 0 HE2 MET A 24 13.390 28.378 2.101 1.00 2.66 H new ATOM 0 HE3 MET A 24 12.148 29.403 1.343 1.00 2.66 H new ATOM 375 N LEU A 25 13.844 25.009 -1.676 1.00 0.19 N ATOM 376 CA LEU A 25 14.122 24.974 -3.138 1.00 0.18 C ATOM 377 C LEU A 25 14.371 23.590 -3.726 1.00 0.19 C ATOM 378 O LEU A 25 13.768 23.166 -4.690 1.00 0.22 O ATOM 379 CB LEU A 25 15.361 25.753 -3.256 1.00 0.30 C ATOM 380 CG LEU A 25 15.158 27.283 -3.268 1.00 0.38 C ATOM 381 CD1 LEU A 25 15.702 27.650 -4.562 1.00 0.54 C ATOM 382 CD2 LEU A 25 13.748 27.834 -3.134 1.00 0.48 C ATOM 0 H LEU A 25 14.354 25.755 -1.203 1.00 0.19 H new ATOM 0 HA LEU A 25 13.255 25.348 -3.683 1.00 0.18 H new ATOM 0 HB2 LEU A 25 16.019 25.493 -2.426 1.00 0.30 H new ATOM 0 HB3 LEU A 25 15.873 25.460 -4.173 1.00 0.30 H new ATOM 0 HG LEU A 25 15.629 27.703 -2.379 1.00 0.38 H new ATOM 0 HD11 LEU A 25 15.618 28.728 -4.699 1.00 0.54 H new ATOM 0 HD12 LEU A 25 16.751 27.358 -4.612 1.00 0.54 H new ATOM 0 HD13 LEU A 25 15.146 27.140 -5.348 1.00 0.54 H new ATOM 0 HD21 LEU A 25 13.779 28.923 -3.161 1.00 0.48 H new ATOM 0 HD22 LEU A 25 13.135 27.468 -3.957 1.00 0.48 H new ATOM 0 HD23 LEU A 25 13.318 27.506 -2.188 1.00 0.48 H new ATOM 394 N PHE A 26 15.305 22.957 -3.075 1.00 0.21 N ATOM 395 CA PHE A 26 15.751 21.587 -3.424 1.00 0.29 C ATOM 396 C PHE A 26 14.471 20.761 -3.468 1.00 0.29 C ATOM 397 O PHE A 26 14.011 20.333 -4.510 1.00 0.30 O ATOM 398 CB PHE A 26 16.691 21.162 -2.268 1.00 0.40 C ATOM 399 CG PHE A 26 17.255 19.790 -2.610 1.00 0.61 C ATOM 400 CD1 PHE A 26 16.561 18.670 -2.219 1.00 0.99 C ATOM 401 CD2 PHE A 26 18.427 19.657 -3.328 1.00 1.51 C ATOM 402 CE1 PHE A 26 17.024 17.420 -2.545 1.00 1.04 C ATOM 403 CE2 PHE A 26 18.896 18.402 -3.658 1.00 1.70 C ATOM 404 CZ PHE A 26 18.193 17.283 -3.266 1.00 1.04 C ATOM 0 H PHE A 26 15.798 23.358 -2.277 1.00 0.21 H new ATOM 0 HA PHE A 26 16.281 21.480 -4.370 1.00 0.29 H new ATOM 0 HB2 PHE A 26 17.496 21.886 -2.144 1.00 0.40 H new ATOM 0 HB3 PHE A 26 16.146 21.127 -1.325 1.00 0.40 H new ATOM 0 HD1 PHE A 26 15.647 18.774 -1.653 1.00 0.99 H new ATOM 0 HD2 PHE A 26 18.977 20.536 -3.631 1.00 1.51 H new ATOM 0 HE1 PHE A 26 16.474 16.543 -2.237 1.00 1.04 H new ATOM 0 HE2 PHE A 26 19.811 18.297 -4.222 1.00 1.70 H new ATOM 0 HZ PHE A 26 18.557 16.299 -3.523 1.00 1.04 H new ATOM 414 N ILE A 27 13.927 20.581 -2.299 1.00 0.27 N ATOM 415 CA ILE A 27 12.658 19.811 -2.117 1.00 0.24 C ATOM 416 C ILE A 27 11.677 20.204 -3.222 1.00 0.24 C ATOM 417 O ILE A 27 11.314 19.444 -4.086 1.00 0.27 O ATOM 418 CB ILE A 27 12.173 20.278 -0.707 1.00 0.18 C ATOM 419 CG1 ILE A 27 12.526 19.265 0.404 1.00 0.19 C ATOM 420 CG2 ILE A 27 10.631 20.499 -0.537 1.00 0.14 C ATOM 421 CD1 ILE A 27 13.908 18.596 0.279 1.00 0.14 C ATOM 0 H ILE A 27 14.320 20.946 -1.432 1.00 0.27 H new ATOM 0 HA ILE A 27 12.763 18.728 -2.176 1.00 0.24 H new ATOM 0 HB ILE A 27 12.694 21.231 -0.620 1.00 0.18 H new ATOM 0 HG12 ILE A 27 12.475 19.775 1.366 1.00 0.19 H new ATOM 0 HG13 ILE A 27 11.764 18.485 0.416 1.00 0.19 H new ATOM 0 HG21 ILE A 27 10.420 20.821 0.483 1.00 0.14 H new ATOM 0 HG22 ILE A 27 10.294 21.264 -1.236 1.00 0.14 H new ATOM 0 HG23 ILE A 27 10.105 19.566 -0.739 1.00 0.14 H new ATOM 0 HD11 ILE A 27 14.054 17.904 1.109 1.00 0.14 H new ATOM 0 HD12 ILE A 27 13.964 18.050 -0.663 1.00 0.14 H new ATOM 0 HD13 ILE A 27 14.685 19.360 0.302 1.00 0.14 H new ATOM 433 N TYR A 28 11.288 21.434 -3.152 1.00 0.24 N ATOM 434 CA TYR A 28 10.333 22.051 -4.104 1.00 0.26 C ATOM 435 C TYR A 28 10.520 21.715 -5.577 1.00 0.20 C ATOM 436 O TYR A 28 9.678 21.106 -6.199 1.00 0.19 O ATOM 437 CB TYR A 28 10.518 23.559 -3.944 1.00 0.32 C ATOM 438 CG TYR A 28 9.641 24.264 -4.968 1.00 0.30 C ATOM 439 CD1 TYR A 28 8.266 24.185 -4.834 1.00 1.23 C ATOM 440 CD2 TYR A 28 10.201 24.974 -6.015 1.00 1.47 C ATOM 441 CE1 TYR A 28 7.435 24.812 -5.736 1.00 1.27 C ATOM 442 CE2 TYR A 28 9.344 25.592 -6.907 1.00 1.40 C ATOM 443 CZ TYR A 28 7.983 25.515 -6.772 1.00 0.32 C ATOM 444 OH TYR A 28 7.175 26.155 -7.677 1.00 0.36 O ATOM 0 H TYR A 28 11.613 22.077 -2.430 1.00 0.24 H new ATOM 0 HA TYR A 28 9.345 21.661 -3.858 1.00 0.26 H new ATOM 0 HB2 TYR A 28 10.246 23.869 -2.935 1.00 0.32 H new ATOM 0 HB3 TYR A 28 11.564 23.830 -4.090 1.00 0.32 H new ATOM 0 HD1 TYR A 28 7.840 23.626 -4.014 1.00 1.23 H new ATOM 0 HD2 TYR A 28 11.272 25.043 -6.132 1.00 1.47 H new ATOM 0 HE1 TYR A 28 6.362 24.749 -5.626 1.00 1.27 H new ATOM 0 HE2 TYR A 28 9.759 26.151 -7.733 1.00 1.40 H new ATOM 0 HH TYR A 28 6.935 25.535 -8.397 1.00 0.36 H new ATOM 454 N SER A 29 11.647 22.138 -6.056 1.00 0.18 N ATOM 455 CA SER A 29 12.062 21.952 -7.464 1.00 0.14 C ATOM 456 C SER A 29 11.794 20.498 -7.885 1.00 0.10 C ATOM 457 O SER A 29 11.075 20.192 -8.816 1.00 0.14 O ATOM 458 CB SER A 29 13.558 22.319 -7.502 1.00 0.12 C ATOM 459 OG SER A 29 14.224 21.324 -6.741 1.00 0.10 O ATOM 0 H SER A 29 12.337 22.635 -5.492 1.00 0.18 H new ATOM 0 HA SER A 29 11.508 22.577 -8.165 1.00 0.14 H new ATOM 0 HB2 SER A 29 13.929 22.340 -8.527 1.00 0.12 H new ATOM 0 HB3 SER A 29 13.727 23.310 -7.082 1.00 0.12 H new ATOM 0 HG SER A 29 14.013 21.443 -5.791 1.00 0.10 H new ATOM 465 N HIS A 30 12.401 19.627 -7.133 1.00 0.08 N ATOM 466 CA HIS A 30 12.275 18.182 -7.368 1.00 0.12 C ATOM 467 C HIS A 30 10.838 17.687 -7.168 1.00 0.14 C ATOM 468 O HIS A 30 10.330 17.032 -8.045 1.00 0.17 O ATOM 469 CB HIS A 30 13.252 17.548 -6.382 1.00 0.09 C ATOM 470 CG HIS A 30 14.670 17.719 -6.908 1.00 0.08 C ATOM 471 ND1 HIS A 30 15.262 18.850 -7.072 1.00 0.79 N ATOM 472 CD2 HIS A 30 15.604 16.789 -7.314 1.00 0.72 C ATOM 473 CE1 HIS A 30 16.457 18.658 -7.539 1.00 0.57 C ATOM 474 NE2 HIS A 30 16.712 17.386 -7.702 1.00 0.39 N ATOM 0 H HIS A 30 12.996 19.874 -6.342 1.00 0.08 H new ATOM 0 HA HIS A 30 12.508 17.912 -8.398 1.00 0.12 H new ATOM 0 HB2 HIS A 30 13.155 18.016 -5.403 1.00 0.09 H new ATOM 0 HB3 HIS A 30 13.023 16.490 -6.253 1.00 0.09 H new ATOM 0 HD1 HIS A 30 14.853 19.761 -6.866 1.00 0.79 H new ATOM 0 HD2 HIS A 30 15.449 15.720 -7.314 1.00 0.72 H new ATOM 0 HE1 HIS A 30 17.155 19.451 -7.765 1.00 0.57 H new ATOM 482 N TYR A 31 10.205 17.994 -6.060 1.00 0.14 N ATOM 483 CA TYR A 31 8.794 17.532 -5.808 1.00 0.14 C ATOM 484 C TYR A 31 7.994 17.888 -7.014 1.00 0.19 C ATOM 485 O TYR A 31 7.417 17.043 -7.661 1.00 0.29 O ATOM 486 CB TYR A 31 8.055 18.300 -4.668 1.00 0.20 C ATOM 487 CG TYR A 31 6.644 17.683 -4.449 1.00 0.18 C ATOM 488 CD1 TYR A 31 6.499 16.598 -3.607 1.00 0.82 C ATOM 489 CD2 TYR A 31 5.503 18.184 -5.068 1.00 0.86 C ATOM 490 CE1 TYR A 31 5.277 16.015 -3.373 1.00 0.81 C ATOM 491 CE2 TYR A 31 4.263 17.589 -4.818 1.00 0.88 C ATOM 492 CZ TYR A 31 4.151 16.495 -3.964 1.00 0.25 C ATOM 493 OH TYR A 31 2.956 15.855 -3.694 1.00 0.30 O ATOM 0 H TYR A 31 10.608 18.552 -5.308 1.00 0.14 H new ATOM 0 HA TYR A 31 8.869 16.474 -5.557 1.00 0.14 H new ATOM 0 HB2 TYR A 31 8.633 18.246 -3.746 1.00 0.20 H new ATOM 0 HB3 TYR A 31 7.965 19.355 -4.926 1.00 0.20 H new ATOM 0 HD1 TYR A 31 7.373 16.195 -3.117 1.00 0.82 H new ATOM 0 HD2 TYR A 31 5.575 19.028 -5.738 1.00 0.86 H new ATOM 0 HE1 TYR A 31 5.210 15.164 -2.711 1.00 0.81 H new ATOM 0 HE2 TYR