USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 970 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 48 THR OG1 : rot 180:sc= -0.0416 USER MOD Set 1.2: A 83 HIS : no HD1:sc= 0 X(o=-0.042,f=-0.042) USER MOD Single : A 1 GLY N :NH3+ 178:sc= 0.43 (180deg=0.407) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -37:sc= 0.0156 USER MOD Single : A 11 SER OG : rot 24:sc= 1.33 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 120:sc= -0.086 USER MOD Single : A 21 THR OG1 : rot -124:sc= 0.987 USER MOD Single : A 24 ASN : amide:sc= 0.51 K(o=0.51,f=-5.8!) USER MOD Single : A 37 THR OG1 : rot 87:sc= 0.866 USER MOD Single : A 46 HIS : no HD1:sc= -2 K(o=-2,f=-0.62) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -158:sc= 0.598 (180deg=-0.974!) USER MOD Single : A 57 LYS NZ :NH3+ -169:sc= -0.678 (180deg=-0.85) USER MOD Single : A 59 MET CE :methyl -131:sc= 0 (180deg=-0.152) USER MOD Single : A 61 MET CE :methyl 162:sc= 0 (180deg=-0.0301) USER MOD Single : A 72 LYS NZ :NH3+ 179:sc= 0.654 (180deg=0.52) USER MOD Single : A 78 LYS NZ :NH3+ -174:sc= 0.11 (180deg=-0.105) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 150:sc= -0.309 (180deg=-1.78!) USER MOD Single : A 90 LYS NZ :NH3+ 164:sc= 1.39 (180deg=1.08) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00823) USER MOD Single : A 112 LYS NZ :NH3+ -130:sc= 0.647 (180deg=-1.23!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.908 -2.716 0.740 1.00 9.48 N ATOM 2 CA GLY A 1 17.080 -3.520 1.957 1.00 10.17 C ATOM 3 C GLY A 1 17.365 -2.568 3.088 1.00 10.53 C ATOM 4 O GLY A 1 18.092 -1.613 2.850 1.00 10.73 O ATOM 0 H1 GLY A 1 16.742 -3.345 -0.071 1.00 9.48 H new ATOM 0 H2 GLY A 1 16.094 -2.080 0.856 1.00 9.48 H new ATOM 0 H3 GLY A 1 17.766 -2.153 0.572 1.00 9.48 H new ATOM 0 HA2 GLY A 1 16.182 -4.102 2.162 1.00 10.17 H new ATOM 0 HA3 GLY A 1 17.899 -4.229 1.836 1.00 10.17 H new ATOM 10 N SER A 2 16.768 -2.786 4.264 1.00 11.01 N ATOM 11 CA SER A 2 16.533 -1.728 5.277 1.00 11.58 C ATOM 12 C SER A 2 15.425 -0.772 4.789 1.00 11.06 C ATOM 13 O SER A 2 15.503 0.438 4.995 1.00 11.87 O ATOM 14 CB SER A 2 17.808 -0.958 5.688 1.00 12.18 C ATOM 15 OG SER A 2 18.862 -1.836 6.060 1.00 12.62 O ATOM 0 H SER A 2 16.429 -3.704 4.551 1.00 11.01 H new ATOM 0 HA SER A 2 16.204 -2.230 6.187 1.00 11.58 H new ATOM 0 HB2 SER A 2 18.135 -0.329 4.860 1.00 12.18 H new ATOM 0 HB3 SER A 2 17.578 -0.294 6.521 1.00 12.18 H new ATOM 0 HG SER A 2 19.651 -1.312 6.311 1.00 12.62 H new ATOM 21 N PHE A 3 14.448 -1.348 4.068 1.00 10.02 N ATOM 22 CA PHE A 3 13.417 -0.708 3.247 1.00 9.38 C ATOM 23 C PHE A 3 13.987 -0.260 1.883 1.00 7.64 C ATOM 24 O PHE A 3 15.152 -0.538 1.570 1.00 7.47 O ATOM 25 CB PHE A 3 12.622 0.354 4.037 1.00 11.06 C ATOM 26 CG PHE A 3 12.166 -0.159 5.396 1.00 12.81 C ATOM 27 CD1 PHE A 3 11.288 -1.258 5.471 1.00 13.46 C ATOM 28 CD2 PHE A 3 12.704 0.382 6.579 1.00 14.08 C ATOM 29 CE1 PHE A 3 10.968 -1.827 6.716 1.00 15.32 C ATOM 30 CE2 PHE A 3 12.378 -0.182 7.827 1.00 15.80 C ATOM 31 CZ PHE A 3 11.518 -1.292 7.893 1.00 16.40 C ATOM 0 H PHE A 3 14.355 -2.364 4.046 1.00 10.02 H new ATOM 0 HA PHE A 3 12.657 -1.445 2.989 1.00 9.38 H new ATOM 0 HB2 PHE A 3 13.241 1.240 4.175 1.00 11.06 H new ATOM 0 HB3 PHE A 3 11.752 0.660 3.456 1.00 11.06 H new ATOM 0 HD1 PHE A 3 10.859 -1.665 4.568 1.00 13.46 H new ATOM 0 HD2 PHE A 3 13.369 1.232 6.529 1.00 14.08 H new ATOM 0 HE1 PHE A 3 10.300 -2.674 6.768 1.00 15.32 H new ATOM 0 HE2 PHE A 3 12.788 0.238 8.733 1.00 15.80 H new ATOM 0 HZ PHE A 3 11.280 -1.734 8.849 1.00 16.40 H new ATOM 41 N THR A 4 13.112 0.321 1.051 1.00 6.83 N ATOM 42 CA THR A 4 13.175 0.558 -0.411 1.00 5.41 C ATOM 43 C THR A 4 12.398 -0.496 -1.175 1.00 3.95 C ATOM 44 O THR A 4 11.915 -0.196 -2.260 1.00 4.46 O ATOM 45 CB THR A 4 14.576 0.741 -1.008 1.00 6.30 C ATOM 46 OG1 THR A 4 14.414 1.621 -2.092 1.00 7.08 O ATOM 47 CG2 THR A 4 15.259 -0.505 -1.581 1.00 6.39 C ATOM 0 H THR A 4 12.235 0.682 1.425 1.00 6.83 H new ATOM 0 HA THR A 4 12.701 1.532 -0.534 1.00 5.41 H new ATOM 0 HB THR A 4 15.210 1.074 -0.186 1.00 6.30 H new ATOM 0 HG1 THR A 4 13.569 1.426 -2.548 1.00 7.08 H new ATOM 0 HG21 THR A 4 16.241 -0.235 -1.970 1.00 6.39 H new ATOM 0 HG22 THR A 4 15.372 -1.252 -0.795 1.00 6.39 H new ATOM 0 HG23 THR A 4 14.650 -0.916 -2.387 1.00 6.39 H new ATOM 55 N GLU A 5 12.287 -1.700 -0.627 1.00 2.72 N ATOM 56 CA GLU A 5 11.351 -2.763 -1.021 1.00 1.58 C ATOM 57 C GLU A 5 10.059 -2.725 -0.181 1.00 1.36 C ATOM 58 O GLU A 5 9.977 -2.013 0.820 1.00 1.80 O ATOM 59 CB GLU A 5 11.991 -4.156 -0.913 1.00 1.76 C ATOM 60 CG GLU A 5 13.379 -4.232 -1.560 1.00 2.90 C ATOM 61 CD GLU A 5 14.501 -4.067 -0.526 1.00 4.23 C ATOM 62 OE1 GLU A 5 14.318 -3.303 0.451 1.00 5.26 O ATOM 63 OE2 GLU A 5 15.615 -4.608 -0.705 1.00 5.00 O ATOM 0 H GLU A 5 12.881 -1.984 0.152 1.00 2.72 H new ATOM 0 HA GLU A 5 11.097 -2.576 -2.064 1.00 1.58 H new ATOM 0 HB2 GLU A 5 12.071 -4.432 0.138 1.00 1.76 H new ATOM 0 HB3 GLU A 5 11.336 -4.888 -1.385 1.00 1.76 H new ATOM 0 HG2 GLU A 5 13.491 -5.190 -2.068 1.00 2.90 H new ATOM 0 HG3 GLU A 5 13.468 -3.456 -2.320 1.00 2.90 H new ATOM 70 N GLY A 6 9.052 -3.509 -0.586 1.00 1.27 N ATOM 71 CA GLY A 6 7.740 -3.601 0.063 1.00 1.10 C ATOM 72 C GLY A 6 7.635 -4.715 1.109 1.00 1.08 C ATOM 73 O GLY A 6 8.439 -5.643 1.107 1.00 1.25 O ATOM 0 H GLY A 6 9.132 -4.116 -1.402 1.00 1.27 H new ATOM 0 HA2 GLY A 6 7.515 -2.647 0.540 1.00 1.10 H new ATOM 0 HA3 GLY A 6 6.979 -3.762 -0.701 1.00 1.10 H new ATOM 77 N TRP A 7 6.594 -4.644 1.951 1.00 0.97 N ATOM 78 CA TRP A 7 6.282 -5.627 2.996 1.00 0.95 C ATOM 79 C TRP A 7 4.826 -5.542 3.484 1.00 0.83 C ATOM 80 O TRP A 7 4.217 -4.474 3.478 1.00 0.84 O ATOM 81 CB TRP A 7 7.246 -5.495 4.196 1.00 1.12 C ATOM 82 CG TRP A 7 7.150 -4.275 5.072 1.00 1.19 C ATOM 83 CD1 TRP A 7 6.726 -4.297 6.357 1.00 1.21 C ATOM 84 CD2 TRP A 7 7.525 -2.880 4.809 1.00 1.35 C ATOM 85 NE1 TRP A 7 6.815 -3.034 6.908 1.00 1.31 N ATOM 86 CE2 TRP A 7 7.280 -2.115 5.990 1.00 1.41 C ATOM 87 CE3 TRP A 7 8.056 -2.176 3.706 1.00 1.55 C ATOM 88 CZ2 TRP A 7 7.504 -0.729 6.060 1.00 1.63 C ATOM 89 CZ3 TRP A 7 8.277 -0.787 3.758 1.00 1.79 C ATOM 90 CH2 TRP A 7 8.003 -0.061 4.928 1.00 1.82 C ATOM 0 H TRP A 7 5.925 -3.875 1.922 1.00 0.97 H new ATOM 0 HA TRP A 7 6.415 -6.605 2.534 1.00 0.95 H new ATOM 0 HB2 TRP A 7 7.104 -6.369 4.831 1.00 1.12 H new ATOM 0 HB3 TRP A 7 8.264 -5.544 3.809 1.00 1.12 H new ATOM 0 HD1 TRP A 7 6.370 -5.175 6.876 1.00 1.21 H new ATOM 0 HE1 TRP A 7 6.568 -2.809 7.872 1.00 1.31 H new ATOM 0 HE3 TRP A 7 8.298 -2.716 2.802 1.00 1.55 H new ATOM 0 HZ2 TRP A 7 7.296 -0.185 6.970 1.00 1.63 H new ATOM 0 HZ3 TRP A 7 8.661 -0.274 2.889 1.00 1.79 H new ATOM 0 HH2 TRP A 7 8.175 1.005 4.958 1.00 1.82 H new ATOM 101 N VAL A 8 4.282 -6.646 4.004 1.00 0.84 N ATOM 102 CA VAL A 8 2.984 -6.693 4.697 1.00 0.84 C ATOM 103 C VAL A 8 3.228 -6.792 6.200 1.00 0.98 C ATOM 104 O VAL A 8 4.006 -7.634 6.652 1.00 1.04 O ATOM 105 CB VAL A 8 2.106 -7.865 4.199 1.00 0.89 C ATOM 106 CG1 VAL A 8 0.762 -7.932 4.947 1.00 0.99 C ATOM 107 CG2 VAL A 8 1.838 -7.693 2.695 1.00 0.85 C ATOM 0 H VAL A 8 4.740 -7.556 3.955 1.00 0.84 H new ATOM 0 HA VAL A 8 2.435 -5.778 4.474 1.00 0.84 H new ATOM 0 HB VAL A 8 2.645 -8.793 4.391 1.00 0.89 H new ATOM 0 HG11 VAL A 8 0.176 -8.769 4.567 1.00 0.99 H new ATOM 0 HG12 VAL A 8 0.945 -8.071 6.012 1.00 0.99 H new ATOM 0 HG13 VAL A 8 0.212 -7.004 4.792 1.00 0.99 H new ATOM 0 HG21 VAL A 8 1.219 -8.517 2.339 1.00 0.85 H new ATOM 0 HG22 VAL A 8 1.320 -6.750 2.523 1.00 0.85 H new ATOM 0 HG23 VAL A 8 2.785 -7.690 2.155 1.00 0.85 H new ATOM 117 N ARG A 9 2.552 -5.942 6.979 1.00 1.04 N ATOM 118 CA ARG A 9 2.697 -5.930 8.431 1.00 1.05 C ATOM 119 C ARG A 9 1.909 -7.081 9.064 1.00 1.08 C ATOM 120 O ARG A 9 0.677 -7.093 9.023 1.00 1.55 O ATOM 121 CB ARG A 9 2.259 -4.566 9.001 1.00 1.14 C ATOM 122 CG ARG A 9 3.240 -4.134 10.099 1.00 1.90 C ATOM 123 CD ARG A 9 2.870 -2.826 10.809 1.00 2.61 C ATOM 124 NE ARG A 9 1.553 -2.895 11.460 1.00 2.33 N ATOM 125 CZ ARG A 9 1.252 -3.616 12.534 1.00 2.67 C ATOM 126 NH1 ARG A 9 2.160 -4.257 13.240 1.00 3.41 N ATOM 127 NH2 ARG A 9 -0.009 -3.709 12.901 1.00 3.70 N ATOM 0 H ARG A 9 1.895 -5.249 6.621 1.00 1.04 H new ATOM 0 HA ARG A 9 3.748 -6.076 8.679 1.00 1.05 H new ATOM 0 HB2 ARG A 9 2.232 -3.819 8.207 1.00 1.14 H new ATOM 0 HB3 ARG A 9 1.250 -4.636 9.407 1.00 1.14 H new ATOM 0 HG2 ARG A 9 3.306 -4.929 10.842 1.00 1.90 H new ATOM 0 HG3 ARG A 9 4.232 -4.025 9.659 1.00 1.90 H new ATOM 0 HD2 ARG A 9 3.630 -2.593 11.555 1.00 2.61 H new ATOM 0 HD3 ARG A 9 2.873 -2.010 10.086 1.00 2.61 H new ATOM 0 HE ARG A 9 0.803 -2.339 11.050 1.00 2.33 H new ATOM 0 HH11 ARG A 9 3.142 -4.212 12.969 1.00 3.41 H new ATOM 0 HH12 ARG A 9 1.881 -4.799 14.058 1.00 3.41 H new ATOM 0 HH21 ARG A 9 -0.733 -3.232 12.363 1.00 3.70 H new ATOM 0 HH22 ARG A 9 -0.262 -4.258 13.723 1.00 3.70 H new ATOM 141 N PHE A 10 2.603 -8.016 9.711 1.00 1.15 N ATOM 142 CA PHE A 10 1.996 -9.054 10.531 1.00 1.16 C ATOM 143 C PHE A 10 1.040 -8.473 11.583 1.00 1.10 C ATOM 144 O PHE A 10 1.443 -7.733 12.480 1.00 1.45 O ATOM 145 CB PHE A 10 3.111 -9.848 11.218 1.00 1.46 C ATOM 146 CG PHE A 10 2.592 -10.835 12.240 1.00 1.43 C ATOM 147 CD1 PHE A 10 2.005 -12.030 11.800 1.00 1.96 C ATOM 148 CD2 PHE A 10 2.617 -10.530 13.614 1.00 2.32 C ATOM 149 CE1 PHE A 10 1.443 -12.925 12.725 1.00 2.29 C ATOM 150 CE2 PHE A 10 2.048 -11.420 14.542 1.00 2.30 C ATOM 151 CZ PHE A 10 1.460 -12.616 14.097 1.00 1.84 C ATOM 0 H PHE A 10 3.621 -8.071 9.677 1.00 1.15 H new ATOM 0 HA PHE A 10 1.404 -9.703 9.885 1.00 1.16 H new ATOM 0 HB2 PHE A 10 3.686 -10.384 10.463 1.00 1.46 H new ATOM 0 HB3 PHE A 10 3.795 -9.154 11.706 1.00 1.46 H new ATOM 0 HD1 PHE A 10 1.985 -12.263 10.746 1.00 1.96 H new ATOM 0 HD2 PHE A 10 3.073 -9.613 13.955 1.00 2.32 H new ATOM 0 HE1 PHE A 10 0.999 -13.848 12.384 1.00 2.29 H new ATOM 0 HE2 PHE A 10 2.063 -11.185 15.596 1.00 2.30 H new ATOM 0 HZ PHE A 10 1.021 -13.299 14.809 1.00 1.84 H new ATOM 161 N SER A 11 -0.227 -8.863 11.506 1.00 1.02 N ATOM 162 CA SER A 11 -1.255 -8.690 12.520 1.00 1.15 C ATOM 163 C SER A 11 -2.459 -9.550 12.092 1.00 1.55 C ATOM 164 O SER A 11 -3.043 -9.256 11.047 1.00 1.95 O ATOM 165 CB SER A 11 -1.641 -7.210 12.602 1.00 1.39 C ATOM 166 OG SER A 11 -0.689 -6.479 13.365 1.00 2.07 O ATOM 0 H SER A 11 -0.585 -9.340 10.678 1.00 1.02 H new ATOM 0 HA SER A 11 -0.906 -8.999 13.505 1.00 1.15 H new ATOM 0 HB2 SER A 11 -1.707 -6.791 11.598 1.00 1.39 H new ATOM 0 HB3 SER A 11 -2.628 -7.112 13.054 1.00 1.39 H new ATOM 0 HG SER A 11 0.168 -6.954 13.360 1.00 2.07 H new ATOM 172 N PRO A 12 -2.813 -10.629 12.817 1.00 1.98 N ATOM 173 CA PRO A 12 -3.895 -11.539 12.440 1.00 2.63 C ATOM 174 C PRO A 12 -5.246 -11.010 12.957 1.00 2.40 C ATOM 175 O PRO A 12 -5.967 -11.704 13.669 1.00 2.97 O ATOM 176 CB PRO A 12 -3.473 -12.884 13.044 1.00 3.44 C ATOM 177 CG PRO A 12 -2.796 -12.468 14.348 1.00 3.25 C ATOM 178 CD PRO A 12 -2.085 -11.171 13.959 1.00 2.36 C ATOM 0 HA PRO A 12 -4.045 -11.635 11.365 1.00 2.63 H new ATOM 0 HB2 PRO A 12 -4.329 -13.535 13.222 1.00 3.44 H new ATOM 0 HB3 PRO A 12 -2.791 -13.426 12.389 1.00 3.44 H new ATOM 0 HG2 PRO A 12 -3.520 -12.309 15.147 1.00 3.25 H new ATOM 0 HG3 PRO A 12 -2.094 -13.225 14.699 1.00 3.25 H new ATOM 0 HD2 PRO A 12 -2.084 -10.465 14.789 1.00 2.36 H new ATOM 0 HD3 PRO A 12 -1.043 -11.362 13.701 1.00 2.36 H new ATOM 186 N GLY A 13 -5.542 -9.737 12.673 1.00 1.88 N ATOM 187 CA GLY A 13 -6.644 -8.992 13.286 1.00 1.50 C ATOM 188 C GLY A 13 -7.915 -8.906 12.427 1.00 1.28 C ATOM 189 O GLY A 13 -7.955 -9.424 11.310 1.00 1.67 O ATOM 0 H GLY A 13 -5.012 -9.186 11.998 1.00 1.88 H new ATOM 0 HA2 GLY A 13 -6.896 -9.460 14.238 1.00 1.50 H new ATOM 0 HA3 GLY A 13 -6.302 -7.981 13.508 1.00 1.50 H new ATOM 193 N PRO A 14 -8.950 -8.191 12.916 1.00 1.09 N ATOM 194 CA PRO A 14 -10.093 -7.785 12.098 1.00 1.34 C ATOM 195 C PRO A 14 -9.685 -6.776 11.008 1.00 1.22 C ATOM 196 O PRO A 14 -10.431 -6.578 10.054 1.00 1.59 O ATOM 197 CB PRO A 14 -11.093 -7.177 13.085 1.00 1.61 C ATOM 198 CG PRO A 14 -10.199 -6.607 14.185 1.00 1.47 C ATOM 199 CD PRO A 14 -9.046 -7.607 14.249 1.00 1.19 C ATOM 0 HA PRO A 14 -10.521 -8.629 11.557 1.00 1.34 H new ATOM 0 HB2 PRO A 14 -11.699 -6.401 12.617 1.00 1.61 H new ATOM 0 HB3 PRO A 14 -11.781 -7.928 13.474 1.00 1.61 H new ATOM 0 HG2 PRO A 14 -9.849 -5.604 13.941 1.00 1.47 H new ATOM 0 HG3 PRO A 14 -10.726 -6.538 15.137 1.00 1.47 H new ATOM 0 HD2 PRO A 14 -8.115 -7.113 14.527 1.00 1.19 H new ATOM 0 HD3 PRO A 14 -9.236 -8.375 14.999 1.00 1.19 H new ATOM 207 N ASN A 15 -8.506 -6.156 11.140 1.00 0.84 N ATOM 208 CA ASN A 15 -7.861 -5.316 10.139 1.00 0.71 C ATOM 209 C ASN A 15 -6.329 -5.287 10.355 1.00 0.73 C ATOM 210 O ASN A 15 -5.828 -5.575 11.447 1.00 0.89 O ATOM 211 CB ASN A 15 -8.507 -3.920 10.113 1.00 0.91 C ATOM 212 CG ASN A 15 -8.641 -3.280 11.490 1.00 1.49 C ATOM 213 OD1 ASN A 15 -7.685 -2.763 12.045 1.00 2.16 O ATOM 214 ND2 ASN A 15 -9.817 -3.311 12.090 1.00 2.70 N ATOM 0 H ASN A 15 -7.953 -6.234 11.993 1.00 0.84 H new ATOM 0 HA ASN A 15 -8.017 -5.744 9.149 1.00 0.71 H new ATOM 0 HB2 ASN A 15 -7.912 -3.266 9.475 1.00 0.91 H new ATOM 0 HB3 ASN A 15 -9.495 -3.995 9.660 1.00 0.91 H new ATOM 0 HD21 ASN A 15 -9.927 -2.903 13.018 1.00 2.70 H new ATOM 0 HD22 ASN A 15 -10.615 -3.743 11.625 1.00 2.70 H new ATOM 221 N ALA A 16 -5.594 -4.966 9.284 1.00 0.68 N ATOM 222 CA ALA A 16 -4.128 -4.923 9.202 1.00 0.83 C ATOM 223 C ALA A 16 -3.663 -3.978 8.072 1.00 0.67 C ATOM 224 O ALA A 16 -4.493 -3.298 7.468 1.00 0.60 O ATOM 225 CB ALA A 16 -3.588 -6.355 9.058 1.00 1.18 C ATOM 0 H ALA A 16 -6.032 -4.714 8.398 1.00 0.68 H new ATOM 0 HA ALA A 16 -3.715 -4.506 10.121 1.00 0.83 H new ATOM 0 HB1 ALA A 16 -2.500 -6.329 8.997 1.00 1.18 H new ATOM 0 HB2 ALA A 16 -3.889 -6.946 9.923 1.00 1.18 H new ATOM 0 HB3 ALA A 16 -3.992 -6.807 8.152 1.00 1.18 H new ATOM 231 N ALA A 17 -2.353 -3.907 7.797 1.00 0.93 N ATOM 232 CA ALA A 17 -1.762 -2.903 6.898 1.00 0.84 C ATOM 233 C ALA A 17 -0.642 -3.465 6.010 1.00 0.82 C ATOM 234 O ALA A 17 0.139 -4.315 6.446 1.00 1.03 O ATOM 235 CB ALA A 17 -1.231 -1.729 7.734 1.00 1.01 C ATOM 0 H ALA A 17 -1.668 -4.549 8.195 1.00 0.93 H new ATOM 0 HA ALA A 17 -2.550 -2.571 6.222 1.00 0.84 H new ATOM 0 HB1 ALA A 17 -0.792 -0.981 7.074 1.00 1.01 H new ATOM 0 HB2 ALA A 17 -2.052 -1.281 8.294 1.00 1.01 H new ATOM 0 HB3 ALA A 17 -0.472 -2.090 8.428 1.00 1.01 H new ATOM 241 N ALA A 18 -0.533 -2.935 4.788 1.00 0.75 N ATOM 242 CA ALA A 18 0.473 -3.341 3.802 1.00 0.75 C ATOM 243 C ALA A 18 1.140 -2.142 3.113 1.00 0.65 C ATOM 244 O ALA A 18 0.498 -1.114 2.881 1.00 0.71 O ATOM 245 CB ALA A 18 -0.189 -4.271 2.779 1.00 0.86 C ATOM 0 H ALA A 18 -1.153 -2.199 4.450 1.00 0.75 H new ATOM 0 HA ALA A 18 1.273 -3.869 4.321 1.00 0.75 H new ATOM 0 HB1 ALA A 18 0.548 -4.581 2.039 1.00 0.86 H new ATOM 0 HB2 ALA A 18 -0.584 -5.150 3.288 1.00 0.86 H new ATOM 0 HB3 ALA A 18 -1.003 -3.744 2.281 1.00 0.86 H new ATOM 251 N TYR A 19 2.420 -2.312 2.788 1.00 0.65 N ATOM 252 CA TYR A 19 3.350 -1.323 2.234 1.00 0.71 C ATOM 253 C TYR A 19 4.018 -1.903 0.986 1.00 0.83 C ATOM 254 O TYR A 19 4.207 -3.119 0.896 1.00 0.96 O ATOM 255 CB TYR A 19 4.433 -1.040 3.285 1.00 0.71 C ATOM 256 CG TYR A 19 3.875 -0.791 4.665 1.00 0.75 C ATOM 257 CD1 TYR A 19 3.095 0.348 4.937 1.00 2.14 C ATOM 258 CD2 TYR A 19 4.064 -1.769 5.652 1.00 1.48 C ATOM 259 CE1 TYR A 19 2.495 0.499 6.203 1.00 2.30 C ATOM 260 CE2 TYR A 19 3.522 -1.602 6.931 1.00 1.41 C ATOM 261 CZ TYR A 19 2.712 -0.476 7.205 1.00 1.00 C ATOM 262 OH TYR A 19 2.133 -0.331 8.428 1.00 1.21 O ATOM 0 H TYR A 19 2.873 -3.217 2.915 1.00 0.65 H new ATOM 0 HA TYR A 19 2.816 -0.409 1.975 1.00 0.71 H new ATOM 0 HB2 TYR A 19 5.120 -1.885 3.325 1.00 0.71 H new ATOM 0 HB3 TYR A 19 5.014 -0.172 2.973 1.00 0.71 H new ATOM 0 HD1 TYR A 19 2.957 1.104 4.178 1.00 2.14 H new ATOM 0 HD2 TYR A 19 4.632 -2.658 5.423 1.00 1.48 H new ATOM 0 HE1 TYR A 19 1.871 1.357 6.408 1.00 2.30 H new ATOM 0 HE2 TYR A 19 3.721 -2.329 7.704 1.00 1.41 H new ATOM 0 HH TYR A 19 1.547 -1.096 8.605 1.00 1.21 H new ATOM 272 N LEU A 20 4.404 -1.072 0.014 1.00 0.86 N ATOM 273 CA LEU A 20 4.831 -1.614 -1.280 1.00 1.14 C ATOM 274 C LEU A 20 5.678 -0.685 -2.134 1.00 1.11 C ATOM 275 O LEU A 20 5.366 0.491 -2.317 1.00 1.09 O ATOM 276 CB LEU A 20 3.651 -2.209 -2.078 1.00 1.46 C ATOM 277 CG LEU A 20 2.474 -1.277 -2.430 1.00 1.60 C ATOM 278 CD1 LEU A 20 1.686 -1.895 -3.591 1.00 2.19 C ATOM 279 CD2 LEU A 20 1.508 -1.072 -1.247 1.00 2.07 C ATOM 0 H LEU A 20 4.430 -0.055 0.091 1.00 0.86 H new ATOM 0 HA LEU A 20 5.509 -2.424 -1.013 1.00 1.14 H new ATOM 0 HB2 LEU A 20 4.047 -2.613 -3.009 1.00 1.46 H new ATOM 0 HB3 LEU A 20 3.253 -3.050 -1.510 1.00 1.46 H new ATOM 0 HG LEU A 20 2.893 -0.306 -2.695 1.00 1.60 H new ATOM 0 HD11 LEU A 20 0.850 -1.245 -3.850 1.00 2.19 H new ATOM 0 HD12 LEU A 20 2.340 -2.007 -4.456 1.00 2.19 H new ATOM 0 HD13 LEU A 20 1.307 -2.873 -3.294 1.00 2.19 H new ATOM 0 HD21 LEU A 20 0.698 -0.408 -1.549 1.00 2.07 H new ATOM 0 HD22 LEU A 20 1.094 -2.034 -0.944 1.00 2.07 H new ATOM 0 HD23 LEU A 20 2.047 -0.629 -0.410 1.00 2.07 H new ATOM 291 N THR A 21 6.724 -1.268 -2.726 1.00 1.22 N ATOM 292 CA THR A 21 7.553 -0.602 -3.724 1.00 1.18 C ATOM 293 C THR A 21 6.915 -0.771 -5.083 1.00 1.19 C ATOM 294 O THR A 21 6.630 -1.881 -5.521 1.00 1.41 O ATOM 295 CB THR A 21 9.007 -1.070 -3.679 1.00 1.32 C ATOM 296 OG1 THR A 21 9.372 -0.831 -2.355 1.00 1.39 O ATOM 297 CG2 THR A 21 9.902 -0.192 -4.553 1.00 1.39 C ATOM 0 H THR A 21 7.018 -2.223 -2.522 1.00 1.22 H new ATOM 0 HA THR A 21 7.601 0.463 -3.498 1.00 1.18 H new ATOM 0 HB THR A 21 9.109 -2.100 -4.020 1.00 1.32 H new ATOM 0 HG1 THR A 21 10.168 -0.260 -2.333 1.00 1.39 H new ATOM 0 HG21 THR A 21 10.929 -0.552 -4.499 1.00 1.39 H new ATOM 0 HG22 THR A 21 9.557 -0.235 -5.586 1.00 1.39 H new ATOM 0 HG23 THR A 21 9.859 0.838 -4.199 1.00 1.39 H new ATOM 305 N LEU A 22 6.687 0.368 -5.725 1.00 1.12 N ATOM 306 CA LEU A 22 6.146 0.526 -7.048 1.00 1.16 C ATOM 307 C LEU A 22 7.236 1.124 -7.929 1.00 0.95 C ATOM 308 O LEU A 22 7.905 2.090 -7.541 1.00 0.93 O ATOM 309 CB LEU A 22 4.930 1.473 -6.960 1.00 1.38 C ATOM 310 CG LEU A 22 3.630 0.938 -7.561 1.00 1.55 C ATOM 311 CD1 LEU A 22 3.853 0.554 -9.024 1.00 2.13 C ATOM 312 CD2 LEU A 22 3.092 -0.241 -6.740 1.00 2.51 C ATOM 0 H LEU A 22 6.895 1.268 -5.292 1.00 1.12 H new ATOM 0 HA LEU A 22 5.823 -0.425 -7.471 1.00 1.16 H new ATOM 0 HB2 LEU A 22 4.753 1.711 -5.911 1.00 1.38 H new ATOM 0 HB3 LEU A 22 5.183 2.407 -7.461 1.00 1.38 H new ATOM 0 HG LEU A 22 2.874 1.722 -7.527 1.00 1.55 H new ATOM 0 HD11 LEU A 22 2.923 0.174 -9.446 1.00 2.13 H new ATOM 0 HD12 LEU A 22 4.174 1.431 -9.586 1.00 2.13 H new ATOM 0 HD13 LEU A 22 4.621 -0.217 -9.085 1.00 2.13 H new ATOM 0 HD21 LEU A 22 2.167 -0.604 -7.188 1.00 2.51 H new ATOM 0 HD22 LEU A 22 3.829 -1.044 -6.730 1.00 2.51 H new ATOM 0 HD23 LEU A 22 2.897 0.086 -5.719 1.00 2.51 H new ATOM 324 N GLU A 23 7.352 0.595 -9.136 1.00 1.01 N ATOM 325 CA GLU A 23 8.216 1.144 -10.169 1.00 0.98 C ATOM 326 C GLU A 23 7.577 1.014 -11.539 1.00 1.03 C ATOM 327 O GLU A 23 6.901 0.035 -11.845 1.00 1.15 O ATOM 328 CB GLU A 23 9.611 0.516 -10.132 1.00 1.22 C ATOM 329 CG GLU A 23 9.710 -0.973 -10.483 1.00 1.48 C ATOM 330 CD GLU A 23 11.162 -1.389 -10.297 1.00 1.98 C ATOM 331 OE1 GLU A 23 11.595 -1.494 -9.131 1.00 2.16 O ATOM 332 OE2 GLU A 23 11.917 -1.440 -11.293 1.00 3.09 O ATOM 0 H GLU A 23 6.842 -0.238 -9.430 1.00 1.01 H new ATOM 0 HA GLU A 23 8.342 2.207 -9.964 1.00 0.98 H new ATOM 0 HB2 GLU A 23 10.251 1.070 -10.819 1.00 1.22 H new ATOM 0 HB3 GLU A 23 10.020 0.657 -9.132 1.00 1.22 H new ATOM 0 HG2 GLU A 23 9.056 -1.563 -9.841 1.00 1.48 H new ATOM 0 HG3 GLU A 23 9.389 -1.147 -11.510 1.00 1.48 H new ATOM 339 N ASN A 24 7.798 2.030 -12.360 1.00 1.03 N ATOM 340 CA ASN A 24 7.277 2.098 -13.709 1.00 1.02 C ATOM 341 C ASN A 24 8.441 1.987 -14.705 1.00 1.09 C ATOM 342 O ASN A 24 9.199 2.946 -14.854 1.00 1.14 O ATOM 343 CB ASN A 24 6.507 3.413 -13.831 1.00 0.97 C ATOM 344 CG ASN A 24 5.755 3.490 -15.144 1.00 1.00 C ATOM 345 OD1 ASN A 24 6.055 2.806 -16.111 1.00 0.99 O ATOM 346 ND2 ASN A 24 4.736 4.316 -15.198 1.00 1.28 N ATOM 0 H ASN A 24 8.355 2.843 -12.098 1.00 1.03 H new ATOM 0 HA ASN A 24 6.597 1.277 -13.935 1.00 1.02 H new ATOM 0 HB2 ASN A 24 5.806 3.505 -13.002 1.00 0.97 H new ATOM 0 HB3 ASN A 24 7.200 4.251 -13.756 1.00 0.97 H new ATOM 0 HD21 ASN A 24 4.186 4.392 -16.053 1.00 1.28 H new ATOM 0 HD22 ASN A 24 4.495 4.882 -14.385 1.00 1.28 H new ATOM 353 N PRO A 25 8.618 0.840 -15.380 1.00 1.14 N ATOM 354 CA PRO A 25 9.689 0.652 -16.355 1.00 1.20 C ATOM 355 C PRO A 25 9.345 1.166 -17.762 1.00 1.27 C ATOM 356 O PRO A 25 10.216 1.134 -18.631 1.00 1.42 O ATOM 357 CB PRO A 25 9.927 -0.863 -16.360 1.00 1.23 C ATOM 358 CG PRO A 25 8.527 -1.421 -16.101 1.00 1.22 C ATOM 359 CD PRO A 25 7.944 -0.422 -15.109 1.00 1.14 C ATOM 0 HA PRO A 25 10.571 1.229 -16.079 1.00 1.20 H new ATOM 0 HB2 PRO A 25 10.331 -1.207 -17.312 1.00 1.23 H new ATOM 0 HB3 PRO A 25 10.633 -1.165 -15.587 1.00 1.23 H new ATOM 0 HG2 PRO A 25 7.937 -1.474 -17.016 1.00 1.22 H new ATOM 0 HG3 PRO A 25 8.563 -2.428 -15.687 1.00 1.22 H new ATOM 0 HD2 PRO A 25 6.866 -0.326 -15.238 1.00 1.14 H new ATOM 0 HD3 PRO A 25 8.115 -0.745 -14.082 1.00 1.14 H new ATOM 367 N GLY A 26 8.110 1.624 -18.007 1.00 1.22 N ATOM 368 CA GLY A 26 7.655 2.127 -19.310 1.00 1.26 C ATOM 369 C GLY A 26 7.774 3.643 -19.446 1.00 1.20 C ATOM 370 O GLY A 26 8.315 4.322 -18.575 1.00 1.20 O ATOM 0 H GLY A 26 7.385 1.656 -17.290 1.00 1.22 H new ATOM 0 HA2 GLY A 26 8.237 1.651 -20.099 1.00 1.26 H new ATOM 0 HA3 GLY A 26 6.616 1.836 -19.461 1.00 1.26 H new ATOM 374 N ASP A 27 7.266 4.165 -20.564 1.00 1.21 N ATOM 375 CA ASP A 27 7.287 5.593 -20.931 1.00 1.24 C ATOM 376 C ASP A 27 5.907 6.279 -20.810 1.00 1.39 C ATOM 377 O ASP A 27 5.738 7.431 -21.202 1.00 1.61 O ATOM 378 CB ASP A 27 7.912 5.731 -22.328 1.00 1.21 C ATOM 379 CG ASP A 27 9.407 5.424 -22.246 1.00 1.48 C ATOM 380 OD1 ASP A 27 10.180 6.317 -21.828 1.00 2.19 O ATOM 381 OD2 ASP A 27 9.803 4.253 -22.453 1.00 2.40 O ATOM 0 H ASP A 27 6.810 3.587 -21.270 1.00 1.21 H new ATOM 0 HA ASP A 27 7.905 6.130 -20.212 1.00 1.24 H new ATOM 0 HB2 ASP A 27 7.427 5.048 -23.025 1.00 1.21 H new ATOM 0 HB3 ASP A 27 7.757 6.740 -22.710 1.00 1.21 H new ATOM 386 N LEU A 28 4.922 5.586 -20.226 1.00 1.34 N ATOM 387 CA LEU A 28 3.587 6.102 -19.898 1.00 1.50 C ATOM 388 C LEU A 28 3.300 5.951 -18.387 1.00 1.43 C ATOM 389 O LEU A 28 3.944 5.124 -17.744 1.00 1.32 O ATOM 390 CB LEU A 28 2.567 5.403 -20.821 1.00 1.68 C ATOM 391 CG LEU A 28 2.350 3.889 -20.600 