A 31 3.378 17.984 -5.295 1.00 0.88 H new ATOM 0 HH TYR A 31 3.137 14.957 -3.345 1.00 0.30 H new ATOM 503 N LYS A 32 7.986 19.163 -7.276 1.00 0.15 N ATOM 504 CA LYS A 32 7.238 19.668 -8.440 1.00 0.18 C ATOM 505 C LYS A 32 7.611 18.784 -9.649 1.00 0.17 C ATOM 506 O LYS A 32 6.723 18.346 -10.351 1.00 0.16 O ATOM 507 CB LYS A 32 7.522 21.118 -8.417 1.00 0.20 C ATOM 508 CG LYS A 32 7.017 21.829 -7.104 1.00 0.25 C ATOM 509 CD LYS A 32 5.494 21.664 -6.808 1.00 0.36 C ATOM 510 CE LYS A 32 4.700 22.495 -7.745 1.00 0.02 C ATOM 511 NZ LYS A 32 3.233 22.319 -7.451 1.00 0.45 N ATOM 0 H LYS A 32 8.470 19.874 -6.727 1.00 0.15 H new ATOM 0 HA LYS A 32 6.151 19.592 -8.466 1.00 0.18 H new ATOM 0 HB2 LYS A 32 8.596 21.273 -8.516 1.00 0.20 H new ATOM 0 HB3 LYS A 32 7.051 21.588 -9.281 1.00 0.20 H new ATOM 0 HG2 LYS A 32 7.581 21.438 -6.257 1.00 0.25 H new ATOM 0 HG3 LYS A 32 7.245 22.893 -7.174 1.00 0.25 H new ATOM 0 HD2 LYS A 32 5.208 20.617 -6.906 1.00 0.36 H new ATOM 0 HD3 LYS A 32 5.281 21.957 -5.780 1.00 0.36 H new ATOM 0 HE2 LYS A 32 4.979 23.544 -7.644 1.00 0.02 H new ATOM 0 HE3 LYS A 32 4.913 22.206 -8.774 1.00 0.02 H new ATOM 0 HZ1 LYS A 32 2.675 22.901 -8.108 1.00 0.45 H new ATOM 0 HZ2 LYS A 32 2.973 21.319 -7.569 1.00 0.45 H new ATOM 0 HZ3 LYS A 32 3.037 22.615 -6.473 1.00 0.45 H new ATOM 525 N GLN A 33 8.873 18.531 -9.879 1.00 0.18 N ATOM 526 CA GLN A 33 9.242 17.646 -11.043 1.00 0.20 C ATOM 527 C GLN A 33 8.592 16.239 -10.906 1.00 0.26 C ATOM 528 O GLN A 33 7.791 15.786 -11.696 1.00 0.44 O ATOM 529 CB GLN A 33 10.758 17.416 -10.975 1.00 0.36 C ATOM 530 CG GLN A 33 11.447 18.266 -11.958 1.00 0.20 C ATOM 531 CD GLN A 33 11.259 17.714 -13.344 1.00 0.53 C ATOM 532 OE1 GLN A 33 11.840 16.716 -13.686 1.00 1.26 O ATOM 533 NE2 GLN A 33 10.471 18.306 -14.174 1.00 0.08 N ATOM 0 H GLN A 33 9.655 18.886 -9.329 1.00 0.18 H new ATOM 0 HA GLN A 33 8.910 18.123 -11.965 1.00 0.20 H new ATOM 0 HB2 GLN A 33 11.122 17.639 -9.972 1.00 0.36 H new ATOM 0 HB3 GLN A 33 10.983 16.367 -11.170 1.00 0.36 H new ATOM 0 HG2 GLN A 33 11.057 19.283 -11.908 1.00 0.20 H new ATOM 0 HG3 GLN A 33 12.510 18.320 -11.721 1.00 0.20 H new ATOM 0 HE21 GLN A 33 9.975 19.152 -13.892 1.00 0.08 H new ATOM 0 HE22 GLN A 33 10.343 17.929 -15.113 1.00 0.08 H new ATOM 542 N ALA A 34 9.004 15.595 -9.856 1.00 0.17 N ATOM 543 CA ALA A 34 8.582 14.227 -9.425 1.00 0.26 C ATOM 544 C ALA A 34 7.110 13.948 -9.686 1.00 0.11 C ATOM 545 O ALA A 34 6.711 12.940 -10.240 1.00 0.08 O ATOM 546 CB ALA A 34 8.812 14.194 -7.902 1.00 0.37 C ATOM 0 H ALA A 34 9.685 16.004 -9.216 1.00 0.17 H new ATOM 0 HA ALA A 34 9.147 13.479 -9.982 1.00 0.26 H new ATOM 0 HB1 ALA A 34 8.524 13.218 -7.512 1.00 0.37 H new ATOM 0 HB2 ALA A 34 9.866 14.373 -7.689 1.00 0.37 H new ATOM 0 HB3 ALA A 34 8.209 14.967 -7.426 1.00 0.37 H new ATOM 552 N THR A 35 6.359 14.913 -9.254 1.00 0.15 N ATOM 553 CA THR A 35 4.872 14.877 -9.378 1.00 0.16 C ATOM 554 C THR A 35 4.302 15.417 -10.665 1.00 0.36 C ATOM 555 O THR A 35 3.772 14.665 -11.456 1.00 0.68 O ATOM 556 CB THR A 35 4.288 15.706 -8.230 1.00 0.26 C ATOM 557 OG1 THR A 35 4.888 16.987 -8.335 1.00 0.24 O ATOM 558 CG2 THR A 35 4.842 15.251 -6.920 1.00 0.33 C ATOM 0 H THR A 35 6.721 15.754 -8.805 1.00 0.15 H new ATOM 0 HA THR A 35 4.601 13.821 -9.354 1.00 0.16 H new ATOM 0 HB THR A 35 3.200 15.653 -8.280 1.00 0.26 H new ATOM 0 HG1 THR A 35 5.663 17.035 -7.737 1.00 0.24 H new ATOM 0 HG21 THR A 35 4.416 15.851 -6.116 1.00 0.33 H new ATOM 0 HG22 THR A 35 4.589 14.202 -6.763 1.00 0.33 H new ATOM 0 HG23 THR A 35 5.926 15.367 -6.923 1.00 0.33 H new ATOM 566 N VAL A 36 4.464 16.688 -10.837 1.00 0.25 N ATOM 567 CA VAL A 36 3.962 17.427 -12.041 1.00 0.43 C ATOM 568 C VAL A 36 4.893 17.196 -13.218 1.00 0.53 C ATOM 569 O VAL A 36 4.530 16.687 -14.262 1.00 0.81 O ATOM 570 CB VAL A 36 4.076 19.001 -11.725 1.00 0.38 C ATOM 571 CG1 VAL A 36 3.510 19.879 -12.858 1.00 0.53 C ATOM 572 CG2 VAL A 36 3.428 19.385 -10.404 1.00 0.39 C ATOM 0 H VAL A 36 4.947 17.284 -10.164 1.00 0.25 H new ATOM 0 HA VAL A 36 2.948 17.096 -12.264 1.00 0.43 H new ATOM 0 HB VAL A 36 5.146 19.194 -11.647 1.00 0.38 H new ATOM 0 HG11 VAL A 36 3.614 20.930 -12.590 1.00 0.53 H new ATOM 0 HG12 VAL A 36 4.059 19.684 -13.779 1.00 0.53 H new ATOM 0 HG13 VAL A 36 2.456 19.645 -13.008 1.00 0.53 H new ATOM 0 HG21 VAL A 36 3.536 20.458 -10.244 1.00 0.39 H new ATOM 0 HG22 VAL A 36 2.369 19.127 -10.429 1.00 0.39 H new ATOM 0 HG23 VAL A 36 3.914 18.846 -9.590 1.00 0.39 H new ATOM 582 N GLY A 37 6.100 17.579 -12.951 1.00 0.40 N ATOM 583 CA GLY A 37 7.200 17.475 -13.950 1.00 0.54 C ATOM 584 C GLY A 37 7.760 18.866 -14.194 1.00 0.34 C ATOM 585 O GLY A 37 8.100 19.622 -13.297 1.00 0.29 O ATOM 0 H GLY A 37 6.384 17.973 -12.054 1.00 0.40 H new ATOM 0 HA2 GLY A 37 7.982 16.810 -13.584 1.00 0.54 H new ATOM 0 HA3 GLY A 37 6.828 17.048 -14.881 1.00 0.54 H new ATOM 589 N ASP A 38 7.858 19.138 -15.461 1.00 0.25 N ATOM 590 CA ASP A 38 8.371 20.416 -15.969 1.00 0.12 C ATOM 591 C ASP A 38 7.663 21.622 -15.377 1.00 0.26 C ATOM 592 O ASP A 38 6.453 21.702 -15.359 1.00 0.55 O ATOM 593 CB ASP A 38 8.167 20.299 -17.491 1.00 0.30 C ATOM 594 CG ASP A 38 9.133 19.288 -18.098 1.00 0.38 C ATOM 595 OD1 ASP A 38 9.601 18.444 -17.341 1.00 1.00 O ATOM 596 OD2 ASP A 38 9.322 19.449 -19.296 1.00 1.73 O ATOM 0 H ASP A 38 7.586 18.484 -16.195 1.00 0.25 H new ATOM 0 HA ASP A 38 9.412 20.583 -15.692 1.00 0.12 H new ATOM 0 HB2 ASP A 38 7.141 19.998 -17.701 1.00 0.30 H new ATOM 0 HB3 ASP A 38 8.315 21.273 -17.957 1.00 0.30 H new ATOM 601 N ILE A 39 8.468 22.521 -14.893 1.00 0.18 N ATOM 602 CA ILE A 39 7.951 23.765 -14.285 1.00 0.25 C ATOM 603 C ILE A 39 6.675 24.313 -14.902 1.00 0.51 C ATOM 604 O ILE A 39 6.689 25.102 -15.823 1.00 0.61 O ATOM 605 CB ILE A 39 9.070 24.711 -13.994 1.00 0.14 C ATOM 606 CG1 ILE A 39 8.448 25.732 -13.076 1.00 0.13 C ATOM 607 CG2 ILE A 39 9.692 25.283 -15.261 1.00 0.17 C ATOM 608 CD1 ILE A 39 9.496 26.430 -12.347 1.00 0.15 C ATOM 0 H ILE A 39 9.485 22.440 -14.895 1.00 0.18 H new ATOM 0 HA ILE A 39 7.542 23.525 -13.303 1.00 0.25 H new ATOM 0 HB ILE A 39 9.927 24.234 -13.519 1.00 0.14 H new ATOM 0 HG12 ILE A 39 7.856 26.443 -13.653 1.00 0.13 H new ATOM 0 HG13 ILE A 39 7.768 25.243 -12.378 1.00 0.13 H new ATOM 0 HG21 ILE A 39 10.500 25.964 -14.994 1.00 0.17 H new ATOM 0 HG22 ILE A 39 10.088 24.471 -15.870 1.00 0.17 H new ATOM 0 HG23 ILE A 39 8.933 25.824 -15.827 1.00 0.17 H new ATOM 0 HD11 ILE A 39 9.047 27.169 -11.683 1.00 0.15 H new ATOM 0 HD12 ILE A 39 10.069 25.713 -11.758 1.00 0.15 H new ATOM 0 HD13 ILE A 39 10.158 26.932 -13.053 1.00 0.15 H new ATOM 620 N ASN A 40 5.576 23.865 -14.342 1.00 0.69 N ATOM 621 CA ASN A 40 4.234 24.314 -14.831 1.00 0.88 C ATOM 622 C ASN A 40 3.690 25.433 -13.940 1.00 0.94 C ATOM 623 O ASN A 40 2.529 25.572 -13.613 1.00 1.24 O ATOM 624 CB ASN A 40 3.285 23.117 -15.027 1.00 0.91 C ATOM 625 CG ASN A 40 3.586 22.502 -16.386 1.00 0.69 C ATOM 626 OD1 ASN A 40 3.435 23.120 -17.415 1.00 1.77 O ATOM 627 ND2 ASN A 40 4.014 21.293 -16.454 1.00 1.26 N ATOM 0 H ASN A 40 5.551 23.205 -13.564 1.00 0.69 H new ATOM 0 HA ASN A 40 4.330 24.753 -15.824 1.00 0.88 H new ATOM 0 HB2 ASN A 40 3.429 22.382 -14.235 1.00 0.91 H new ATOM 0 HB3 ASN A 40 2.246 23.441 -14.976 1.00 0.91 H new ATOM 0 HD21 ASN A 40 4.218 20.875 -17.362 1.00 1.26 H new ATOM 0 HD22 ASN A 40 4.150 20.751 -15.600 1.00 1.26 H new ATOM 634 N THR A 41 4.672 26.203 -13.588 1.00 0.67 N ATOM 635 CA THR A 41 4.541 27.422 -12.739 1.00 0.78 C ATOM 636 C THR A 41 5.304 28.416 -13.535 1.00 0.84 C ATOM 637 O THR A 41 6.164 28.077 -14.333 1.00 1.85 O ATOM 638 CB THR A 41 5.219 27.396 -11.394 1.00 0.87 C ATOM 639 OG1 THR A 41 6.347 26.570 -11.521 1.00 1.06 O ATOM 640 CG2 THR A 41 4.371 26.723 -10.441 1.00 0.98 C ATOM 0 H THR A 41 5.634 26.023 -13.876 1.00 0.67 H new ATOM 0 HA THR A 41 3.485 27.588 -12.525 1.00 0.78 H new ATOM 0 HB THR A 41 5.449 28.413 -11.078 1.00 0.87 H new ATOM 0 HG1 THR A 41 6.084 25.635 -11.394 1.00 1.06 H new ATOM 0 HG21 THR A 41 4.861 26.704 -9.468 1.00 0.98 H new ATOM 0 HG22 THR A 41 3.423 27.254 -10.359 1.00 0.98 H new ATOM 0 HG23 THR A 41 4.187 25.702 -10.775 1.00 0.98 H new ATOM 648 N GLU A 42 4.998 29.638 -13.266 1.00 0.47 N ATOM 649 CA GLU A 42 5.695 30.701 -14.021 1.00 0.30 C ATOM 650 C GLU A 42 6.783 31.422 -13.282 1.00 0.23 C ATOM 651 O GLU A 42 6.815 31.478 -12.069 1.00 0.29 O ATOM 652 CB GLU A 42 4.650 31.658 -14.369 1.00 0.50 C ATOM 653 CG GLU A 42 4.396 32.642 -13.221 1.00 1.60 C ATOM 654 CD GLU A 42 3.205 33.559 -13.470 1.00 1.86 C ATOM 655 OE1 GLU A 42 3.359 34.423 -14.313 1.00 2.05 O ATOM 656 OE2 GLU A 42 2.221 33.325 -12.791 1.00 2.18 O ATOM 0 H GLU A 42 4.314 29.947 -12.575 1.00 0.47 H new ATOM 0 HA GLU A 42 6.206 30.240 -14.866 1.00 0.30 H new ATOM 0 HB2 GLU A 42 4.940 32.207 -15.265 1.00 0.50 H new ATOM 0 HB3 GLU A 42 3.729 31.125 -14.605 1.00 0.50 H new ATOM 0 HG2 GLU A 42 4.229 32.082 -12.301 1.00 1.60 H new ATOM 0 HG3 GLU A 42 5.288 33.249 -13.067 1.00 1.60 H new ATOM 663 N ARG A 43 7.621 31.985 -14.085 1.00 0.33 N ATOM 664 CA ARG A 43 8.744 32.710 -13.509 1.00 0.30 C ATOM 665 C ARG A 43 8.587 34.199 -13.181 1.00 0.51 C ATOM 666 O ARG A 43 8.373 35.009 -14.064 1.00 0.60 O ATOM 667 CB ARG A 43 9.874 32.613 -14.494 1.00 0.19 C ATOM 668 CG ARG A 43 11.100 33.071 -13.683 1.00 0.10 C ATOM 669 CD ARG A 43 12.252 33.388 -14.552 1.00 0.34 C ATOM 670 NE ARG A 43 13.361 33.612 -13.559 1.00 0.42 N ATOM 671 CZ ARG A 43 13.684 34.737 -13.036 1.00 1.20 C ATOM 672 NH1 ARG A 43 12.863 35.707 -12.993 1.00 2.32 N ATOM 673 NH2 ARG A 43 14.846 34.857 -12.525 1.00 1.43 N ATOM 0 H ARG A 43 7.572 31.971 -15.104 1.00 0.33 H new ATOM 0 HA ARG A 43 8.885 32.236 -12.538 1.00 0.30 H new ATOM 0 HB2 ARG A 43 9.996 31.596 -14.865 1.00 0.19 H new ATOM 0 HB3 ARG A 43 9.706 33.251 -15.362 1.00 0.19 H new ATOM 0 HG2 ARG A 43 10.837 33.950 -13.094 1.00 0.10 H new ATOM 0 HG3 ARG A 43 11.382 32.288 -12.979 1.00 0.10 H new ATOM 0 HD2 ARG A 43 12.480 32.571 -15.237 1.00 0.34 H new ATOM 0 HD3 ARG A 43 12.069 34.273 -15.161 1.00 0.34 H new ATOM 0 HE ARG A 43 13.904 32.796 -13.277 1.00 0.42 H new ATOM 0 HH11 ARG A 43 11.925 35.599 -13.380 1.00 2.32 H new ATOM 0 HH12 ARG A 43 13.142 36.593 -12.572 1.00 2.32 H new ATOM 0 HH21 ARG A 43 15.493 34.069 -12.539 1.00 1.43 H new ATOM 0 HH22 ARG A 43 15.128 35.741 -12.102 1.00 1.43 H new ATOM 687 N PRO A 44 8.692 34.499 -11.899 1.00 0.60 N ATOM 688 CA PRO A 44 8.593 35.908 -11.425 1.00 0.89 C ATOM 689 C PRO A 44 9.404 36.923 -12.301 1.00 1.29 C ATOM 690 O PRO A 44 10.391 36.574 -12.931 1.00 1.41 O ATOM 691 CB PRO A 44 9.268 35.788 -10.046 1.00 0.82 C ATOM 692 CG PRO A 44 8.826 34.400 -9.541 1.00 0.56 C ATOM 693 CD PRO A 44 8.889 33.506 -10.777 1.00 0.47 C ATOM 0 HA PRO A 44 7.570 36.284 -11.443 1.00 0.89 H new ATOM 0 HB2 PRO A 44 10.353 35.859 -10.124 1.00 0.82 H new ATOM 0 HB3 PRO A 44 8.945 36.581 -9.372 1.00 0.82 H new ATOM 0 HG2 PRO A 44 9.486 34.036 -8.753 1.00 0.56 H new ATOM 0 HG3 PRO A 44 7.819 34.431 -9.125 1.00 0.56 H new ATOM 0 HD2 PRO A 44 9.844 32.987 -10.856 1.00 0.47 H new ATOM 0 HD3 PRO A 44 8.111 32.743 -10.768 1.00 0.47 H new ATOM 701 N GLY A 45 8.960 38.151 -12.281 1.00 1.65 N ATOM 702 CA GLY A 45 9.636 39.234 -13.075 1.00 2.13 C ATOM 703 C GLY A 45 10.937 39.798 -12.466 1.00 3.04 C ATOM 704 O GLY A 45 11.492 39.322 -11.496 1.00 2.95 O ATOM 0 H GLY A 45 8.149 38.459 -11.744 1.00 1.65 H new ATOM 0 HA2 GLY A 45 9.861 38.845 -14.068 1.00 2.13 H new ATOM 0 HA3 GLY A 45 8.932 40.056 -13.206 1.00 2.13 H new ATOM 708 N MET A 46 11.353 40.840 -13.126 1.00 4.38 N ATOM 709 CA MET A 46 12.584 41.648 -12.825 1.00 5.44 C ATOM 710 C MET A 46 13.365 41.611 -11.479 1.00 5.28 C ATOM 711 O MET A 46 14.572 41.507 -11.541 1.00 5.63 O ATOM 712 CB MET A 46 12.219 43.104 -13.182 1.00 6.53 C ATOM 713 CG MET A 46 12.128 43.263 -14.726 1.00 7.30 C ATOM 714 SD MET A 46 11.081 42.125 -15.671 1.00 6.86 S ATOM 715 CE MET A 46 12.320 40.884 -16.135 1.00 8.50 C ATOM 0 H MET A 46 10.845 41.198 -13.935 1.00 4.38 H new ATOM 0 HA MET A 46 13.338 41.127 -13.415 1.00 5.44 H new ATOM 0 HB2 MET A 46 11.267 43.373 -12.723 1.00 6.53 H new ATOM 0 HB3 MET A 46 12.970 43.785 -12.781 1.00 6.53 H new ATOM 0 HG2 MET A 46 11.781 44.276 -14.932 1.00 7.30 H new ATOM 0 HG3 MET A 46 13.140 43.186 -15.124 1.00 7.30 H new ATOM 0 HE1 MET A 46 12.372 40.810 -17.221 1.00 8.50 H new ATOM 0 HE2 MET A 46 13.294 41.179 -15.744 1.00 8.50 H new ATOM 0 HE3 MET A 46 12.040 39.917 -15.719 1.00 8.50 H new ATOM 725 N LEU A 47 12.733 41.687 -10.333 1.00 4.82 N ATOM 726 CA LEU A 47 13.516 41.663 -9.037 1.00 4.75 C ATOM 727 C LEU A 47 13.653 40.323 -8.277 1.00 4.32 C ATOM 728 O LEU A 47 13.823 40.306 -7.073 1.00 4.10 O ATOM 729 CB LEU A 47 12.911 42.768 -8.100 1.00 4.79 C ATOM 730 CG LEU A 47 13.399 44.194 -8.458 1.00 5.43 C ATOM 731 CD1 LEU A 47 12.595 45.211 -7.626 1.00 5.08 C ATOM 732 CD2 LEU A 47 14.870 44.353 -8.005 1.00 6.19 C ATOM 0 H LEU A 47 11.721 41.764 -10.229 1.00 4.82 H new ATOM 0 HA LEU A 47 14.549 41.849 -9.332 1.00 4.75 H new ATOM 0 HB2 LEU A 47 11.823 42.735 -8.163 1.00 4.79 H new ATOM 0 HB3 LEU A 47 13.177 42.547 -7.066 1.00 4.79 H new ATOM 0 HG LEU A 47 13.284 44.353 -9.530 1.00 5.43 H new ATOM 0 HD11 LEU A 47 12.927 46.221 -7.866 1.00 5.08 H new ATOM 0 HD12 LEU A 47 11.534 45.113 -7.857 1.00 5.08 H new ATOM 0 HD13 LEU A 47 12.754 45.020 -6.565 1.00 5.08 H new ATOM 0 HD21 LEU A 47 15.221 45.355 -8.254 1.00 6.19 H new ATOM 0 HD22 LEU A 47 14.937 44.202 -6.928 1.00 6.19 H new ATOM 0 HD23 LEU A 47 15.489 43.615 -8.514 1.00 6.19 H new ATOM 744 N ASP A 48 13.588 39.230 -8.987 1.00 4.37 N ATOM 745 CA ASP A 48 13.717 37.864 -8.379 1.00 4.07 C ATOM 746 C ASP A 48 13.559 37.699 -6.810 1.00 2.51 C ATOM 747 O ASP A 48 14.490 37.436 -6.065 1.00 3.00 O ATOM 748 CB ASP A 48 15.122 37.430 -8.937 1.00 5.35 C ATOM 749 CG ASP A 48 15.100 37.161 -10.445 1.00 6.02 C ATOM 750 OD1 ASP A 48 14.045 37.237 -11.041 1.00 5.32 O ATOM 751 OD2 ASP A 48 16.156 36.870 -10.972 1.00 7.34 O ATOM 0 H ASP A 48 13.446 39.223 -9.997 1.00 4.37 H new ATOM 0 HA ASP A 48 12.873 37.231 -8.653 1.00 4.07 H new ATOM 0 HB2 ASP A 48 15.851 38.211 -8.722 1.00 5.35 H new ATOM 0 HB3 ASP A 48 15.454 36.532 -8.416 1.00 5.35 H new ATOM 756 N PHE