1.00 1.80 C ATOM 392 CD1 LEU A 28 1.351 3.595 -19.468 1.00 2.22 C ATOM 393 CD2 LEU A 28 1.803 3.266 -21.894 1.00 2.08 C ATOM 0 H LEU A 28 5.038 4.609 -19.958 1.00 1.34 H new ATOM 0 HA LEU A 28 3.513 7.174 -20.084 1.00 1.50 H new ATOM 0 HB2 LEU A 28 1.606 5.904 -20.706 1.00 1.68 H new ATOM 0 HB3 LEU A 28 2.884 5.554 -21.853 1.00 1.68 H new ATOM 0 HG LEU A 28 3.314 3.462 -20.323 1.00 1.80 H new ATOM 0 HD11 LEU A 28 1.236 2.517 -19.355 1.00 2.22 H new ATOM 0 HD12 LEU A 28 1.723 4.020 -18.535 1.00 2.22 H new ATOM 0 HD13 LEU A 28 0.386 4.040 -19.710 1.00 2.22 H new ATOM 0 HD21 LEU A 28 1.647 2.197 -21.746 1.00 2.08 H new ATOM 0 HD22 LEU A 28 0.855 3.738 -22.153 1.00 2.08 H new ATOM 0 HD23 LEU A 28 2.518 3.420 -22.702 1.00 2.08 H new ATOM 405 N PRO A 29 2.372 6.722 -17.783 1.00 1.52 N ATOM 406 CA PRO A 29 2.206 6.789 -16.330 1.00 1.42 C ATOM 407 C PRO A 29 1.321 5.652 -15.782 1.00 1.37 C ATOM 408 O PRO A 29 0.485 5.099 -16.495 1.00 1.48 O ATOM 409 CB PRO A 29 1.579 8.161 -16.073 1.00 1.51 C ATOM 410 CG PRO A 29 0.711 8.374 -17.314 1.00 1.69 C ATOM 411 CD PRO A 29 1.485 7.673 -18.435 1.00 1.70 C ATOM 0 HA PRO A 29 3.159 6.665 -15.816 1.00 1.42 H new ATOM 0 HB2 PRO A 29 0.986 8.170 -15.158 1.00 1.51 H new ATOM 0 HB3 PRO A 29 2.336 8.939 -15.970 1.00 1.51 H new ATOM 0 HG2 PRO A 29 -0.282 7.943 -17.185 1.00 1.69 H new ATOM 0 HG3 PRO A 29 0.573 9.434 -17.527 1.00 1.69 H new ATOM 0 HD2 PRO A 29 0.805 7.165 -19.119 1.00 1.70 H new ATOM 0 HD3 PRO A 29 2.052 8.393 -19.025 1.00 1.70 H new ATOM 419 N LEU A 30 1.479 5.335 -14.489 1.00 1.23 N ATOM 420 CA LEU A 30 0.772 4.266 -13.769 1.00 1.22 C ATOM 421 C LEU A 30 0.050 4.843 -12.552 1.00 1.25 C ATOM 422 O LEU A 30 0.678 5.255 -11.582 1.00 1.65 O ATOM 423 CB LEU A 30 1.769 3.188 -13.325 1.00 1.21 C ATOM 424 CG LEU A 30 1.616 1.837 -14.041 1.00 1.67 C ATOM 425 CD1 LEU A 30 1.669 1.903 -15.567 1.00 2.50 C ATOM 426 CD2 LEU A 30 2.709 0.886 -13.558 1.00 2.17 C ATOM 0 H LEU A 30 2.132 5.839 -13.890 1.00 1.23 H new ATOM 0 HA LEU A 30 0.036 3.816 -14.435 1.00 1.22 H new ATOM 0 HB2 LEU A 30 2.781 3.558 -13.490 1.00 1.21 H new ATOM 0 HB3 LEU A 30 1.658 3.030 -12.252 1.00 1.21 H new ATOM 0 HG LEU A 30 0.616 1.485 -13.787 1.00 1.67 H new ATOM 0 HD11 LEU A 30 1.552 0.901 -15.979 1.00 2.50 H new ATOM 0 HD12 LEU A 30 0.864 2.541 -15.932 1.00 2.50 H new ATOM 0 HD13 LEU A 30 2.629 2.314 -15.880 1.00 2.50 H new ATOM 0 HD21 LEU A 30 2.605 -0.074 -14.063 1.00 2.17 H new ATOM 0 HD22 LEU A 30 3.687 1.311 -13.784 1.00 2.17 H new ATOM 0 HD23 LEU A 30 2.616 0.742 -12.482 1.00 2.17 H new ATOM 438 N ARG A 31 -1.275 4.822 -12.607 1.00 0.92 N ATOM 439 CA ARG A 31 -2.179 5.378 -11.579 1.00 0.77 C ATOM 440 C ARG A 31 -2.909 4.298 -10.790 1.00 0.72 C ATOM 441 O ARG A 31 -3.866 3.712 -11.280 1.00 0.82 O ATOM 442 CB ARG A 31 -3.117 6.418 -12.209 1.00 0.65 C ATOM 443 CG ARG A 31 -4.232 6.913 -11.267 1.00 0.81 C ATOM 444 CD ARG A 31 -4.878 8.229 -11.713 1.00 0.84 C ATOM 445 NE ARG A 31 -5.294 8.197 -13.126 1.00 2.22 N ATOM 446 CZ ARG A 31 -4.664 8.788 -14.137 1.00 2.54 C ATOM 447 NH1 ARG A 31 -3.593 9.537 -13.991 1.00 2.29 N ATOM 448 NH2 ARG A 31 -5.117 8.615 -15.359 1.00 4.13 N ATOM 0 H ARG A 31 -1.778 4.406 -13.390 1.00 0.92 H new ATOM 0 HA ARG A 31 -1.574 5.894 -10.834 1.00 0.77 H new ATOM 0 HB2 ARG A 31 -2.526 7.274 -12.536 1.00 0.65 H new ATOM 0 HB3 ARG A 31 -3.574 5.987 -13.100 1.00 0.65 H new ATOM 0 HG2 ARG A 31 -5.003 6.146 -11.197 1.00 0.81 H new ATOM 0 HG3 ARG A 31 -3.819 7.042 -10.267 1.00 0.81 H new ATOM 0 HD2 ARG A 31 -5.745 8.436 -11.086 1.00 0.84 H new ATOM 0 HD3 ARG A 31 -4.173 9.047 -11.563 1.00 0.84 H new ATOM 0 HE ARG A 31 -6.141 7.675 -13.349 1.00 2.22 H new ATOM 0 HH11 ARG A 31 -3.201 9.691 -13.062 1.00 2.29 H new ATOM 0 HH12 ARG A 31 -3.154 9.964 -14.807 1.00 2.29 H new ATOM 0 HH21 ARG A 31 -5.940 8.035 -15.520 1.00 4.13 H new ATOM 0 HH22 ARG A 31 -4.645 9.061 -16.146 1.00 4.13 H new ATOM 462 N LEU A 32 -2.424 4.025 -9.580 1.00 0.70 N ATOM 463 CA LEU A 32 -2.853 2.963 -8.673 1.00 0.68 C ATOM 464 C LEU A 32 -4.124 3.402 -7.928 1.00 0.58 C ATOM 465 O LEU A 32 -4.066 4.238 -7.029 1.00 0.63 O ATOM 466 CB LEU A 32 -1.661 2.671 -7.740 1.00 0.75 C ATOM 467 CG LEU A 32 -1.886 1.582 -6.669 1.00 0.77 C ATOM 468 CD1 LEU A 32 -2.000 0.195 -7.312 1.00 0.98 C ATOM 469 CD2 LEU A 32 -0.708 1.581 -5.682 1.00 0.88 C ATOM 0 H LEU A 32 -1.667 4.580 -9.180 1.00 0.70 H new ATOM 0 HA LEU A 32 -3.121 2.045 -9.196 1.00 0.68 H new ATOM 0 HB2 LEU A 32 -0.809 2.378 -8.354 1.00 0.75 H new ATOM 0 HB3 LEU A 32 -1.386 3.597 -7.235 1.00 0.75 H new ATOM 0 HG LEU A 32 -2.816 1.804 -6.146 1.00 0.77 H new ATOM 0 HD11 LEU A 32 -2.158 -0.554 -6.536 1.00 0.98 H new ATOM 0 HD12 LEU A 32 -2.842 0.183 -8.005 1.00 0.98 H new ATOM 0 HD13 LEU A 32 -1.081 -0.032 -7.853 1.00 0.98 H new ATOM 0 HD21 LEU A 32 -0.867 0.812 -4.926 1.00 0.88 H new ATOM 0 HD22 LEU A 32 0.217 1.375 -6.220 1.00 0.88 H new ATOM 0 HD23 LEU A 32 -0.637 2.556 -5.199 1.00 0.88 H new ATOM 481 N VAL A 33 -5.263 2.823 -8.308 1.00 0.55 N ATOM 482 CA VAL A 33 -6.603 3.139 -7.770 1.00 0.54 C ATOM 483 C VAL A 33 -7.043 2.182 -6.647 1.00 0.55 C ATOM 484 O VAL A 33 -8.004 2.464 -5.938 1.00 0.55 O ATOM 485 CB VAL A 33 -7.688 3.175 -8.879 1.00 0.61 C ATOM 486 CG1 VAL A 33 -7.391 4.279 -9.910 1.00 0.66 C ATOM 487 CG2 VAL A 33 -7.860 1.850 -9.643 1.00 0.69 C ATOM 0 H VAL A 33 -5.288 2.095 -9.022 1.00 0.55 H new ATOM 0 HA VAL A 33 -6.507 4.136 -7.341 1.00 0.54 H new ATOM 0 HB VAL A 33 -8.616 3.373 -8.342 1.00 0.61 H new ATOM 0 HG11 VAL A 33 -8.167 4.281 -10.675 1.00 0.66 H new ATOM 0 HG12 VAL A 33 -7.371 5.248 -9.410 1.00 0.66 H new ATOM 0 HG13 VAL A 33 -6.423 4.091 -10.376 1.00 0.66 H new ATOM 0 HG21 VAL A 33 -8.637 1.964 -10.399 1.00 0.69 H new ATOM 0 HG22 VAL A 33 -6.920 1.584 -10.127 1.00 0.69 H new ATOM 0 HG23 VAL A 33 -8.145 1.062 -8.946 1.00 0.69 H new ATOM 497 N GLY A 34 -6.354 1.042 -6.490 1.00 0.59 N ATOM 498 CA GLY A 34 -6.652 0.033 -5.473 1.00 0.65 C ATOM 499 C GLY A 34 -5.749 -1.189 -5.612 1.00 0.70 C ATOM 500 O GLY A 34 -4.724 -1.135 -6.290 1.00 0.67 O ATOM 0 H GLY A 34 -5.559 0.795 -7.080 1.00 0.59 H new ATOM 0 HA2 GLY A 34 -6.527 0.467 -4.481 1.00 0.65 H new ATOM 0 HA3 GLY A 34 -7.695 -0.273 -5.558 1.00 0.65 H new ATOM 504 N ALA A 35 -6.136 -2.307 -5.010 1.00 0.79 N ATOM 505 CA ALA A 35 -5.412 -3.572 -5.107 1.00 0.75 C ATOM 506 C ALA A 35 -6.363 -4.771 -4.950 1.00 0.82 C ATOM 507 O ALA A 35 -7.575 -4.568 -4.912 1.00 1.10 O ATOM 508 CB ALA A 35 -4.289 -3.541 -4.064 1.00 0.88 C ATOM 0 H ALA A 35 -6.974 -2.363 -4.431 1.00 0.79 H new ATOM 0 HA ALA A 35 -4.968 -3.696 -6.095 1.00 0.75 H new ATOM 0 HB1 ALA A 35 -3.726 -4.473 -4.108 1.00 0.88 H new ATOM 0 HB2 ALA A 35 -3.622 -2.704 -4.272 1.00 0.88 H new ATOM 0 HB3 ALA A 35 -4.719 -3.424 -3.069 1.00 0.88 H new ATOM 514 N ARG A 36 -5.841 -6.001 -4.824 1.00 0.69 N ATOM 515 CA ARG A 36 -6.609 -7.176 -4.375 1.00 0.66 C ATOM 516 C ARG A 36 -5.632 -8.298 -4.059 1.00 0.61 C ATOM 517 O ARG A 36 -4.705 -8.511 -4.835 1.00 0.84 O ATOM 518 CB ARG A 36 -7.707 -7.602 -5.382 1.00 0.96 C ATOM 519 CG ARG A 36 -7.169 -7.973 -6.770 1.00 1.42 C ATOM 520 CD ARG A 36 -8.264 -8.155 -7.827 1.00 2.50 C ATOM 521 NE ARG A 36 -7.685 -8.626 -9.098 1.00 3.91 N ATOM 522 CZ ARG A 36 -8.298 -8.783 -10.262 1.00 4.94 C ATOM 523 NH1 ARG A 36 -9.561 -8.452 -10.450 1.00 5.11 N ATOM 524 NH2 ARG A 36 -7.607 -9.301 -11.252 1.00 6.36 N ATOM 0 H ARG A 36 -4.865 -6.211 -5.033 1.00 0.69 H new ATOM 0 HA ARG A 36 -7.160 -6.915 -3.471 1.00 0.66 H new ATOM 0 HB2 ARG A 36 -8.249 -8.455 -4.974 1.00 0.96 H new ATOM 0 HB3 ARG A 36 -8.425 -6.789 -5.487 1.00 0.96 H new ATOM 0 HG2 ARG A 36 -6.481 -7.196 -7.103 1.00 1.42 H new ATOM 0 HG3 ARG A 36 -6.594 -8.896 -6.692 1.00 1.42 H new ATOM 0 HD2 ARG A 36 -9.005 -8.871 -7.471 1.00 2.50 H new ATOM 0 HD3 ARG A 36 -8.784 -7.210 -7.986 1.00 2.50 H new ATOM 0 HE ARG A 36 -6.692 -8.859 -9.079 1.00 3.91 H new ATOM 0 HH11 ARG A 36 -10.105 -8.058 -9.682 1.00 5.11 H new ATOM 0 HH12 ARG A 36 -9.994 -8.590 -11.363 1.00 5.11 H new ATOM 0 HH21 ARG A 36 -6.633 -9.567 -11.110 1.00 6.36 H new ATOM 0 HH22 ARG A 36 -8.045 -9.437 -12.163 1.00 6.36 H new ATOM 538 N THR A 37 -5.792 -8.997 -2.936 1.00 0.46 N ATOM 539 CA THR A 37 -4.882 -10.061 -2.489 1.00 0.49 C ATOM 540 C THR A 37 -5.714 -11.246 -1.991 1.00 0.54 C ATOM 541 O THR A 37 -6.742 -10.995 -1.358 1.00 0.67 O ATOM 542 CB THR A 37 -3.908 -9.543 -1.423 1.00 0.60 C ATOM 543 OG1 THR A 37 -3.173 -10.641 -0.967 1.00 0.73 O ATOM 544 CG2 THR A 37 -4.546 -8.901 -0.196 1.00 0.67 C ATOM 0 H THR A 37 -6.571 -8.840 -2.297 1.00 0.46 H new ATOM 0 HA THR A 37 -4.267 -10.396 -3.324 1.00 0.49 H new ATOM 0 HB THR A 37 -3.322 -8.762 -1.908 1.00 0.60 H new ATOM 0 HG1 THR A 37 -2.389 -10.770 -1.540 1.00 0.73 H new ATOM 0 HG21 THR A 37 -3.765 -8.572 0.490 1.00 0.67 H new ATOM 0 HG22 THR A 37 -5.144 -8.043 -0.504 1.00 0.67 H new ATOM 0 HG23 THR A 37 -5.185 -9.628 0.304 1.00 0.67 H new ATOM 552 N PRO A 38 -5.304 -12.515 -2.212 1.00 0.68 N ATOM 553 CA PRO A 38 -6.033 -13.679 -1.708 1.00 0.80 C ATOM 554 C PRO A 38 -6.026 -13.778 -0.184 1.00 0.91 C ATOM 555 O PRO A 38 -6.887 -14.444 0.381 1.00 1.04 O ATOM 556 CB PRO A 38 -5.336 -14.889 -2.327 1.00 0.99 C ATOM 557 CG PRO A 38 -3.903 -14.418 -2.549 1.00 1.01 C ATOM 558 CD PRO A 38 -4.109 -12.955 -2.926 1.00 0.84 C ATOM 0 HA PRO A 38 -7.086 -13.612 -1.980 1.00 0.80 H new ATOM 0 HB2 PRO A 38 -5.374 -15.753 -1.664 1.00 0.99 H new ATOM 0 HB3 PRO A 38 -5.808 -15.185 -3.264 1.00 0.99 H new ATOM 0 HG2 PRO A 38 -3.293 -14.527 -1.652 1.00 1.01 H new ATOM 0 HG3 PRO A 38 -3.407 -14.978 -3.341 1.00 1.01 H new ATOM 0 HD2 PRO A 38 -3.244 -12.355 -2.644 1.00 0.84 H new ATOM 0 HD3 PRO A 38 -4.236 -12.845 -4.003 1.00 0.84 H new ATOM 566 N VAL A 39 -5.079 -13.107 0.481 1.00 0.95 N ATOM 567 CA VAL A 39 -5.010 -13.075 1.954 1.00 1.01 C ATOM 568 C VAL A 39 -6.040 -12.122 2.591 1.00 1.02 C ATOM 569 O VAL A 39 -6.043 -11.981 3.813 1.00 1.10 O ATOM 570 CB VAL A 39 -3.574 -12.818 2.487 1.00 1.02 C ATOM 571 CG1 VAL A 39 -2.548 -13.639 1.682 1.00 1.09 C ATOM 572 CG2 VAL A 39 -3.163 -11.336 2.507 1.00 0.91 C ATOM 0 H VAL A 39 -4.342 -12.573 0.021 1.00 0.95 H new ATOM 0 HA VAL A 39 -5.286 -14.080 2.273 1.00 1.01 H new ATOM 0 HB VAL A 39 -3.584 -13.142 3.528 1.00 1.02 H new ATOM 0 HG11 VAL A 39 -1.546 -13.448 2.067 1.00 1.09 H new ATOM 0 HG12 VAL A 39 -2.777 -14.701 1.776 1.00 1.09 H new ATOM 0 HG13 VAL A 39 -2.594 -13.350 0.632 1.00 1.09 H new ATOM 0 HG21 VAL A 39 -2.148 -11.245 2.893 1.00 0.91 H new ATOM 0 HG22 VAL A 39 -3.204 -10.933 1.495 1.00 0.91 H new ATOM 0 HG23 VAL A 39 -3.846 -10.778 3.148 1.00 0.91 H new ATOM 582 N ALA A 40 -6.925 -11.477 1.808 1.00 1.01 N ATOM 583 CA ALA A 40 -7.814 -10.417 2.301 1.00 0.99 C ATOM 584 C ALA A 40 -9.178 -10.313 1.579 1.00 0.96 C ATOM 585 O ALA A 40 -9.650 -11.242 0.920 1.00 1.40 O ATOM 586 CB ALA A 40 -7.034 -9.085 2.275 1.00 1.11 C ATOM 0 H ALA A 40 -7.041 -11.679 0.815 1.00 1.01 H new ATOM 0 HA ALA A 40 -8.099 -10.676 3.321 1.00 0.99 H new ATOM 0 HB1 ALA A 40 -7.675 -8.281 2.637 1.00 1.11 H new ATOM 0 HB2 ALA A 40 -6.155 -9.165 2.915 1.00 1.11 H new ATOM 0 HB3 ALA A 40 -6.721 -8.867 1.254 1.00 1.11 H new ATOM 592 N GLU A 41 -9.848 -9.179 1.768 1.00 1.06 N ATOM 593 CA GLU A 41 -11.100 -8.814 1.121 1.00 1.12 C ATOM 594 C GLU A 41 -10.995 -7.387 0.564 1.00 1.17 C ATOM 595 O GLU A 41 -10.567 -7.199 -0.574 1.00 1.47 O ATOM 596 CB GLU A 41 -12.247 -8.996 2.123 1.00 1.16 C ATOM 597 CG GLU A 41 -13.602 -8.750 1.453 1.00 1.42 C ATOM 598 CD GLU A 41 -14.694 -9.618 2.061 1.00 2.01 C ATOM 599 OE1 GLU A 41 -14.486 -10.851 2.021 1.00 2.56 O ATOM 600 OE2 GLU A 41 -15.682 -9.042 2.571 1.00 3.57 O ATOM 0 H GLU A 41 -9.515 -8.457 2.407 1.00 1.06 H new ATOM 0 HA GLU A 41 -11.309 -9.462 0.270 1.00 1.12 H new ATOM 0 HB2 GLU A 41 -12.218 -10.005 2.535 1.00 1.16 H new ATOM 0 HB3 GLU A 41 -12.119 -8.307 2.958 1.00 1.16 H new ATOM 0 HG2 GLU A 41 -13.873 -7.699 1.554 1.00 1.42 H new ATOM 0 HG3 GLU A 41 -13.524 -8.957 0.386 1.00 1.42 H new ATOM 607 N ARG A 42 -11.342 -6.393 1.387 1.00 1.02 N ATOM 608 CA ARG A 42 -11.191 -4.968 1.112 1.00 1.02 C ATOM 609 C ARG A 42 -9.746 -4.514 1.334 1.00 0.94 C ATOM 610 O ARG A 42 -8.986 -5.158 2.062 1.00 1.45 O ATOM 611 CB ARG A 42 -12.146 -4.222 2.038 1.00 1.09 C ATOM 612 CG ARG A 42 -13.554 -4.079 1.445 1.00 1.84 C ATOM 613 CD ARG A 42 -14.553 -3.681 2.538 1.00 2.23 C ATOM 614 NE ARG A 42 -14.720 -4.768 3.521 1.00 3.36 N ATOM 615 CZ ARG A 42 -15.291 -5.950 3.324 1.00 5.23 C ATOM 616 NH1 ARG A 42 -16.041 -6.243 2.284 1.00 6.32 N ATOM 617 NH2 ARG A 42 -15.068 -6.919 4.174 1.00 6.70 N ATOM 0 H ARG A 42 -11.754 -6.572 2.303 1.00 1.02 H new ATOM 0 HA ARG A 42 -11.428 -4.756 0.069 1.00 1.02 H new ATOM 0 HB2 ARG A 42 -12.209 -4.749 2.990 1.00 1.09 H new ATOM 0 HB3 ARG A 42 -11.742 -3.232 2.248 1.00 1.09 H new ATOM 0 HG2 ARG A 42 -13.549 -3.327 0.656 1.00 1.84 H new ATOM 0 HG3 ARG A 42 -13.861 -5.020 0.987 1.00 1.84 H new ATOM 0 HD2 ARG A 42 -14.206 -2.779 3.043 1.00 2.23 H new ATOM 0 HD3 ARG A 42 -15.516 -3.443 2.087 1.00 2.23 H new ATOM 0 HE ARG A 42 -14.356 -4.592 4.457 1.00 3.36 H new ATOM 0 HH11 ARG A 42 -16.214 -5.540 1.566 1.00 6.32 H new ATOM 0 HH12 ARG A 42 -16.449 -7.173 2.196 1.00 6.32 H new ATOM 0 HH21 ARG A 42 -14.461 -6.762 4.978 1.00 6.70 H new ATOM 0 HH22 ARG A 42 -15.502 -7.831 4.033 1.00 6.70 H new ATOM 631 N VAL A 43 -9.388 -3.392 0.723 1.00 0.86 N ATOM 632 CA VAL A 43 -8.014 -2.979 0.404 1.00 0.81 C ATOM 633 C VAL A 43 -8.029 -1.546 -0.143 1.00 1.05 C ATOM 634 O VAL A 43 -7.909 -1.246 -1.330 1.00 2.00 O ATOM 635 CB VAL A 43 -7.282 -4.010 -0.477 1.00 0.90 C ATOM 636 CG1 VAL A 43 -7.994 -4.262 -1.807 1.00 1.15 C ATOM 637 CG2 VAL A 43 -5.818 -3.613 -0.681 1.00 1.09 C ATOM 0 H VAL A 43 -10.078 -2.706 0.418 1.00 0.86 H new ATOM 0 HA VAL A 43 -7.413 -2.959 1.313 1.00 0.81 H new ATOM 0 HB VAL A 43 -7.302 -4.959 0.059 1.00 0.90 H new ATOM 0 HG11 VAL A 43 -7.434 -4.996 -2.386 1.00 1.15 H new ATOM 0 HG12 VAL A 43 -8.998 -4.640 -1.616 1.00 1.15 H new ATOM 0 HG13 VAL A 43 -8.058 -3.330 -2.368 1.00 1.15 H new ATOM 0 HG21 VAL A 43 -5.323 -4.356 -1.306 1.00 1.09 H new ATOM 0 HG22 VAL A 43 -5.770 -2.639 -1.168 1.00 1.09 H new ATOM 0 HG23 VAL A 43 -5.317 -3.560 0.286 1.00 1.09 H new ATOM 647 N GLU A 44 -8.244 -0.655 0.809 1.00 0.56 N ATOM 648 CA GLU A 44 -8.494 0.773 0.617 1.00 0.60 C ATOM 649 C GLU A 44 -7.189 1.566 0.783 1.00 0.68 C ATOM 650 O GLU A 44 -6.556 1.513 1.843 1.00 0.89 O ATOM 651 CB GLU A 44 -9.572 1.256 1.608 1.00 0.80 C ATOM 652 CG GLU A 44 -11.016 0.874 1.225 1.00 1.13 C ATOM 653 CD GLU A 44 -11.404 -0.575 1.535 1.00 2.64 C ATOM 654 OE1 GLU A 44 -11.901 -0.830 2.657 1.00 2.88 O ATOM 655 OE2 GLU A 44 -11.244 -1.444 0.645 1.00 4.52 O ATOM 0 H GLU A 44 -8.250 -0.918 1.794 1.00 0.56 H new ATOM 0 HA GLU A 44 -8.863 0.942 -0.395 1.00 0.60 H new ATOM 0 HB2 GLU A 44 -9.351 0.845 2.593 1.00 0.80 H new ATOM 0 HB3 GLU A 44 -9.508 2.341 1.693 1.00 0.80 H new ATOM 0 HG2 GLU A 44 -11.703 1.539 1.749 1.00 1.13 H new ATOM 0 HG3 GLU A 44 -11.152 1.051 0.158 1.00 1.13 H new ATOM 662 N LEU A 45 -6.765 