A 49 12.328 37.866 -6.387 1.00 1.06 N ATOM 757 CA PHE A 49 11.955 37.750 -4.942 1.00 0.79 C ATOM 758 C PHE A 49 12.033 36.262 -4.478 1.00 0.62 C ATOM 759 O PHE A 49 12.515 35.383 -5.186 1.00 0.67 O ATOM 760 CB PHE A 49 10.479 38.291 -4.765 1.00 2.72 C ATOM 761 CG PHE A 49 10.228 39.715 -5.322 1.00 2.76 C ATOM 762 CD1 PHE A 49 11.164 40.725 -5.207 1.00 2.08 C ATOM 763 CD2 PHE A 49 9.019 40.010 -5.939 1.00 3.81 C ATOM 764 CE1 PHE A 49 10.899 41.991 -5.694 1.00 2.49 C ATOM 765 CE2 PHE A 49 8.750 41.281 -6.429 1.00 3.95 C ATOM 766 CZ PHE A 49 9.697 42.275 -6.303 1.00 3.25 C ATOM 0 H PHE A 49 11.545 38.084 -7.003 1.00 1.06 H new ATOM 0 HA PHE A 49 12.647 38.333 -4.335 1.00 0.79 H new ATOM 0 HB2 PHE A 49 9.794 37.600 -5.256 1.00 2.72 H new ATOM 0 HB3 PHE A 49 10.231 38.284 -3.704 1.00 2.72 H new ATOM 0 HD1 PHE A 49 12.112 40.523 -4.732 1.00 2.08 H new ATOM 0 HD2 PHE A 49 8.273 39.235 -6.040 1.00 3.81 H new ATOM 0 HE1 PHE A 49 11.644 42.767 -5.596 1.00 2.49 H new ATOM 0 HE2 PHE A 49 7.804 41.490 -6.906 1.00 3.95 H new ATOM 0 HZ PHE A 49 9.498 43.268 -6.679 1.00 3.25 H new ATOM 776 N LYS A 50 11.538 35.978 -3.301 1.00 0.78 N ATOM 777 CA LYS A 50 11.588 34.563 -2.793 1.00 0.92 C ATOM 778 C LYS A 50 10.473 33.681 -3.423 1.00 0.75 C ATOM 779 O LYS A 50 9.727 32.975 -2.775 1.00 0.83 O ATOM 780 CB LYS A 50 11.502 34.654 -1.250 1.00 1.44 C ATOM 781 CG LYS A 50 12.712 35.478 -0.713 1.00 1.33 C ATOM 782 CD LYS A 50 12.527 35.764 0.812 1.00 1.93 C ATOM 783 CE LYS A 50 12.758 34.503 1.631 1.00 2.79 C ATOM 784 NZ LYS A 50 14.206 34.166 1.507 1.00 3.34 N ATOM 0 H LYS A 50 11.104 36.653 -2.671 1.00 0.78 H new ATOM 0 HA LYS A 50 12.514 34.067 -3.085 1.00 0.92 H new ATOM 0 HB2 LYS A 50 10.566 35.127 -0.954 1.00 1.44 H new ATOM 0 HB3 LYS A 50 11.506 33.655 -0.815 1.00 1.44 H new ATOM 0 HG2 LYS A 50 13.639 34.929 -0.879 1.00 1.33 H new ATOM 0 HG3 LYS A 50 12.795 36.417 -1.260 1.00 1.33 H new ATOM 0 HD2 LYS A 50 13.224 36.541 1.128 1.00 1.93 H new ATOM 0 HD3 LYS A 50 11.522 36.143 0.996 1.00 1.93 H new ATOM 0 HE2 LYS A 50 12.487 34.665 2.674 1.00 2.79 H new ATOM 0 HE3 LYS A 50 12.138 33.685 1.264 1.00 2.79 H new ATOM 0 HZ1 LYS A 50 14.407 33.296 2.040 1.00 3.34 H new ATOM 0 HZ2 LYS A 50 14.444 34.021 0.505 1.00 3.34 H new ATOM 0 HZ3 LYS A 50 14.778 34.946 1.889 1.00 3.34 H new ATOM 798 N GLY A 51 10.430 33.786 -4.728 1.00 0.62 N ATOM 799 CA GLY A 51 9.460 33.052 -5.612 1.00 0.63 C ATOM 800 C GLY A 51 10.283 32.511 -6.774 1.00 0.65 C ATOM 801 O GLY A 51 10.158 31.384 -7.207 1.00 1.04 O ATOM 0 H GLY A 51 11.067 34.388 -5.249 1.00 0.62 H new ATOM 0 HA2 GLY A 51 8.972 32.243 -5.069 1.00 0.63 H new ATOM 0 HA3 GLY A 51 8.674 33.718 -5.967 1.00 0.63 H new ATOM 805 N LYS A 52 11.138 33.378 -7.250 1.00 0.44 N ATOM 806 CA LYS A 52 12.011 33.039 -8.356 1.00 0.46 C ATOM 807 C LYS A 52 12.903 31.939 -7.838 1.00 0.40 C ATOM 808 O LYS A 52 13.161 31.037 -8.573 1.00 0.63 O ATOM 809 CB LYS A 52 12.652 34.345 -8.706 1.00 0.37 C ATOM 810 CG LYS A 52 14.065 34.169 -9.206 1.00 1.40 C ATOM 811 CD LYS A 52 14.978 34.237 -7.961 1.00 2.31 C ATOM 812 CE LYS A 52 16.431 34.136 -8.500 1.00 3.38 C ATOM 813 NZ LYS A 52 17.420 34.125 -7.376 1.00 4.64 N ATOM 0 H LYS A 52 11.253 34.326 -6.892 1.00 0.44 H new ATOM 0 HA LYS A 52 11.573 32.643 -9.272 1.00 0.46 H new ATOM 0 HB2 LYS A 52 12.058 34.847 -9.470 1.00 0.37 H new ATOM 0 HB3 LYS A 52 12.656 34.992 -7.829 1.00 0.37 H new ATOM 0 HG2 LYS A 52 14.179 33.215 -9.720 1.00 1.40 H new ATOM 0 HG3 LYS A 52 14.324 34.950 -9.921 1.00 1.40 H new ATOM 0 HD2 LYS A 52 14.827 35.168 -7.415 1.00 2.31 H new ATOM 0 HD3 LYS A 52 14.759 33.423 -7.270 1.00 2.31 H new ATOM 0 HE2 LYS A 52 16.540 33.229 -9.094 1.00 3.38 H new ATOM 0 HE3 LYS A 52 16.637 34.977 -9.162 1.00 3.38 H new ATOM 0 HZ1 LYS A 52 18.383 34.057 -7.762 1.00 4.64 H new ATOM 0 HZ2 LYS A 52 17.329 35.002 -6.825 1.00 4.64 H new ATOM 0 HZ3 LYS A 52 17.236 33.308 -6.759 1.00 4.64 H new ATOM 827 N ALA A 53 13.368 31.989 -6.622 1.00 0.23 N ATOM 828 CA ALA A 53 14.239 30.873 -6.154 1.00 0.25 C ATOM 829 C ALA A 53 13.545 29.532 -6.491 1.00 0.18 C ATOM 830 O ALA A 53 14.016 28.775 -7.305 1.00 0.13 O ATOM 831 CB ALA A 53 14.311 31.130 -4.714 1.00 0.29 C ATOM 0 H ALA A 53 13.190 32.732 -5.946 1.00 0.23 H new ATOM 0 HA ALA A 53 15.228 30.815 -6.608 1.00 0.25 H new ATOM 0 HB1 ALA A 53 14.932 30.370 -4.239 1.00 0.29 H new ATOM 0 HB2 ALA A 53 14.747 32.114 -4.541 1.00 0.29 H new ATOM 0 HB3 ALA A 53 13.308 31.098 -4.288 1.00 0.29 H new ATOM 837 N LYS A 54 12.436 29.309 -5.837 1.00 0.19 N ATOM 838 CA LYS A 54 11.631 28.075 -6.053 1.00 0.12 C ATOM 839 C LYS A 54 11.396 27.861 -7.550 1.00 0.02 C ATOM 840 O LYS A 54 11.785 26.866 -8.132 1.00 0.15 O ATOM 841 CB LYS A 54 10.254 28.353 -5.366 1.00 0.17 C ATOM 842 CG LYS A 54 10.391 28.335 -3.839 1.00 0.36 C ATOM 843 CD LYS A 54 10.372 26.879 -3.323 1.00 1.57 C ATOM 844 CE LYS A 54 10.528 26.831 -1.811 1.00 1.85 C ATOM 845 NZ LYS A 54 9.362 27.532 -1.178 1.00 1.96 N ATOM 0 H LYS A 54 12.046 29.949 -5.145 1.00 0.19 H new ATOM 0 HA LYS A 54 12.133 27.194 -5.653 1.00 0.12 H new ATOM 0 HB2 LYS A 54 9.871 29.321 -5.689 1.00 0.17 H new ATOM 0 HB3 LYS A 54 9.529 27.602 -5.679 1.00 0.17 H new ATOM 0 HG2 LYS A 54 11.320 28.822 -3.543 1.00 0.36 H new ATOM 0 HG3 LYS A 54 9.577 28.901 -3.386 1.00 0.36 H new ATOM 0 HD2 LYS A 54 9.436 26.400 -3.610 1.00 1.57 H new ATOM 0 HD3 LYS A 54 11.176 26.313 -3.793 1.00 1.57 H new ATOM 0 HE2 LYS A 54 10.576 25.797 -1.470 1.00 1.85 H new ATOM 0 HE3 LYS A 54 11.461 27.309 -1.513 1.00 1.85 H new ATOM 0 HZ1 LYS A 54 9.299 27.265 -0.175 1.00 1.96 H new ATOM 0 HZ2 LYS A 54 9.492 28.561 -1.255 1.00 1.96 H new ATOM 0 HZ3 LYS A 54 8.485 27.256 -1.665 1.00 1.96 H new ATOM 859 N TRP A 55 10.758 28.835 -8.148 1.00 0.13 N ATOM 860 CA TRP A 55 10.452 28.752 -9.581 1.00 0.19 C ATOM 861 C TRP A 55 11.646 28.314 -10.378 1.00 0.21 C ATOM 862 O TRP A 55 11.650 27.307 -11.040 1.00 0.22 O ATOM 863 CB TRP A 55 10.046 30.139 -10.115 1.00 0.24 C ATOM 864 CG TRP A 55 9.576 29.811 -11.528 1.00 0.22 C ATOM 865 CD1 TRP A 55 8.307 29.454 -11.799 1.00 0.21 C ATOM 866 CD2 TRP A 55 10.309 29.758 -12.671 1.00 0.21 C ATOM 867 NE1 TRP A 55 8.342 29.195 -13.071 1.00 0.19 N ATOM 868 CE2 TRP A 55 9.477 29.352 -13.665 1.00 0.21 C ATOM 869 CE3 TRP A 55 11.604 30.013 -13.032 1.00 0.23 C ATOM 870 CZ2 TRP A 55 9.831 29.183 -14.951 1.00 0.26 C ATOM 871 CZ3 TRP A 55 12.004 29.853 -14.343 1.00 0.28 C ATOM 872 CH2 TRP A 55 11.123 29.434 -15.326 1.00 0.29 C ATOM 0 H TRP A 55 10.439 29.687 -7.687 1.00 0.13 H new ATOM 0 HA TRP A 55 9.645 28.027 -9.689 1.00 0.19 H new ATOM 0 HB2 TRP A 55 9.255 30.591 -9.517 1.00 0.24 H new ATOM 0 HB3 TRP A 55 10.883 30.837 -10.115 1.00 0.24 H new ATOM 0 HD1 TRP A 55 7.466 29.397 -11.124 1.00 0.21 H new ATOM 0 HE1 TRP A 55 7.513 28.883 -13.576 1.00 0.19 H new ATOM 0 HE3 TRP A 55 12.315 30.341 -12.288 1.00 0.23 H new ATOM 0 HZ2 TRP A 55 9.105 28.853 -15.679 1.00 0.26 H new ATOM 0 HZ3 TRP A 55 13.030 30.060 -14.609 1.00 0.28 H new ATOM 0 HH2 TRP A 55 11.443 29.310 -16.350 1.00 0.29 H new ATOM 883 N ASP A 56 12.638 29.128 -10.245 1.00 0.22 N ATOM 884 