2.295 -0.261 1.00 0.58 N ATOM 663 CA LEU A 45 -5.503 3.031 -0.255 1.00 0.54 C ATOM 664 C LEU A 45 -5.628 4.353 0.506 1.00 0.50 C ATOM 665 O LEU A 45 -6.423 5.232 0.160 1.00 0.51 O ATOM 666 CB LEU A 45 -4.999 3.216 -1.697 1.00 0.54 C ATOM 667 CG LEU A 45 -3.487 3.523 -1.757 1.00 0.56 C ATOM 668 CD1 LEU A 45 -2.878 3.042 -3.070 1.00 0.60 C ATOM 669 CD2 LEU A 45 -3.200 5.019 -1.702 1.00 0.66 C ATOM 0 H LEU A 45 -7.291 2.387 -1.130 1.00 0.58 H new ATOM 0 HA LEU A 45 -4.754 2.449 0.283 1.00 0.54 H new ATOM 0 HB2 LEU A 45 -5.207 2.312 -2.270 1.00 0.54 H new ATOM 0 HB3 LEU A 45 -5.551 4.028 -2.171 1.00 0.54 H new ATOM 0 HG LEU A 45 -3.058 3.011 -0.896 1.00 0.56 H new ATOM 0 HD11 LEU A 45 -1.813 3.272 -3.083 1.00 0.60 H new ATOM 0 HD12 LEU A 45 -3.018 1.965 -3.163 1.00 0.60 H new ATOM 0 HD13 LEU A 45 -3.368 3.545 -3.904 1.00 0.60 H new ATOM 0 HD21 LEU A 45 -2.124 5.185 -1.747 1.00 0.66 H new ATOM 0 HD22 LEU A 45 -3.679 5.513 -2.548 1.00 0.66 H new ATOM 0 HD23 LEU A 45 -3.592 5.431 -0.772 1.00 0.66 H new ATOM 681 N HIS A 46 -4.788 4.488 1.527 1.00 0.49 N ATOM 682 CA HIS A 46 -4.592 5.675 2.342 1.00 0.52 C ATOM 683 C HIS A 46 -3.251 6.360 2.047 1.00 0.53 C ATOM 684 O HIS A 46 -2.267 5.730 1.646 1.00 0.52 O ATOM 685 CB HIS A 46 -4.656 5.305 3.838 1.00 0.60 C ATOM 686 CG HIS A 46 -6.010 5.034 4.452 1.00 0.70 C ATOM 687 ND1 HIS A 46 -6.313 5.278 5.794 1.00 0.88 N ATOM 688 CD2 HIS A 46 -7.134 4.554 3.841 1.00 0.73 C ATOM 689 CE1 HIS A 46 -7.582 4.879 5.968 1.00 0.98 C ATOM 690 NE2 HIS A 46 -8.094 4.424 4.814 1.00 0.90 N ATOM 0 H HIS A 46 -4.188 3.719 1.824 1.00 0.49 H new ATOM 0 HA HIS A 46 -5.391 6.374 2.094 1.00 0.52 H new ATOM 0 HB2 HIS A 46 -4.040 4.419 3.988 1.00 0.60 H new ATOM 0 HB3 HIS A 46 -4.192 6.115 4.401 1.00 0.60 H new ATOM 0 HD2 HIS A 46 -7.246 4.321 2.792 1.00 0.73 H new ATOM 0 HE1 HIS A 46 -8.117 4.918 6.906 1.00 0.98 H new ATOM 0 HE2 HIS A 46 -9.033 4.047 4.683 1.00 0.90 H new ATOM 698 N GLU A 47 -3.219 7.654 2.346 1.00 0.60 N ATOM 699 CA GLU A 47 -1.988 8.395 2.599 1.00 0.61 C ATOM 700 C GLU A 47 -1.812 8.668 4.099 1.00 0.56 C ATOM 701 O GLU A 47 -2.651 8.304 4.932 1.00 0.62 O ATOM 702 CB GLU A 47 -1.948 9.673 1.759 1.00 0.98 C ATOM 703 CG GLU A 47 -3.031 10.668 2.152 1.00 1.21 C ATOM 704 CD GLU A 47 -2.795 12.010 1.484 1.00 1.79 C ATOM 705 OE1 GLU A 47 -2.540 12.051 0.265 1.00 2.95 O ATOM 706 OE2 GLU A 47 -2.995 13.013 2.205 1.00 2.09 O ATOM 0 H GLU A 47 -4.060 8.226 2.421 1.00 0.60 H new ATOM 0 HA GLU A 47 -1.139 7.785 2.291 1.00 0.61 H new ATOM 0 HB2 GLU A 47 -0.971 10.144 1.868 1.00 0.98 H new ATOM 0 HB3 GLU A 47 -2.062 9.415 0.706 1.00 0.98 H new ATOM 0 HG2 GLU A 47 -4.009 10.281 1.866 1.00 1.21 H new ATOM 0 HG3 GLU A 47 -3.042 10.792 3.235 1.00 1.21 H new ATOM 713 N THR A 48 -0.697 9.303 4.455 1.00 0.66 N ATOM 714 CA THR A 48 -0.282 9.622 5.818 1.00 0.79 C ATOM 715 C THR A 48 0.555 10.890 5.753 1.00 1.12 C ATOM 716 O THR A 48 1.602 10.921 5.114 1.00 1.31 O ATOM 717 CB THR A 48 0.486 8.456 6.434 1.00 0.97 C ATOM 718 OG1 THR A 48 -0.376 7.343 6.415 1.00 1.03 O ATOM 719 CG2 THR A 48 0.891 8.751 7.878 1.00 1.16 C ATOM 0 H THR A 48 -0.022 9.626 3.761 1.00 0.66 H new ATOM 0 HA THR A 48 -1.146 9.789 6.461 1.00 0.79 H new ATOM 0 HB THR A 48 1.400 8.277 5.867 1.00 0.97 H new ATOM 0 HG1 THR A 48 0.082 6.568 6.803 1.00 1.03 H new ATOM 0 HG21 THR A 48 1.436 7.899 8.284 1.00 1.16 H new ATOM 0 HG22 THR A 48 1.528 9.635 7.904 1.00 1.16 H new ATOM 0 HG23 THR A 48 -0.002 8.930 8.477 1.00 1.16 H new ATOM 727 N PHE A 49 0.047 11.946 6.380 1.00 1.39 N ATOM 728 CA PHE A 49 0.451 13.336 6.163 1.00 1.63 C ATOM 729 C PHE A 49 0.647 14.083 7.494 1.00 1.46 C ATOM 730 O PHE A 49 0.424 13.532 8.575 1.00 1.52 O ATOM 731 CB PHE A 49 -0.614 14.005 5.265 1.00 1.84 C ATOM 732 CG PHE A 49 -2.001 14.129 5.880 1.00 1.74 C ATOM 733 CD1 PHE A 49 -2.884 13.032 5.870 1.00 2.25 C ATOM 734 CD2 PHE A 49 -2.419 15.339 6.469 1.00 2.53 C ATOM 735 CE1 PHE A 49 -4.148 13.131 6.472 1.00 2.22 C ATOM 736 CE2 PHE A 49 -3.691 15.447 7.055 1.00 2.63 C ATOM 737 CZ PHE A 49 -4.553 14.338 7.060 1.00 1.83 C ATOM 0 H PHE A 49 -0.687 11.856 7.082 1.00 1.39 H new ATOM 0 HA PHE A 49 1.419 13.372 5.664 1.00 1.63 H new ATOM 0 HB2 PHE A 49 -0.264 15.002 4.996 1.00 1.84 H new ATOM 0 HB3 PHE A 49 -0.695 13.435 4.340 1.00 1.84 H new ATOM 0 HD1 PHE A 49 -2.587 12.108 5.396 1.00 2.25 H new ATOM 0 HD2 PHE A 49 -1.755 16.191 6.470 1.00 2.53 H new ATOM 0 HE1 PHE A 49 -4.809 12.277 6.482 1.00 2.22 H new ATOM 0 HE2 PHE A 49 -4.005 16.379 7.500 1.00 2.63 H new ATOM 0 HZ PHE A 49 -5.528 14.415 7.517 1.00 1.83 H new ATOM 747 N MET A 50 1.044 15.359 7.423 1.00 1.38 N ATOM 748 CA MET A 50 1.103 16.282 8.568 1.00 1.31 C ATOM 749 C MET A 50 0.191 17.499 8.361 1.00 1.30 C ATOM 750 O MET A 50 -0.023 17.924 7.229 1.00 1.63 O ATOM 751 CB MET A 50 2.558 16.708 8.843 1.00 1.58 C ATOM 752 CG MET A 50 3.182 17.584 7.744 1.00 2.32 C ATOM 753 SD MET A 50 4.786 18.304 8.183 1.00 2.96 S ATOM 754 CE MET A 50 5.887 16.969 7.649 1.00 3.43 C ATOM 0 H MET A 50 1.341 15.791 6.548 1.00 1.38 H new ATOM 0 HA MET A 50 0.732 15.753 9.446 1.00 1.31 H new ATOM 0 HB2 MET A 50 2.592 17.252 9.787 1.00 1.58 H new ATOM 0 HB3 MET A 50 3.168 15.813 8.968 1.00 1.58 H new ATOM 0 HG2 MET A 50 3.301 16.984 6.842 1.00 2.32 H new ATOM 0 HG3 MET A 50 2.489 18.390 7.502 1.00 2.32 H new ATOM 0 HE1 MET A 50 6.921 17.249 7.848 1.00 3.43 H new ATOM 0 HE2 MET A 50 5.646 16.058 8.196 1.00 3.43 H new ATOM 0 HE3 MET A 50 5.757 16.796 6.581 1.00 3.43 H new ATOM 764 N ARG A 51 -0.319 18.083 9.449 1.00 1.28 N ATOM 765 CA ARG A 51 -1.125 19.313 9.442 1.00 1.42 C ATOM 766 C ARG A 51 -1.041 20.068 10.770 1.00 1.44 C ATOM 767 O ARG A 51 -0.783 19.471 11.819 1.00 1.41 O ATOM 768 CB ARG A 51 -2.598 19.012 9.089 1.00 1.52 C ATOM 769 CG ARG A 51 -3.329 18.099 10.101 1.00 2.95 C ATOM 770 CD ARG A 51 -4.862 18.214 10.020 1.00 3.31 C ATOM 771 NE ARG A 51 -5.327 19.528 10.503 1.00 4.78 N ATOM 772 CZ ARG A 51 -6.544 19.903 10.877 1.00 6.10 C ATOM 773 NH1 ARG A 51 -7.585 19.101 10.827 1.00 6.40 N ATOM 774 NH2 ARG A 51 -6.713 21.128 11.321 1.00 7.54 N ATOM 0 H ARG A 51 -0.180 17.705 10.386 1.00 1.28 H new ATOM 0 HA ARG A 51 -0.705 19.958 8.670 1.00 1.42 H new ATOM 0 HB2 ARG A 51 -3.140 19.955 9.013 1.00 1.52 H new ATOM 0 HB3 ARG A 51 -2.634 18.544 8.105 1.00 1.52 H new ATOM 0 HG2 ARG A 51 -3.038 17.064 9.923 1.00 2.95 H new ATOM 0 HG3 ARG A 51 -3.004 18.352 11.110 1.00 2.95 H new ATOM 0 HD2 ARG A 51 -5.186 18.067 8.990 1.00 3.31 H new ATOM 0 HD3 ARG A 51 -5.320 17.423 10.614 1.00 3.31 H new ATOM 0 HE ARG A 51 -4.611 20.252 10.557 1.00 4.78 H new ATOM 0 HH11 ARG A 51 -7.476 18.145 10.490 1.00 6.40 H new ATOM 0 HH12 ARG A 51 -8.501 19.435 11.126 1.00 6.40 H new ATOM 0 HH21 ARG A 51 -5.919 21.766 11.372 1.00 7.54 H new ATOM 0 HH22 ARG A 51 -7.638 21.441 11.615 1.00 7.54 H new ATOM 788 N GLU A 52 -1.356 21.360 10.732 1.00 1.54 N ATOM 789 CA GLU A 52 -1.668 22.161 11.915 1.00 1.49 C ATOM 790 C GLU A 52 -3.104 21.878 12.370 1.00 1.48 C ATOM 791 O GLU A 52 -3.998 21.765 11.531 1.00 1.59 O ATOM 792 CB GLU A 52 -1.471 23.658 11.610 1.00 1.55 C ATOM 793 CG GLU A 52 -0.455 24.289 12.565 1.00 2.08 C ATOM 794 CD GLU A 52 0.929 23.644 12.491 1.00 2.90 C ATOM 795 OE1 GLU A 52 1.335 23.139 11.421 1.00 3.31 O ATOM 796 OE2 GLU A 52 1.623 23.604 13.528 1.00 4.03 O ATOM 0 H GLU A 52 -1.403 21.891 9.862 1.00 1.54 H new ATOM 0 HA GLU A 52 -0.990 21.888 12.724 1.00 1.49 H new ATOM 0 HB2 GLU A 52 -1.132 23.781 10.581 1.00 1.55 H new ATOM 0 HB3 GLU A 52 -2.425 24.178 11.695 1.00 1.55 