CA ASP A 56 13.903 28.849 -10.993 1.00 0.26 C ATOM 885 C ASP A 56 14.495 27.472 -10.640 1.00 0.24 C ATOM 886 O ASP A 56 14.722 26.661 -11.514 1.00 0.29 O ATOM 887 CB ASP A 56 14.818 30.097 -10.904 1.00 0.40 C ATOM 888 CG ASP A 56 14.995 30.837 -12.226 1.00 0.65 C ATOM 889 OD1 ASP A 56 14.971 30.171 -13.242 1.00 1.76 O ATOM 890 OD2 ASP A 56 15.148 32.051 -12.143 1.00 0.77 O ATOM 0 H ASP A 56 12.642 29.966 -9.663 1.00 0.22 H new ATOM 0 HA ASP A 56 13.728 28.717 -12.061 1.00 0.26 H new ATOM 0 HB2 ASP A 56 14.404 30.786 -10.167 1.00 0.40 H new ATOM 0 HB3 ASP A 56 15.798 29.790 -10.538 1.00 0.40 H new ATOM 895 N ALA A 57 14.743 27.218 -9.385 1.00 0.21 N ATOM 896 CA ALA A 57 15.302 25.914 -8.934 1.00 0.26 C ATOM 897 C ALA A 57 14.504 24.749 -9.552 1.00 0.16 C ATOM 898 O ALA A 57 15.046 23.736 -9.931 1.00 0.04 O ATOM 899 CB ALA A 57 15.183 25.930 -7.441 1.00 0.32 C ATOM 0 H ALA A 57 14.575 27.883 -8.630 1.00 0.21 H new ATOM 0 HA ALA A 57 16.337 25.775 -9.246 1.00 0.26 H new ATOM 0 HB1 ALA A 57 15.576 24.998 -7.035 1.00 0.32 H new ATOM 0 HB2 ALA A 57 15.751 26.769 -7.040 1.00 0.32 H new ATOM 0 HB3 ALA A 57 14.135 26.034 -7.161 1.00 0.32 H new ATOM 905 N TRP A 58 13.210 24.908 -9.616 1.00 0.20 N ATOM 906 CA TRP A 58 12.340 23.863 -10.208 1.00 0.16 C ATOM 907 C TRP A 58 12.582 23.944 -11.710 1.00 0.18 C ATOM 908 O TRP A 58 12.894 22.937 -12.301 1.00 0.17 O ATOM 909 CB TRP A 58 10.873 24.158 -9.875 1.00 0.19 C ATOM 910 CG TRP A 58 9.939 23.164 -10.623 1.00 0.21 C ATOM 911 CD1 TRP A 58 10.291 22.074 -11.394 1.00 0.20 C ATOM 912 CD2 TRP A 58 8.594 23.261 -10.627 1.00 0.21 C ATOM 913 NE1 TRP A 58 9.123 21.625 -11.794 1.00 0.20 N ATOM 914 CE2 TRP A 58 8.058 22.261 -11.391 1.00 0.20 C ATOM 915 CE3 TRP A 58 7.754 24.152 -10.016 1.00 0.21 C ATOM 916 CZ2 TRP A 58 6.707 22.125 -11.571 1.00 0.19 C ATOM 917 CZ3 TRP A 58 6.393 24.034 -10.180 1.00 0.21 C ATOM 918 CH2 TRP A 58 5.863 23.021 -10.961 1.00 0.20 C ATOM 0 H TRP A 58 12.715 25.733 -9.276 1.00 0.20 H new ATOM 0 HA TRP A 58 12.561 22.868 -9.821 1.00 0.16 H new ATOM 0 HB2 TRP A 58 10.714 24.078 -8.800 1.00 0.19 H new ATOM 0 HB3 TRP A 58 10.627 25.182 -10.158 1.00 0.19 H new ATOM 0 HD1 TRP A 58 11.276 21.689 -11.613 1.00 0.20 H new ATOM 0 HE1 TRP A 58 9.051 20.807 -12.399 1.00 0.20 H new ATOM 0 HE3 TRP A 58 8.159 24.946 -9.406 1.00 0.21 H new ATOM 0 HZ2 TRP A 58 6.312 21.327 -12.182 1.00 0.19 H new ATOM 0 HZ3 TRP A 58 5.732 24.738 -9.695 1.00 0.21 H new ATOM 0 HH2 TRP A 58 4.794 22.936 -11.090 1.00 0.20 H new ATOM 929 N ASN A 59 12.442 25.089 -12.311 1.00 0.19 N ATOM 930 CA ASN A 59 12.664 25.254 -13.770 1.00 0.21 C ATOM 931 C ASN A 59 13.891 24.464 -14.226 1.00 0.26 C ATOM 932 O ASN A 59 13.835 23.753 -15.204 1.00 0.33 O ATOM 933 CB ASN A 59 12.766 26.740 -13.919 1.00 0.17 C ATOM 934 CG ASN A 59 13.218 27.169 -15.256 1.00 0.41 C ATOM 935 OD1 ASN A 59 14.041 28.157 -15.233 1.00 0.50 O flip ATOM 936 ND2 ASN A 59 12.853 26.645 -16.288 1.00 0.63 N flip ATOM 0 H ASN A 59 12.173 25.948 -11.832 1.00 0.19 H new ATOM 0 HA ASN A 59 11.876 24.855 -14.409 1.00 0.21 H new ATOM 0 HB2 ASN A 59 11.793 27.185 -13.713 1.00 0.17 H new ATOM 0 HB3 ASN A 59 13.457 27.125 -13.170 1.00 0.17 H new ATOM 0 HD21 ASN A 59 12.199 25.863 -16.259 1.00 0.63 H new ATOM 0 HD22 ASN A 59 13.201 26.986 -17.184 1.00 0.63 H new ATOM 943 N GLU A 60 14.941 24.636 -13.484 1.00 0.24 N ATOM 944 CA GLU A 60 16.249 23.962 -13.726 1.00 0.32 C ATOM 945 C GLU A 60 16.100 22.478 -14.147 1.00 0.41 C ATOM 946 O GLU A 60 16.859 21.920 -14.913 1.00 0.46 O ATOM 947 CB GLU A 60 16.979 24.102 -12.386 1.00 0.33 C ATOM 948 CG GLU A 60 18.380 23.484 -12.437 1.00 0.66 C ATOM 949 CD GLU A 60 19.003 23.557 -11.045 1.00 1.21 C ATOM 950 OE1 GLU A 60 19.575 24.599 -10.790 1.00 0.69 O ATOM 951 OE2 GLU A 60 18.854 22.574 -10.337 1.00 2.51 O ATOM 0 H GLU A 60 14.948 25.252 -12.671 1.00 0.24 H new ATOM 0 HA GLU A 60 16.790 24.413 -14.558 1.00 0.32 H new ATOM 0 HB2 GLU A 60 17.056 25.157 -12.122 1.00 0.33 H new ATOM 0 HB3 GLU A 60 16.396 23.619 -11.602 1.00 0.33 H new ATOM 0 HG2 GLU A 60 18.323 22.448 -12.771 1.00 0.66 H new ATOM 0 HG3 GLU A 60 19.001 24.017 -13.157 1.00 0.66 H new ATOM 958 N LEU A 61 15.075 21.895 -13.601 1.00 0.42 N ATOM 959 CA LEU A 61 14.671 20.475 -13.802 1.00 0.50 C ATOM 960 C LEU A 61 13.668 20.149 -14.909 1.00 0.63 C ATOM 961 O LEU A 61 13.233 19.027 -15.048 1.00 1.28 O ATOM 962 CB LEU A 61 13.875 20.171 -12.617 1.00 0.37 C ATOM 963 CG LEU A 61 14.526 20.646 -11.344 1.00 0.36 C ATOM 964 CD1 LEU A 61 13.671 20.095 -10.355 1.00 0.31 C ATOM 965 CD2 LEU A 61 15.884 20.068 -11.171 1.00 0.40 C ATOM 0 H LEU A 61 14.448 22.392 -12.968 1.00 0.42 H new ATOM 0 HA LEU A 61 15.598 19.946 -14.024 1.00 0.50 H new ATOM 0 HB2 LEU A 61 12.894 20.635 -12.714 1.00 0.37 H new ATOM 0 HB3 LEU A 61 13.714 19.095 -12.559 1.00 0.37 H new ATOM 0 HG LEU A 61 14.646 21.729 -11.313 1.00 0.36 H new ATOM 0 HD11 LEU A 61 14.036 20.369 -9.365 1.00 0.31 H new ATOM 0 HD12 LEU A 61 12.661 20.483 -10.490 1.00 0.31 H new ATOM 0 HD13 LEU A 61 13.658 19.009 -10.449 1.00 0.31 H new ATOM 0 HD21 LEU A 61 16.320 20.435 -10.242 1.00 0.40 H new ATOM 0 HD22 LEU A 61 15.815 18.981 -11.135 1.00 0.40 H new ATOM 0 HD23 LEU A 61 16.515 20.364 -12.009 1.00 0.40 H new ATOM 977 N LYS A 62 13.318 21.155 -15.641 1.00 0.65 N ATOM 978 CA LYS A 62 12.349 21.030 -16.764 1.00 0.62 C ATOM 979 C LYS A 62 12.784 19.992 -17.843 1.00 0.62 C ATOM 980 O LYS A 62 13.277 20.226 -18.931 1.00 0.73 O ATOM 981 CB LYS A 62 11.902 22.427 -17.200 1.00 0.62 C ATOM 982 CG LYS A 62 10.887 22.202 -18.314 1.00 0.59 C ATOM 983 CD LYS A 62 11.524 22.636 -19.658 1.00 0.62 C ATOM 984 CE LYS A 62 10.532 22.451 -20.793 1.00 1.49 C ATOM 985 NZ LYS A 62 10.350 20.984 -21.009 1.00 2.17 N ATOM 0 H LYS A 62 13.676 22.101 -15.506 1.00 0.65 H new ATOM 0 HA LYS A 62 11.425 20.550 -16.442 1.00 0.62 H new ATOM 0 HB2 LYS A 62 11.457 22.974 -16.369 1.00 0.62 H new ATOM 0 HB3 LYS A 62 12.748 23.017 -17.553 1.00 0.62 H new ATOM 0 HG2 LYS A 62 10.596 21.152 -18.355 1.00 0.59 H new ATOM 0 HG3 LYS A 62 9.981 22.776 -18.122 1.00 0.59 H new ATOM 0 HD2 LYS A 62 11.833 23.680 -19.602 1.00 0.62 H new ATOM 0 HD3 LYS A 62 12.421 22.048 -19.850 1.00 0.62 H new ATOM 0 HE2 LYS A 62 9.580 22.922 -20.548 1.00 1.49 H new ATOM 0 HE3 LYS A 62 10.899 22.928 -21.702 1.00 1.49 H new ATOM 0 HZ1 LYS A 62 9.964 20.818 -21.960 1.00 2.17 H new ATOM 0 HZ2 LYS A 62 11.268 20.503 -20.919 1.00 2.17 H new ATOM 0 HZ3 LYS A 62 9.691 20.608 -20.298 1.00 2.17 H new ATOM 999 N GLY A 63 12.491 18.820 -17.385 1.00 0.52 N ATOM 1000 CA GLY A 63 12.737 17.505 -18.044 1.00 0.47 C ATOM 1001 C GLY A 63 13.560 16.507 -17.182 1.00 0.42 C ATOM 1002 O GLY A 63 14.194 15.652 -17.768 1.00 0.36 O ATOM 0 H GLY A 63 12.040 18.708 -16.477 1.00 0.52 H new ATOM 0 HA2 GLY A 63 11.778 17.050 -18.291 1.00 0.47 H new ATOM 0 HA3 GLY A 63 13.261 17.674 -18.984 1.00 0.47 H new ATOM 1006 N THR A 64 13.584 16.583 -15.859 1.00 0.48 N ATOM 1007 CA THR A 64 14.387 15.578 -15.083 1.00 0.44 C ATOM 1008 C THR A 64 13.478 14.330 -14.892 1.00 0.45 C ATOM 1009 O THR A 64 12.320 14.339 -15.254 1.00 0.63 O ATOM 1010 CB THR A 64 14.676 16.255 -13.706 1.00 0.45 C ATOM 1011 OG1 THR A 64 16.088 16.319 -13.621 1.00 0.45 O ATOM 1012 CG2 THR A 64 14.291 15.414 -12.501 1.00 0.46 C ATOM 0 H THR A 64 13.093 17.281 -15.300 1.00 0.48 H new ATOM 0 HA THR A 64 15.316 15.279 -15.569 1.00 0.44 H new ATOM 0 HB THR A 64 14.120 17.192 -13.678 1.00 0.45 H new ATOM 0 HG1 THR A 64 16.346 16.739 -12.774 1.00 0.45 H new ATOM 0 HG21 THR A 64 14.526 15.959 -11.587 1.00 0.46 H new ATOM 0 HG22 THR A 64 13.222 15.201 -12.532 1.00 0.46 H new ATOM 0 HG23 THR A 64 14.848 14.477 -12.518 1.00 0.46 H new ATOM 1020 N SER A 65 13.943 13.244 -14.334 1.00 0.64 N ATOM 1021 CA SER A 65 12.994 12.079 -14.178 1.00 0.83 C ATOM 1022 C SER A 65 12.250 12.141 -12.848 1.00 0.77 C ATOM 1023 O SER A 65 12.717 12.614 -11.822 1.00 0.96 O ATOM 1024 CB SER A 65 13.705 10.700 -14.163 1.00 0.98 C ATOM 1025 OG SER A 65 12.632 9.766 -13.966 1.00 2.01 O ATOM 0 H SER A 65 14.893 13.104 -13.990 1.00 0.64 H new ATOM 0 HA SER A 65 12.332 12.164 -15.039 1.00 0.83 H new ATOM 0 HB2 SER A 65 14.233 10.512 -15.098 1.00 0.98 H new ATOM 0 HB3 SER A 65 14.442 10.638 -13.362 1.00 0.98 H new ATOM 0 HG SER A 65 12.991 8.855 -13.945 1.00 2.01 H new ATOM 1031 N LYS A 66 11.067 11.608 -12.942 1.00 0.82 N ATOM 1032 CA LYS A 66 10.174 11.554 -11.769 1.00 0.86 C ATOM 1033 C LYS A 66 10.908 10.888 -10.607 1.00 0.63 C ATOM 1034 O LYS A 66 10.668 11.181 -9.455 1.00 0.73 O ATOM 1035 CB LYS A 66 8.996 10.653 -12.140 1.00 1.13 C ATOM 1036 CG LYS A 66 8.088 11.235 -13.281 1.00 0.67 C ATOM 1037 CD LYS A 66 7.905 12.776 -13.124 1.00 1.32 C ATOM 1038 CE LYS A 66 6.563 13.259 -13.662 1.00 1.60 C ATOM 1039 NZ LYS A 66 5.515 12.881 -12.659 1.00 1.78 N ATOM 0 H LYS A 66 10.681 11.204 -13.795 1.00 0.82 H new ATOM 0 HA LYS A 66 9.854 12.557 -11.488 1.00 0.86 H new ATOM 0 HB2 LYS A 66 9.378 9.681 -12.453 1.00 1.13 H new ATOM 0 HB3 LYS A 66 8.386 10.485 -11.253 1.00 1.13 H new ATOM 0 HG2 LYS A 66 8.533 11.016 -14.251 1.00 0.67 H new ATOM 0 HG3 LYS A 66 7.114 10.746 -13.260 1.00 0.67 H new ATOM 0 HD2 LYS A 66 7.989 13.044 -12.071 1.00 1.32 H new ATOM 0 HD3 LYS A 66 8.710 13.290 -13.649 1.00 1.32 H new ATOM 0 HE2 LYS A 66 6.577 14.338 -13.814 1.00 1.60 H new ATOM 0 HE3 LYS A 66 6.351 12.803 -14.629 1.00 1.60 H new ATOM 0 HZ1 LYS A 66 4.905 13.701 -12.468 1.00 1.78 H new ATOM 0 HZ2 LYS A 66 4.939 12.101 -13.036 1.00 1.78 H new ATOM 0 HZ3 LYS A 66 5.973 12.578 -11.776 1.00 1.78 H new ATOM 1053 N GLU A 67 11.808 10.032 -10.998 1.00 0.43 N ATOM 1054 CA GLU A 67 12.604 9.273 -10.016 1.00 0.58 C ATOM 1055 C GLU A 67 13.650 10.159 -9.434 1.00 0.50 C ATOM 1056 O GLU A 67 13.745 10.230 -8.233 1.00 0.57 O ATOM 1057 CB GLU A 67 13.170 8.035 -10.695 1.00 0.74 C ATOM 1058 CG GLU A 67 12.263 6.796 -10.384 1.00 1.04 C ATOM 1059 CD GLU A 67 12.047 6.566 -8.878 1.00 2.00 C ATOM 1060 OE1 GLU A 67 11.087 7.141 -8.388 1.00 2.28 O ATOM 1061 OE2 GLU A 67 12.845 5.843 -8.300 1.00 2.92 O ATOM 0 H GLU A 67 12.024 9.828 -11.974 1.00 0.43 H new ATOM 0 HA GLU A 67 11.988 8.932 -9.184 1.00 0.58 H new ATOM 0 HB2 GLU A 67 13.227 8.194 -11.772 1.00 0.74 H new ATOM 0 HB3 GLU A 67 14.186 7.850 -10.346 1.00 0.74 H new ATOM 0 HG2 GLU A 67 11.295 6.932 -10.867 1.00 1.04 H new ATOM 0 HG3 GLU A 67 12.714 5.905 -10.820 1.00 1.04 H new ATOM 1068 N ASP A 68 14.409 10.819 -10.258 1.00 0.49 N ATOM 1069 CA ASP A 68 15.445 11.713 -9.732 1.00 0.68 C ATOM 1070 C ASP A 68 14.834 12.632 -8.684 1.00 0.56 C ATOM 1071 O ASP A 68 15.289 12.784 -7.569 1.00 0.62 O ATOM 1072 CB ASP A 68 15.827 12.617 -10.871 1.00 1.10 C ATOM 1073 CG ASP A 68 16.227 11.946 -12.145 1.00 1.69 C ATOM 1074 OD1 ASP A 68 16.361 10.739 -12.200 1.00 1.06 O ATOM 1075 OD2 ASP A 68 16.367 12.765 -13.028 1.00 2.93 O ATOM 0 H ASP A 68 14.349 10.771 -11.275 1.00 0.49 H new ATOM 0 HA ASP A 68 16.272 11.136 -9.318 1.00 0.68 H new ATOM 0 HB2 ASP A 68 14.985 13.276 -11.082 1.00 1.10 H new ATOM 0 HB3 ASP A 68 16.652 13.249 -10.544 1.00 1.10 H new ATOM 1080 N ALA A 69 13.770 13.212 -9.162 1.00 0.44 N ATOM 1081 CA ALA A 69 12.954 14.164 -8.396 1.00 0.45 C ATOM 1082 C ALA A 69 12.491 13.482 -7.115 1.00 0.36 C ATOM 1083 O ALA A 69 12.847 13.953 -6.059 1.00 0.36 O ATOM 1084 CB ALA A 69 11.848 14.534 -9.333 1.00 0.36 C ATOM 0 H ALA A 69 13.424 13.047 -10.107 1.00 0.44 H new ATOM 0 HA ALA A 69 13.473 15.066 -8.070 1.00 0.45 H new ATOM 0 HB1 ALA A 69 11.182 15.246 -8.846 1.00 0.36 H new ATOM 0 HB2 ALA A 69 12.268 14.986 -10.232 1.00 0.36 H new ATOM 0 HB3 ALA A 69 11.287 13.640 -9.605 1.00 0.36 H new ATOM 1090 N MET A 70 11.745 12.405 -7.194 1.00 0.32 N ATOM 1091 CA MET A 70 11.265 11.689 -6.011 1.00 0.27 C ATOM 1092 C MET A 70 12.417 11.257 -5.121 1.00 0.25 C ATOM 1093 O MET A 70 12.548 11.682 -3.989 1.00 0.27 O ATOM 1094 CB MET A 70 10.474 10.459 -6.525 1.00 0.22 C ATOM 1095 CG MET A 70 9.077 10.896 -7.007 1.00 0.28 C ATOM 1096 SD MET A 70 7.804 9.639 -7.278 1.00 0.27 S ATOM 1097 CE MET A 70 6.429 10.782 -7.577 1.00 0.59 C ATOM 0 H MET A 70 11.447 11.991 -8.077 1.00 0.32 H new ATOM 0 HA MET A 70 10.632 12.336 -5.403 1.00 0.27 H new ATOM 0 HB2 MET A 70 11.017 9.982 -7.341 1.00 0.22 H new ATOM 0 HB3 MET A 70 10.379 9.719 -5.730 1.00 0.22 H new ATOM 0 HG2 MET A 70 8.686 11.607 -6.279 1.00 0.28 H new ATOM 0 HG3 MET A 70 9.208 11.438 -7.944 1.00 0.28 H new ATOM 0 HE1 MET A 70 5.749 10.349 -8.310 1.00 0.59 H new ATOM 0 HE2 MET A 70 5.893 10.958 -6.644 1.00 0.59 H new ATOM 0 HE3 MET A 70 6.817 11.727 -7.957 1.00 0.59 H new ATOM 1107 N LYS A 71 13.213 10.403 -5.691 1.00 0.25 N ATOM 1108 CA LYS A 71 14.404 9.859 -4.994 1.00 0.27 C ATOM 1109 C LYS A 71 15.132 11.012 -4.305 1.00 0.29 C ATOM 1110 O LYS A 71 15.038 11.108 -3.099 1.00 0.39 O ATOM 1111 CB LYS A 71 15.324 9.149 -6.027 1.00 0.23 C ATOM 1112 CG LYS A 71 14.681 7.861 -6.587 1.00 0.59 C ATOM 1113 CD LYS A 71 14.375 6.794 -5.491 1.00 2.27 C ATOM 1114 CE LYS A 71 15.614 6.182 -4.783 1.00 2.93 C ATOM 1115 NZ LYS A 71 16.269 7.166 -3.865 1.00 3.90 N ATOM 0 H LYS A 71 13.083 10.050 -6.639 1.00 0.25 H new ATOM 0 HA LYS A 71 14.112 9.127 -4.241 1.00 0.27 H new ATOM 0 HB2 LYS A 71 15.541 9.832 -6.848 1.00 0.23 H new ATOM 0 HB3 LYS A 71 16.276 8.904 -5.556 1.00 0.23 H new ATOM 0 HG2 LYS A 71 13.755 8.120 -7.100 1.00 0.59 H new ATOM 0 HG3 LYS A 71 15.347 7.425 -7.332 1.00 0.59 H new ATOM 0 HD2 LYS A 71 13.736 7.250 -4.735 1.00 2.27 H new ATOM 0 HD3 LYS A 71 13.804 5.985 -5.947 1.00 2.27 H new ATOM 0 HE2 LYS A 71 15.311 5.301 -4.216 1.00 2.93 H new ATOM 0 HE3 LYS A 71 16.333 5.848 -5.531 1.00 2.93 H new ATOM 0 HZ1 LYS A 71 16.731 6.658 -3.084 1.00 3.90 H new ATOM 0 HZ2 LYS A 71 16.980 7.712 -4.392 1.00 3.90 H new ATOM 0 HZ3 LYS A 71 15.551 7.813 -3.480 1.00 3.90 H new ATOM 1129 N ALA A 72 15.801 11.842 -5.071 1.00 0.20 N ATOM 1130 CA ALA A 72 16.555 13.006 -4.513 1.00 0.18 C ATOM 1131 C ALA A 72 15.786 13.654 -3.360 1.00 0.19 C ATOM 1132 O ALA A 72 16.263 13.714 -2.246 1.00 0.17 O ATOM 1133 CB ALA A 72 16.774 14.003 -5.654 1.00 0.29 C ATOM 0 H ALA A 72 15.856 11.757 -6.086 1.00 0.20 H new ATOM 0 HA ALA A 72 17.513 12.678 -4.109 1.00 0.18 H new ATOM 0 HB1 ALA A 72 17.323 14.868 -5.281 1.00 