H new ATOM 0 HG2 GLU A 52 -0.365 25.351 12.338 1.00 2.08 H new ATOM 0 HG3 GLU A 52 -0.830 24.212 13.586 1.00 2.08 H new ATOM 803 N VAL A 53 -3.322 21.742 13.678 1.00 1.49 N ATOM 804 CA VAL A 53 -4.619 21.421 14.299 1.00 1.66 C ATOM 805 C VAL A 53 -5.039 22.575 15.215 1.00 1.64 C ATOM 806 O VAL A 53 -5.607 23.556 14.746 1.00 2.45 O ATOM 807 CB VAL A 53 -4.615 20.025 14.980 1.00 1.97 C ATOM 808 CG1 VAL A 53 -6.022 19.649 15.478 1.00 1.95 C ATOM 809 CG2 VAL A 53 -4.157 18.925 14.004 1.00 3.03 C ATOM 0 H VAL A 53 -2.576 21.855 14.365 1.00 1.49 H new ATOM 0 HA VAL A 53 -5.383 21.330 13.527 1.00 1.66 H new ATOM 0 HB VAL A 53 -3.921 20.092 15.818 1.00 1.97 H new ATOM 0 HG11 VAL A 53 -5.990 18.667 15.950 1.00 1.95 H new ATOM 0 HG12 VAL A 53 -6.362 20.389 16.202 1.00 1.95 H new ATOM 0 HG13 VAL A 53 -6.712 19.624 14.634 1.00 1.95 H new ATOM 0 HG21 VAL A 53 -4.166 17.961 14.512 1.00 3.03 H new ATOM 0 HG22 VAL A 53 -4.834 18.891 13.150 1.00 3.03 H new ATOM 0 HG23 VAL A 53 -3.147 19.143 13.658 1.00 3.03 H new ATOM 819 N GLU A 54 -4.706 22.479 16.497 1.00 1.86 N ATOM 820 CA GLU A 54 -4.898 23.497 17.544 1.00 1.82 C ATOM 821 C GLU A 54 -3.821 24.604 17.443 1.00 1.61 C ATOM 822 O GLU A 54 -3.225 25.017 18.428 1.00 1.73 O ATOM 823 CB GLU A 54 -4.935 22.746 18.895 1.00 2.02 C ATOM 824 CG GLU A 54 -5.274 23.572 20.153 1.00 2.42 C ATOM 825 CD GLU A 54 -4.059 23.896 21.029 1.00 2.81 C ATOM 826 OE1 GLU A 54 -3.142 23.049 21.156 1.00 3.40 O ATOM 827 OE2 GLU A 54 -3.983 25.020 21.574 1.00 3.61 O ATOM 0 H GLU A 54 -4.265 21.636 16.865 1.00 1.86 H new ATOM 0 HA GLU A 54 -5.838 24.038 17.430 1.00 1.82 H new ATOM 0 HB2 GLU A 54 -5.665 21.940 18.813 1.00 2.02 H new ATOM 0 HB3 GLU A 54 -3.962 22.280 19.049 1.00 2.02 H new ATOM 0 HG2 GLU A 54 -5.748 24.505 19.847 1.00 2.42 H new ATOM 0 HG3 GLU A 54 -6.004 23.025 20.749 1.00 2.42 H new ATOM 834 N GLY A 55 -3.453 25.013 16.222 1.00 1.47 N ATOM 835 CA GLY A 55 -2.287 25.875 15.965 1.00 1.52 C ATOM 836 C GLY A 55 -0.939 25.158 16.123 1.00 1.53 C ATOM 837 O GLY A 55 0.098 25.733 15.812 1.00 1.91 O ATOM 0 H GLY A 55 -3.960 24.754 15.375 1.00 1.47 H new ATOM 0 HA2 GLY A 55 -2.359 26.275 14.954 1.00 1.52 H new ATOM 0 HA3 GLY A 55 -2.318 26.725 16.647 1.00 1.52 H new ATOM 841 N LYS A 56 -0.946 23.903 16.587 1.00 1.38 N ATOM 842 CA LYS A 56 0.191 22.996 16.689 1.00 1.56 C ATOM 843 C LYS A 56 0.101 21.892 15.619 1.00 1.41 C ATOM 844 O LYS A 56 -1.001 21.537 15.177 1.00 1.28 O ATOM 845 CB LYS A 56 0.189 22.360 18.097 1.00 1.86 C ATOM 846 CG LYS A 56 -0.384 23.178 19.272 1.00 2.15 C ATOM 847 CD LYS A 56 0.313 24.522 19.555 1.00 3.52 C ATOM 848 CE LYS A 56 -0.655 25.540 20.178 1.00 3.90 C ATOM 849 NZ LYS A 56 -1.328 25.029 21.394 1.00 3.83 N ATOM 0 H LYS A 56 -1.807 23.470 16.922 1.00 1.38 H new ATOM 0 HA LYS A 56 1.114 23.553 16.528 1.00 1.56 H new ATOM 0 HB2 LYS A 56 -0.371 21.427 18.039 1.00 1.86 H new ATOM 0 HB3 LYS A 56 1.218 22.100 18.345 1.00 1.86 H new ATOM 0 HG2 LYS A 56 -1.439 23.371 19.075 1.00 2.15 H new ATOM 0 HG3 LYS A 56 -0.334 22.567 20.174 1.00 2.15 H new ATOM 0 HD2 LYS A 56 1.156 24.361 20.228 1.00 3.52 H new ATOM 0 HD3 LYS A 56 0.718 24.925 18.627 1.00 3.52 H new ATOM 0 HE2 LYS A 56 -0.107 26.449 20.427 1.00 3.90 H new ATOM 0 HE3 LYS A 56 -1.409 25.815 19.440 1.00 3.90 H new ATOM 0 HZ1 LYS A 56 -2.205 25.563 21.556 1.00 3.83 H new ATOM 0 HZ2 LYS A 56 -1.554 24.022 21.268 1.00 3.83 H new ATOM 0 HZ3 LYS A 56 -0.698 25.142 22.213 1.00 3.83 H new ATOM 863 N LYS A 57 1.230 21.294 15.232 1.00 1.51 N ATOM 864 CA LYS A 57 1.272 20.246 14.202 1.00 1.39 C ATOM 865 C LYS A 57 1.028 18.830 14.745 1.00 1.35 C ATOM 866 O LYS A 57 1.527 18.481 15.810 1.00 1.59 O ATOM 867 CB LYS A 57 2.531 20.340 13.327 1.00 1.60 C ATOM 868 CG LYS A 57 3.879 20.387 14.066 1.00 2.49 C ATOM 869 CD LYS A 57 4.921 21.214 13.296 1.00 3.05 C ATOM 870 CE LYS A 57 4.574 22.716 13.307 1.00 3.59 C ATOM 871 NZ LYS A 57 3.972 23.202 12.043 1.00 4.03 N ATOM 0 H LYS A 57 2.144 21.521 15.623 1.00 1.51 H new ATOM 0 HA LYS A 57 0.421 20.445 13.550 1.00 1.39 H new ATOM 0 HB2 LYS A 57 2.542 19.484 12.652 1.00 1.60 H new ATOM 0 HB3 LYS A 57 2.450 21.233 12.708 1.00 1.60 H new ATOM 0 HG2 LYS A 57 3.735 20.815 15.058 1.00 2.49 H new ATOM 0 HG3 LYS A 57 4.252 19.373 14.208 1.00 2.49 H new ATOM 0 HD2 LYS A 57 5.905 21.064 13.740 1.00 3.05 H new ATOM 0 HD3 LYS A 57 4.978 20.861 12.266 1.00 3.05 H new ATOM 0 HE2 LYS A 57 3.883 22.913 14.127 1.00 3.59 H new ATOM 0 HE3 LYS A 57 5.480 23.287 13.510 1.00 3.59 H new ATOM 0 HZ1 LYS A 57 3.938 24.241 12.052 1.00 4.03 H new ATOM 0 HZ2 LYS A 57 4.548 22.881 11.238 1.00 4.03 H new ATOM 0 HZ3 LYS A 57 3.007 22.825 11.950 1.00 4.03 H new ATOM 885 N VAL A 58 0.287 18.026 13.983 1.00 1.21 N ATOM 886 CA VAL A 58 -0.054 16.617 14.256 1.00 1.24 C ATOM 887 C VAL A 58 -0.058 15.854 12.921 1.00 1.11 C ATOM 888 O VAL A 58 -0.202 16.470 11.861 1.00 1.14 O ATOM 889 CB VAL A 58 -1.433 16.478 14.960 1.00 1.38 C ATOM 890 CG1 VAL A 58 -1.643 15.076 15.564 1.00 2.04 C ATOM 891 CG2 VAL A 58 -1.647 17.497 16.096 1.00 1.62 C ATOM 0 H VAL A 58 -0.118 18.353 13.106 1.00 1.21 H new ATOM 0 HA VAL A 58 0.690 16.199 14.934 1.00 1.24 H new ATOM 0 HB VAL A 58 -2.153 16.665 14.164 1.00 1.38 H new ATOM 0 HG11 VAL A 58 -2.620 15.029 16.044 1.00 2.04 H new ATOM 0 HG12 VAL A 58 -1.591 14.328 14.773 1.00 2.04 H new ATOM 0 HG13 VAL A 58 -0.866 14.878 16.302 1.00 2.04 H new ATOM 0 HG21 VAL A 58 -2.629 17.343 16.543 1.00 1.62 H new ATOM 0 HG22 VAL A 58 -0.877 17.362 16.856 1.00 1.62 H new ATOM 0 HG23 VAL A 58 -1.586 18.508 15.694 1.00 1.62 H new ATOM 901 N MET A 59 0.106 14.528 12.955 1.00 1.11 N ATOM 902 CA MET A 59 -0.081 13.657 11.785 1.00 1.01 C ATOM 903 C MET A 59 -1.565 13.459 11.422 1.00 1.15 C ATOM 904 O MET A 59 -2.458 13.865 12.169 1.00 1.86 O ATOM 905 CB MET A 59 0.637 12.320 12.011 1.00 1.19 C ATOM 906 CG MET A 59 -0.031 11.446 13.085 1.00 3.18 C ATOM 907 SD MET A 59 1.105 10.320 13.933 1.00 4.49 S ATOM 908 CE MET A 59 1.965 11.526 14.974 1.00 4.36 C ATOM 0 H MET A 59 0.374 14.023 13.800 1.00 1.11 H new ATOM 0 HA MET A 59 0.367 14.153 10.924 1.00 1.01 H new ATOM 0 HB2 MET A 59 0.668 11.769 11.071 1.00 1.19 H new ATOM 0 HB3 MET A 59 1.670 12.514 12.301 1.00 1.19 H new ATOM 0 HG2 MET A 59 -0.502 12.094 13.824 1.00 3.18 H new ATOM 0 HG3 MET A 59 -0.825 10.862 12.620 1.00 3.18 H new ATOM 0 HE1 MET A 59 3.042 11.383 14.883 1.00 4.36 H new ATOM 0 HE2 MET A 59 1.704 12.535 14.654 1.00 4.36 H new ATOM 0 HE3 MET A 59 1.667 11.387 16.013 1.00 4.36 H new ATOM 918 N GLY A 60 -1.831 12.799 10.294 1.00 1.07 N ATOM 919 CA GLY A 60 -3.141 12.259 9.937 1.00 1.28 C ATOM 920 C GLY A 60 -3.013 11.110 8.945 1.00 1.02 C ATOM 921 O GLY A 60 -2.062 11.081 8.172 1.00 1.27 O ATOM 0 H GLY A 60 -1.120 12.621 9.584 1.00 1.07 H new ATOM 0 HA2 GLY A 60 -3.651 11.912 10.836 1.00 1.28 H new ATOM 0 HA3 GLY A 60 -3.757 13.048 9.506 1.00 1.28 H new ATOM 925 N MET A 61 -3.986 10.199 8.927 1.00 0.87 N ATOM 926 CA MET A 61 -4.128 9.134 7.927 1.00 0.70 C ATOM 927 C MET A 61 -5.518 9.240 7.296 1.00 0.70 C ATOM 928 O MET A 61 -6.476 9.569 7.995 1.00 0.78 O ATOM 929 CB MET A 61 -3.966 7.747 8.571 1.00 0.78 C ATOM 930 CG MET A 61 -2.586 7.497 9.195 1.00 0.97 C ATOM 931 SD MET A 61 -2.274 8.286 10.803 1.00 1.79 S ATOM 932 CE MET A 61 -0.691 7.507 11.197 1.00 1.69 C ATOM 0 H MET A 61 -4.724 10.179 9.631 1.00 0.87 H new ATOM 0 HA MET A 61 -3.352 9.252 7.171 1.00 0.70 H new ATOM 0 HB2 MET A 61 -4.727 7.626 9.342 1.00 0.78 H new ATOM 0 HB3 MET A 61 -4.153 6.984 7.815 1.00 0.78 H new ATOM 0 HG2 