0.29 H new ATOM 0 HB2 ALA A 72 17.346 13.525 -6.450 1.00 0.29 H new ATOM 0 HB3 ALA A 72 15.809 14.327 -6.045 1.00 0.29 H new ATOM 1139 N TYR A 73 14.601 14.104 -3.674 1.00 0.22 N ATOM 1140 CA TYR A 73 13.727 14.765 -2.662 1.00 0.26 C ATOM 1141 C TYR A 73 13.830 14.051 -1.313 1.00 0.20 C ATOM 1142 O TYR A 73 14.259 14.641 -0.346 1.00 0.34 O ATOM 1143 CB TYR A 73 12.353 14.654 -3.293 1.00 0.39 C ATOM 1144 CG TYR A 73 11.214 15.433 -2.686 1.00 0.31 C ATOM 1145 CD1 TYR A 73 11.138 16.774 -2.875 1.00 1.07 C ATOM 1146 CD2 TYR A 73 10.238 14.807 -1.969 1.00 0.61 C ATOM 1147 CE1 TYR A 73 10.094 17.490 -2.353 1.00 1.00 C ATOM 1148 CE2 TYR A 73 9.191 15.521 -1.442 1.00 0.69 C ATOM 1149 CZ TYR A 73 9.111 16.873 -1.634 1.00 0.24 C ATOM 1150 OH TYR A 73 8.057 17.617 -1.156 1.00 0.29 O ATOM 0 H TYR A 73 14.194 14.040 -4.607 1.00 0.22 H new ATOM 0 HA TYR A 73 13.993 15.798 -2.438 1.00 0.26 H new ATOM 0 HB2 TYR A 73 12.443 14.958 -4.336 1.00 0.39 H new ATOM 0 HB3 TYR A 73 12.072 13.601 -3.290 1.00 0.39 H new ATOM 0 HD1 TYR A 73 11.906 17.280 -3.441 1.00 1.07 H new ATOM 0 HD2 TYR A 73 10.289 13.739 -1.814 1.00 0.61 H new ATOM 0 HE1 TYR A 73 10.048 18.557 -2.512 1.00 1.00 H new ATOM 0 HE2 TYR A 73 8.427 15.013 -0.873 1.00 0.69 H new ATOM 0 HH TYR A 73 7.290 17.522 -1.758 1.00 0.29 H new ATOM 1160 N ILE A 74 13.475 12.787 -1.321 1.00 0.17 N ATOM 1161 CA ILE A 74 13.522 11.981 -0.034 1.00 0.09 C ATOM 1162 C ILE A 74 14.987 11.904 0.370 1.00 0.17 C ATOM 1163 O ILE A 74 15.389 12.422 1.390 1.00 0.23 O ATOM 1164 CB ILE A 74 13.225 10.387 -0.070 1.00 0.07 C ATOM 1165 CG1 ILE A 74 12.196 9.809 -1.042 1.00 0.09 C ATOM 1166 CG2 ILE A 74 12.902 9.983 1.401 1.00 0.05 C ATOM 1167 CD1 ILE A 74 12.707 8.389 -1.440 1.00 0.56 C ATOM 0 H ILE A 74 13.158 12.275 -2.144 1.00 0.17 H new ATOM 0 HA ILE A 74 12.770 12.486 0.572 1.00 0.09 H new ATOM 0 HB ILE A 74 14.124 9.941 -0.495 1.00 0.07 H new ATOM 0 HG12 ILE A 74 11.213 9.750 -0.575 1.00 0.09 H new ATOM 0 HG13 ILE A 74 12.094 10.445 -1.922 1.00 0.09 H new ATOM 0 HG21 ILE A 74 12.691 8.915 1.447 1.00 0.05 H new ATOM 0 HG22 ILE A 74 13.757 10.212 2.037 1.00 0.05 H new ATOM 0 HG23 ILE A 74 12.032 10.540 1.749 1.00 0.05 H new ATOM 0 HD11 ILE A 74 12.004 7.931 -2.136 1.00 0.56 H new ATOM 0 HD12 ILE A 74 13.685 8.474 -1.914 1.00 0.56 H new ATOM 0 HD13 ILE A 74 12.790 7.769 -0.548 1.00 0.56 H new ATOM 1179 N ASP A 75 15.712 11.232 -0.492 1.00 0.26 N ATOM 1180 CA ASP A 75 17.159 10.967 -0.383 1.00 0.44 C ATOM 1181 C ASP A 75 17.914 12.046 0.361 1.00 0.43 C ATOM 1182 O ASP A 75 18.844 11.773 1.098 1.00 0.66 O ATOM 1183 CB ASP A 75 17.639 10.718 -1.820 1.00 0.54 C ATOM 1184 CG ASP A 75 17.076 9.468 -2.482 1.00 0.89 C ATOM 1185 OD1 ASP A 75 16.256 8.764 -1.902 1.00 1.05 O ATOM 1186 OD2 ASP A 75 17.511 9.258 -3.605 1.00 1.85 O ATOM 0 H ASP A 75 15.306 10.828 -1.336 1.00 0.26 H new ATOM 0 HA ASP A 75 17.361 10.093 0.236 1.00 0.44 H new ATOM 0 HB2 ASP A 75 17.376 11.583 -2.429 1.00 0.54 H new ATOM 0 HB3 ASP A 75 18.727 10.650 -1.816 1.00 0.54 H new ATOM 1191 N LYS A 76 17.454 13.237 0.100 1.00 0.32 N ATOM 1192 CA LYS A 76 18.019 14.458 0.697 1.00 0.48 C ATOM 1193 C LYS A 76 17.204 14.998 1.879 1.00 0.47 C ATOM 1194 O LYS A 76 17.795 15.344 2.876 1.00 0.74 O ATOM 1195 CB LYS A 76 18.079 15.477 -0.457 1.00 0.53 C ATOM 1196 CG LYS A 76 19.584 15.843 -0.652 1.00 0.99 C ATOM 1197 CD LYS A 76 20.060 16.667 0.596 1.00 1.12 C ATOM 1198 CE LYS A 76 20.375 18.116 0.226 1.00 1.26 C ATOM 1199 NZ LYS A 76 19.207 18.635 -0.550 1.00 2.31 N ATOM 0 H LYS A 76 16.673 13.410 -0.533 1.00 0.32 H new ATOM 0 HA LYS A 76 18.999 14.252 1.127 1.00 0.48 H new ATOM 0 HB2 LYS A 76 17.662 15.053 -1.370 1.00 0.53 H new ATOM 0 HB3 LYS A 76 17.492 16.365 -0.221 1.00 0.53 H new ATOM 0 HG2 LYS A 76 20.183 14.939 -0.760 1.00 0.99 H new ATOM 0 HG3 LYS A 76 19.718 16.425 -1.564 1.00 0.99 H new ATOM 0 HD2 LYS A 76 19.286 16.647 1.363 1.00 1.12 H new ATOM 0 HD3 LYS A 76 20.946 16.199 1.025 1.00 1.12 H new ATOM 0 HE2 LYS A 76 20.540 18.715 1.122 1.00 1.26 H new ATOM 0 HE3 LYS A 76 21.288 18.172 -0.367 1.00 1.26 H new ATOM 0 HZ1 LYS A 76 19.203 19.674 -0.518 1.00 2.31 H new ATOM 0 HZ2 LYS A 76 19.279 18.320 -1.538 1.00 2.31 H new ATOM 0 HZ3 LYS A 76 18.325 18.272 -0.135 1.00 2.31 H new ATOM 1213 N VAL A 77 15.895 15.069 1.772 1.00 0.26 N ATOM 1214 CA VAL A 77 14.978 15.579 2.831 1.00 0.22 C ATOM 1215 C VAL A 77 15.512 15.296 4.209 1.00 0.13 C ATOM 1216 O VAL A 77 15.498 16.162 5.051 1.00 0.20 O ATOM 1217 CB VAL A 77 13.609 14.930 2.554 1.00 0.21 C ATOM 1218 CG1 VAL A 77 13.002 14.322 3.763 1.00 0.22 C ATOM 1219 CG2 VAL A 77 12.676 15.969 1.973 1.00 0.18 C ATOM 0 H VAL A 77 15.401 14.771 0.931 1.00 0.26 H new ATOM 0 HA VAL A 77 14.885 16.665 2.802 1.00 0.22 H new ATOM 0 HB VAL A 77 13.769 14.118 1.844 1.00 0.21 H new ATOM 0 HG11 VAL A 77 12.039 13.881 3.504 1.00 0.22 H new ATOM 0 HG12 VAL A 77 13.663 13.548 4.152 1.00 0.22 H new ATOM 0 HG13 VAL A 77 12.857 15.090 4.523 1.00 0.22 H new ATOM 0 HG21 VAL A 77 11.705 15.516 1.775 1.00 0.18 H new ATOM 0 HG22 VAL A 77 12.556 16.788 2.682 1.00 0.18 H new ATOM 0 HG23 VAL A 77 13.094 16.353 1.043 1.00 0.18 H new ATOM 1229 N GLU A 78 15.937 14.078 4.371 1.00 0.13 N ATOM 1230 CA GLU A 78 16.521 13.609 5.688 1.00 0.19 C ATOM 1231 C GLU A 78 17.271 14.810 6.377 1.00 0.28 C ATOM 1232 O GLU A 78 17.111 15.113 7.547 1.00 0.42 O ATOM 1233 CB GLU A 78 17.373 12.345 5.339 1.00 0.13 C ATOM 1234 CG GLU A 78 17.139 11.185 6.389 1.00 0.68 C ATOM 1235 CD GLU A 78 17.781 11.453 7.748 1.00 0.74 C ATOM 1236 OE1 GLU A 78 18.361 12.495 7.959 1.00 1.56 O ATOM 1237 OE2 GLU A 78 17.691 10.576 8.584 1.00 1.44 O ATOM 0 H GLU A 78 15.911 13.364 3.643 1.00 0.13 H new ATOM 0 HA GLU A 78 15.792 13.306 6.439 1.00 0.19 H new ATOM 0 HB2 GLU A 78 17.113 11.993 4.341 1.00 0.13 H new ATOM 0 HB3 GLU A 78 18.430 12.611 5.317 1.00 0.13 H new ATOM 0 HG2 GLU A 78 16.067 11.040 6.525 1.00 0.68 H new ATOM 0 HG3 GLU A 78 17.538 10.255 5.985 1.00 0.68 H new ATOM 1244 N GLU A 79 18.064 15.481 5.578 1.00 0.26 N ATOM 1245 CA GLU A 79 18.855 16.667 6.042 1.00 0.27 C ATOM 1246 C GLU A 79 17.888 17.617 6.740 1.00 0.23 C ATOM 1247 O GLU A 79 18.065 18.019 7.862 1.00 0.26 O ATOM 1248 CB GLU A 79 19.454 17.390 4.785 1.00 0.26 C ATOM 1249 CG GLU A 79 20.614 16.541 4.171 1.00 0.22 C ATOM 1250 CD GLU A 79 21.880 16.614 5.036 1.00 1.79 C ATOM 1251 OE1 GLU A 79 21.787 16.301 6.214 1.00 3.35 O ATOM 1252 OE2 GLU A 79 22.874 16.986 4.430 1.00 1.57 O ATOM 0 H GLU A 79 18.200 15.249 4.594 1.00 0.26 H new ATOM 0 HA GLU A 79 19.658 16.366 6.714 1.00 0.27 H new ATOM 0 HB2 GLU A 79 18.674 17.544 4.040 1.00 0.26 H new ATOM 0 HB3 GLU A 79 19.825 18.375 5.067 1.00 0.26 H new ATOM 0 HG2 GLU A 79 20.296 15.503 4.076 1.00 0.22 H new ATOM 0 HG3 GLU A 79 20.837 16.900 3.166 1.00 0.22 H new ATOM 1259 N LEU A 80 16.848 17.981 6.047 1.00 0.16 N ATOM 1260 CA LEU A 80 15.811 18.900 6.581 1.00 0.11 C ATOM 1261 C LEU A 80 15.149 18.323 7.779 1.00 0.13 C ATOM 1262 O LEU A 80 14.933 18.968 8.783 1.00 0.19 O ATOM 1263 CB LEU A 80 14.837 19.084 5.480 1.00 0.06 C ATOM 1264 CG LEU A 80 15.649 19.497 4.237 1.00 0.09 C ATOM 1265 CD1 LEU A 80 14.643 20.079 3.395 1.00 0.11 C ATOM 1266 CD2 LEU A 80 16.681 20.581 4.532 1.00 0.11 C ATOM 0 H LEU A 80 16.669 17.665 5.094 1.00 0.16 H new ATOM 0 HA LEU A 80 16.245 19.848 6.899 1.00 0.11 H new ATOM 0 HB2 LEU A 80 14.285 18.163 5.293 1.00 0.06 H new ATOM 0 HB3 LEU A 80 14.104 19.849 5.735 1.00 0.06 H new ATOM 0 HG LEU A 80 16.199 18.651 3.825 1.00 0.09 H new ATOM 0 HD11 LEU A 80 15.099 20.418 2.465 1.00 0.11 H new ATOM 0 HD12 LEU A 80 13.878 19.335 3.174 1.00 0.11 H new ATOM 0 HD13 LEU A 80 14.187 20.927 3.906 1.00 0.11 H new ATOM 0 HD21 LEU A 80 17.220 20.829 3.618 1.00 0.11 H new ATOM 0 HD22 LEU A 80 16.176 21.471 4.908 1.00 0.11 H new ATOM 0 HD23 LEU A 80 17.385 20.219 5.281 1.00 0.11 H new ATOM 1278 N LYS A 81 14.836 17.080 7.622 1.00 0.13 N ATOM 1279 CA LYS A 81 14.165 16.322 8.713 1.00 0.22 C ATOM 1280 C LYS A 81 15.061 16.396 9.963 1.00 0.26 C ATOM 1281 O LYS A 81 14.571 16.297 11.070 1.00 0.35 O ATOM 1282 CB LYS A 81 13.995 14.966 8.100 1.00 0.35 C ATOM 1283 CG LYS A 81 13.137 13.953 8.904 1.00 0.53 C ATOM 1284 CD LYS A 81 12.862 12.786 7.908 1.00 0.98 C ATOM 1285 CE LYS A 81 12.103 11.589 8.509 1.00 0.88 C ATOM 1286 NZ LYS A 81 11.600 10.768 7.358 1.00 1.67 N ATOM 0 H LYS A 81 15.016 16.542 6.774 1.00 0.13 H new ATOM 0 HA LYS A 81 13.199 16.688 9.060 1.00 0.22 H new ATOM 0 HB2 LYS A 81 13.546 15.089 7.115 1.00 0.35 H new ATOM 0 HB3 LYS A 81 14.983 14.533 7.948 1.00 0.35 H new ATOM 0 HG2 LYS A 81 13.667 13.601 9.789 1.00 0.53 H new ATOM 0 HG3 LYS A 81 12.208 14.407 9.248 1.00 0.53 H new ATOM 0 HD2 LYS A 81 12.291 13.174 7.065 1.00 0.98 H new ATOM 0 HD3 LYS A 81 13.814 12.433 7.512 1.00 0.98 H new ATOM 0 HE2 LYS A 81 12.759 10.997 9.148 1.00 0.88 H new ATOM 0 HE3 LYS A 81 11.275 11.930 9.131 1.00 0.88 H new ATOM 0 HZ1 LYS A 81 10.853 10.125 7.690 1.00 1.67 H new ATOM 0 HZ2 LYS A 81 11.214 11.397 6.625 1.00 1.67 H new ATOM 0 HZ3 LYS A 81 12.383 10.212 6.959 1.00 1.67 H new ATOM 1300 N LYS A 82 16.338 16.593 9.722 1.00 0.23 N ATOM 1301 CA LYS A 82 17.320 16.685 10.854 1.00 0.30 C ATOM 1302 C LYS A 82 17.598 18.125 11.289 1.00 0.30 C ATOM 1303 O LYS A 82 17.637 18.428 12.461 1.00 0.34 O ATOM 1304 CB LYS A 82 18.665 16.096 10.413 1.00 0.30 C ATOM 1305 CG LYS A 82 18.586 14.573 10.318 1.00 0.88 C ATOM 1306 CD LYS A 82 19.827 14.013 11.058 1.00 1.04 C ATOM 1307 CE LYS A 82 19.805 12.496 11.154 1.00 1.94 C ATOM 1308 NZ LYS A 82 19.935 11.951 9.783 1.00 1.69 N ATOM 0 H LYS A 82 16.743 16.694 8.791 1.00 0.23 H new ATOM 0 HA LYS A 82 16.875 16.140 11.686 1.00 0.30 H new ATOM 0 HB2 LYS A 82 18.949 16.511 9.446 1.00 0.30 H new ATOM 0 HB3 LYS A 82 19.442 16.381 11.123 1.00 0.30 H new ATOM 0 HG2 LYS A 82 17.666 14.205 10.772 1.00 0.88 H new ATOM 0 HG3 LYS A 82 18.579 14.251 9.277 1.00 0.88 H new ATOM 0 HD2 LYS A 82 20.731 14.329 10.537 1.00 1.04 H new ATOM 0 HD3 LYS A 82 19.872 14.438 12.061 1.00 1.04 H new ATOM 0 HE2 LYS A 82 20.621 12.142 11.784 1.00 1.94 H new ATOM 0 HE3 LYS A 82 18.877 12.156 11.613 1.00 1.94 H new ATOM 0 HZ1 LYS A 82 19.623 10.959 9.773 1.00 1.69 H new ATOM 0 HZ2 LYS A 82 19.345 12.506 9.131 1.00 1.69 H new ATOM 0 HZ3 LYS A 82 20.929 12.005 9.481 1.00 1.69 H new ATOM 1322 N LYS A 83 17.799 18.984 10.341 1.00 0.32 N ATOM 1323 CA LYS A 83 18.080 20.415 10.580 1.00 0.39 C ATOM 1324 C LYS A 83 16.876 21.240 11.033 1.00 0.27 C ATOM 1325 O LYS A 83 16.948 22.073 11.914 1.00 0.32 O ATOM 1326 CB LYS A 83 18.558 20.953 9.242 1.00 0.43 C ATOM 1327 CG LYS A 83 19.105 22.352 9.495 1.00 0.70 C ATOM 1328 CD LYS A 83 19.737 22.900 8.226 1.00 0.32 C ATOM 1329 CE LYS A 83 20.143 24.352 8.501 1.00 1.27 C ATOM 1330 NZ LYS A 83 20.495 24.958 7.193 1.00 1.19 N ATOM 0 H LYS A 83 17.778 18.734 9.352 1.00 0.32 H new ATOM 0 HA LYS A 83 18.802 20.496 11.392 1.00 0.39 H new ATOM 0 HB2 LYS A 83 19.329 20.308 8.820 1.00 0.43 H new ATOM 0 HB3 LYS A 83 17.739 20.983 8.523 1.00 0.43 H new ATOM 0 HG2 LYS A 83 18.302 23.011 9.825 1.00 0.70 H new ATOM 0 HG3 LYS A 83 19.844 22.323 10.296 1.00 0.70 H new ATOM 0 HD2 LYS A 83 20.606 22.306 7.944 1.00 0.32 H new ATOM 0 HD3 LYS A 83 19.033 22.850 7.395 1.00 0.32 H new ATOM 0 HE2 LYS A 83 19.326 24.898 8.972 1.00 1.27 H new ATOM 0 HE3 LYS A 83 20.990 24.393 9.186 1.00 1.27 H new ATOM 0 HZ1 LYS A 83 20.890 25.908 7.346 1.00 1.19 H new ATOM 0 HZ2 LYS A 83 21.200 24.363 6.713 1.00 1.19 H new ATOM 0 HZ3 LYS A 83 19.642 25.029 6.602 1.00 1.19 H new ATOM 1344 N TYR A 84 15.810 20.970 10.354 1.00 0.18 N ATOM 1345 CA TYR A 84 14.491 21.637 10.605 1.00 0.31 C ATOM 1346 C TYR A 84 13.529 20.773 11.447 1.00 0.48 C ATOM 1347 O TYR A 84 12.911 21.302 12.351 1.00 0.72 O ATOM 1348 CB TYR A 84 13.927 21.996 9.208 1.00 0.31 C ATOM 1349 CG TYR A 84 14.966 22.888 8.520 1.00 0.23 C ATOM 1350 CD1 TYR A 84 15.419 24.017 9.159 1.00 1.11 C ATOM 1351 CD2 TYR A 84 15.479 22.579 7.282 1.00 1.21 C ATOM 1352 CE1 TYR A 84 16.368 24.833 8.598 1.00 1.11 C ATOM 1353 CE2 TYR A 84 16.432 23.397 6.717 1.00 1.23 C ATOM 1354 CZ TYR A 84 16.894 24.532 7.359 1.00 0.32 C ATOM 1355 OH TYR A 84 17.856 25.308 6.738 1.00 0.45 O ATOM 0 H TYR A 84 15.787 20.285 9.599 1.00 0.18 H new ATOM 0 HA TYR A 84 14.616 22.533 11.212 1.00 0.31 H new ATOM 0 HB2 TYR A 84 13.745 21.095 8.623 1.00 0.31 H new ATOM 0 HB3 TYR A 84 12.973 22.515 9.299 1.00 0.31 H new ATOM 0 HD1 TYR A 84 15.017 24.269 10.129 1.00 1.11 H new ATOM 0 HD2 TYR A 84 15.137 21.700 6.756 1.00 1.21 H new ATOM 0 HE1 TYR A 84 16.704 25.713 9.127 1.00 1.11 H new ATOM 0 HE2 TYR A 84 16.830 23.145 5.745 1.00 1.23 H new ATOM 0 HH TYR A 84 17.909 26.180 7.182 1.00 0.45 H new ATOM 1365 N GLY A 85 13.462 19.515 11.096 1.00 0.36 N ATOM 1366 CA GLY A 85 12.603 18.472 11.768 1.00 0.47 C ATOM 1367 C GLY A 85 11.247 18.800 12.417 1.00 0.48 C ATOM 1368 O GLY A 85 10.576 19.773 12.152 1.00 0.53 O ATOM 0 H GLY A 85 14.004 19.139 10.318 1.00 0.36 H new ATOM 0 HA2 GLY A 85 12.411 17.700 11.022 1.00 0.47 H new ATOM 0 HA3 GLY A 85 13.217 18.018 12.546 1.00 0.47 H new ATOM 1372 N ILE A 86 10.898 17.901 13.280 1.00 0.57 N ATOM 1373 CA ILE A 86 9.680 17.892 14.067 1.00 0.81 C ATOM 1374 C ILE A 86 10.158 18.125 15.535 1.00 0.87 C ATOM 1375 O ILE A 86 11.260 17.684 15.823 1.00 1.85 O ATOM 1376 CB ILE A 86 9.127 16.473 13.792 1.00 0.78 C ATOM 1377 CG1 ILE A 86 8.347 16.100 14.974 1.00 1.94 C ATOM 1378 CG2 ILE A 86 10.223 15.360 13.559 1.00 0.70 C ATOM 1379 CD1 ILE A 86 7.191 15.220 14.519 1.00 1.73 C ATOM 1380 OXT ILE A 86 9.433 18.723 16.312 1.00 1.45 O ATOM 0 H ILE A 86 11.489 17.093 13.476 1.00 0.57 H new ATOM 0 HA ILE A 86 8.911 18.634 13.853 1.00 0.81 H new ATOM 0 HB ILE A 86 8.554 16.520 12.866 1.00 0.78 H new ATOM 0 HG12 ILE A 86 8.972 15.567 15.690 1.00 1.94 H new ATOM 0 HG13 ILE A 86 7.972 16.990 15.479 1.00 1.94 H new ATOM 0 HG21 ILE A 86 9.736 14.403 13.375 1.00 0.70 H new ATOM 0 HG22 ILE A 86 10.836 15.627 12.698 1.00 0.70 H new ATOM 0 HG23 ILE A 86 10.855 15.281 14.443 1.00 0.70 H new ATOM 0 HD11 ILE A 86 6.594 14.928 15.383 1.00 1.73 H new ATOM 0 HD12 ILE A 86 6.567 15.773 13.817 1.00 1.73 H new ATOM 0 HD13 ILE A 86 7.583 14.328 14.031 1.00 1.73 H new TER 1392 ILE A 86