MET A 61 -2.452 6.421 9.310 1.00 0.97 H new ATOM 0 HG3 MET A 61 -1.826 7.839 8.493 1.00 0.97 H new ATOM 0 HE1 MET A 61 -0.185 8.083 11.972 1.00 1.69 H new ATOM 0 HE2 MET A 61 -0.864 6.492 11.554 1.00 1.69 H new ATOM 0 HE3 MET A 61 -0.068 7.476 10.303 1.00 1.69 H new ATOM 942 N ARG A 62 -5.648 8.976 5.993 1.00 0.72 N ATOM 943 CA ARG A 62 -6.935 9.069 5.280 1.00 0.72 C ATOM 944 C ARG A 62 -6.901 8.340 3.936 1.00 0.70 C ATOM 945 O ARG A 62 -5.863 8.393 3.273 1.00 0.70 O ATOM 946 CB ARG A 62 -7.394 10.538 5.116 1.00 0.80 C ATOM 947 CG ARG A 62 -6.423 11.495 4.395 1.00 2.38 C ATOM 948 CD ARG A 62 -6.641 11.634 2.884 1.00 2.99 C ATOM 949 NE ARG A 62 -5.763 12.687 2.352 1.00 4.08 N ATOM 950 CZ ARG A 62 -6.047 13.932 2.010 1.00 4.67 C ATOM 951 NH1 ARG A 62 -7.280 14.394 1.977 1.00 4.33 N ATOM 952 NH2 ARG A 62 -5.046 14.731 1.724 1.00 6.21 N ATOM 0 H ARG A 62 -4.869 8.692 5.399 1.00 0.72 H new ATOM 0 HA ARG A 62 -7.675 8.563 5.900 1.00 0.72 H new ATOM 0 HB2 ARG A 62 -8.339 10.540 4.572 1.00 0.80 H new ATOM 0 HB3 ARG A 62 -7.596 10.943 6.107 1.00 0.80 H new ATOM 0 HG2 ARG A 62 -6.507 12.482 4.850 1.00 2.38 H new ATOM 0 HG3 ARG A 62 -5.404 11.150 4.568 1.00 2.38 H new ATOM 0 HD2 ARG A 62 -6.431 10.687 2.388 1.00 2.99 H new ATOM 0 HD3 ARG A 62 -7.683 11.877 2.678 1.00 2.99 H new ATOM 0 HE ARG A 62 -4.788 12.416 2.228 1.00 4.08 H new ATOM 0 HH11 ARG A 62 -8.060 13.784 2.221 1.00 4.33 H new ATOM 0 HH12 ARG A 62 -7.455 15.362 1.707 1.00 4.33 H new ATOM 0 HH21 ARG A 62 -4.088 14.384 1.770 1.00 6.21 H new ATOM 0 HH22 ARG A 62 -5.226 15.698 1.456 1.00 6.21 H new ATOM 966 N PRO A 63 -8.017 7.716 3.499 1.00 0.69 N ATOM 967 CA PRO A 63 -8.125 7.127 2.172 1.00 0.60 C ATOM 968 C PRO A 63 -8.096 8.211 1.096 1.00 0.58 C ATOM 969 O PRO A 63 -8.526 9.339 1.332 1.00 0.69 O ATOM 970 CB PRO A 63 -9.406 6.292 2.148 1.00 0.66 C ATOM 971 CG PRO A 63 -10.255 6.948 3.221 1.00 0.92 C ATOM 972 CD PRO A 63 -9.274 7.566 4.214 1.00 0.80 C ATOM 0 HA PRO A 63 -7.276 6.479 1.954 1.00 0.60 H new ATOM 0 HB2 PRO A 63 -9.891 6.324 1.173 1.00 0.66 H new ATOM 0 HB3 PRO A 63 -9.210 5.244 2.372 1.00 0.66 H new ATOM 0 HG2 PRO A 63 -10.907 7.709 2.792 1.00 0.92 H new ATOM 0 HG3 PRO A 63 -10.898 6.217 3.711 1.00 0.92 H new ATOM 0 HD2 PRO A 63 -9.636 8.530 4.571 1.00 0.80 H new ATOM 0 HD3 PRO A 63 -9.151 6.928 5.089 1.00 0.80 H new ATOM 980 N VAL A 64 -7.588 7.841 -0.078 1.00 0.51 N ATOM 981 CA VAL A 64 -7.497 8.696 -1.276 1.00 0.52 C ATOM 982 C VAL A 64 -8.137 7.988 -2.474 1.00 0.51 C ATOM 983 O VAL A 64 -8.209 6.757 -2.470 1.00 0.50 O ATOM 984 CB VAL A 64 -6.034 9.082 -1.625 1.00 0.51 C ATOM 985 CG1 VAL A 64 -5.612 10.304 -0.808 1.00 0.58 C ATOM 986 CG2 VAL A 64 -5.017 7.946 -1.443 1.00 0.51 C ATOM 0 H VAL A 64 -7.213 6.905 -0.234 1.00 0.51 H new ATOM 0 HA VAL A 64 -8.034 9.617 -1.050 1.00 0.52 H new ATOM 0 HB VAL A 64 -6.029 9.312 -2.690 1.00 0.51 H new ATOM 0 HG11 VAL A 64 -4.585 10.571 -1.057 1.00 0.58 H new ATOM 0 HG12 VAL A 64 -6.270 11.141 -1.039 1.00 0.58 H new ATOM 0 HG13 VAL A 64 -5.680 10.072 0.255 1.00 0.58 H new ATOM 0 HG21 VAL A 64 -4.022 8.303 -1.709 1.00 0.51 H new ATOM 0 HG22 VAL A 64 -5.019 7.619 -0.403 1.00 0.51 H new ATOM 0 HG23 VAL A 64 -5.287 7.109 -2.087 1.00 0.51 H new ATOM 996 N PRO A 65 -8.593 8.725 -3.506 1.00 0.54 N ATOM 997 CA PRO A 65 -9.166 8.123 -4.703 1.00 0.56 C ATOM 998 C PRO A 65 -8.125 7.360 -5.529 1.00 0.45 C ATOM 999 O PRO A 65 -8.520 6.469 -6.276 1.00 0.45 O ATOM 1000 CB PRO A 65 -9.777 9.286 -5.492 1.00 0.66 C ATOM 1001 CG PRO A 65 -8.916 10.479 -5.084 1.00 0.66 C ATOM 1002 CD PRO A 65 -8.614 10.180 -3.617 1.00 0.62 C ATOM 0 HA PRO A 65 -9.915 7.374 -4.445 1.00 0.56 H new ATOM 0 HB2 PRO A 65 -9.735 9.109 -6.567 1.00 0.66 H new ATOM 0 HB3 PRO A 65 -10.825 9.440 -5.235 1.00 0.66 H new ATOM 0 HG2 PRO A 65 -8.006 10.546 -5.680 1.00 0.66 H new ATOM 0 HG3 PRO A 65 -9.447 11.423 -5.205 1.00 0.66 H new ATOM 0 HD2 PRO A 65 -7.657 10.609 -3.319 1.00 0.62 H new ATOM 0 HD3 PRO A 65 -9.374 10.611 -2.965 1.00 0.62 H new ATOM 1010 N PHE A 66 -6.823 7.676 -5.391 1.00 0.44 N ATOM 1011 CA PHE A 66 -5.714 7.026 -6.089 1.00 0.41 C ATOM 1012 C PHE A 66 -4.354 7.553 -5.610 1.00 0.46 C ATOM 1013 O PHE A 66 -4.254 8.620 -5.006 1.00 0.56 O ATOM 1014 CB PHE A 66 -5.838 7.153 -7.620 1.00 0.47 C ATOM 1015 CG PHE A 66 -5.873 8.558 -8.187 1.00 0.60 C ATOM 1016 CD1 PHE A 66 -4.677 9.234 -8.492 1.00 1.67 C ATOM 1017 CD2 PHE A 66 -7.109 9.163 -8.478 1.00 1.70 C ATOM 1018 CE1 PHE A 66 -4.717 10.500 -9.099 1.00 1.82 C ATOM 1019 CE2 PHE A 66 -7.149 10.436 -9.072 1.00 1.76 C ATOM 1020 CZ PHE A 66 -5.953 11.102 -9.390 1.00 1.03 C ATOM 0 H PHE A 66 -6.511 8.419 -4.766 1.00 0.44 H new ATOM 0 HA PHE A 66 -5.772 5.966 -5.840 1.00 0.41 H new ATOM 0 HB2 PHE A 66 -5.000 6.624 -8.074 1.00 0.47 H new ATOM 0 HB3 PHE A 66 -6.747 6.638 -7.931 1.00 0.47 H new ATOM 0 HD1 PHE A 66 -3.726 8.778 -8.259 1.00 1.67 H new ATOM 0 HD2 PHE A 66 -8.029 8.648 -8.244 1.00 1.70 H new ATOM 0 HE1 PHE A 66 -3.797 11.011 -9.342 1.00 1.82 H new ATOM 0 HE2 PHE A 66 -8.099 10.903 -9.284 1.00 1.76 H new ATOM 0 HZ PHE A 66 -5.984 12.075 -9.857 1.00 1.03 H new ATOM 1030 N LEU A 67 -3.305 6.810 -5.958 1.00 0.47 N ATOM 1031 CA LEU A 67 -1.935 7.296 -6.122 1.00 0.52 C ATOM 1032 C LEU A 67 -1.533 7.200 -7.598 1.00 0.58 C ATOM 1033 O LEU A 67 -2.210 6.525 -8.373 1.00 0.63 O ATOM 1034 CB LEU A 67 -0.986 6.421 -5.282 1.00 0.51 C ATOM 1035 CG LEU A 67 -0.519 7.045 -3.959 1.00 0.56 C ATOM 1036 CD1 LEU A 67 0.486 6.049 -3.371 1.00 0.97 C ATOM 1037 CD2 LEU A 67 0.197 8.394 -4.138 1.00 0.82 C ATOM 0 H LEU A 67 -3.390 5.810 -6.141 1.00 0.47 H new ATOM 0 HA LEU A 67 -1.872 8.333 -5.793 1.00 0.52 H new ATOM 0 HB2 LEU A 67 -1.486 5.477 -5.063 1.00 0.51 H new ATOM 0 HB3 LEU A 67 -0.108 6.185 -5.883 1.00 0.51 H new ATOM 0 HG LEU A 67 -1.387 7.235 -3.328 1.00 0.56 H new ATOM 0 HD11 LEU A 67 0.863 6.430 -2.422 1.00 0.97 H new ATOM 0 HD12 LEU A 67 -0.005 5.090 -3.208 1.00 0.97 H new ATOM 0 HD13 LEU A 67 1.316 5.918 -4.065 1.00 0.97 H new ATOM 0 HD21 LEU A 67 0.500 8.777 -3.164 1.00 0.82 H new ATOM 0 HD22 LEU A 67 1.079 8.258 -4.764 1.00 0.82 H new ATOM 0 HD23 LEU A 67 -0.479 9.105 -4.613 1.00 0.82 H new ATOM 1049 N GLU A 68 -0.379 7.747 -7.983 1.00 0.67 N ATOM 1050 CA GLU A 68 0.223 7.430 -9.277 1.00 0.86 C ATOM 1051 C GLU A 68 1.735 7.600 -9.295 1.00 0.92 C ATOM 1052 O GLU A 68 2.307 8.216 -8.400 1.00 0.85 O ATOM 1053 CB GLU A 68 -0.488 8.122 -10.453 1.00 1.21 C ATOM 1054 CG GLU A 68 -0.120 9.543 -10.835 1.00 1.55 C ATOM 1055 CD GLU A 68 -1.034 9.877 -12.018 1.00 2.06 C ATOM 1056 OE1 GLU A 68 -2.189 10.287 -11.769 1.00 2.12 O ATOM 1057 OE2 GLU A 68 -0.703 9.518 -13.169 1.00 3.19 O ATOM 0 H GLU A 68 0.155 8.409 -7.419 1.00 0.67 H new ATOM 0 HA GLU A 68 0.059 6.363 -9.426 1.00 0.86 H new ATOM 0 HB2 GLU A 68 -0.335 7.500 -11.335 1.00 1.21 H new ATOM 0 HB3 GLU A 68 -1.556 8.111 -10.237 1.00 1.21 H new ATOM 0 HG2 GLU A 68 -0.280 10.230 -10.004 1.00 1.55 H new ATOM 0 HG3 GLU A 68 0.931 9.619 -11.113 1.00 1.55 H new ATOM 1064 N VAL A 69 2.361 7.011 -10.313 1.00 1.12 N ATOM 1065 CA VAL A 69 3.805 6.990 -10.540 1.00 1.08 C ATOM 1066 C VAL A 69 4.092 7.403 -11.988 1.00 1.14 C ATOM 1067 O VAL A 69 3.505 6.813 -12.905 1.00 1.24 O ATOM 1068 CB VAL A 69 4.418 5.582 -10.310 1.00 1.06 C ATOM 1069 CG1 VAL A 69 5.941 5.672 -10.097 1.00 0.96 C ATOM 1070 CG2 VAL A 69 3.810 4.814 -9.129 1.00 1.15 C ATOM 0 H VAL A 69 1.848 6.510 -11.039 1.00 1.12 H new ATOM 0 HA VAL A 69 4.255 7.682 -9.828 1.00 1.08 H new ATOM 0 HB VAL A 69 4.182 5.027 -11.218 1.00 1.06 H new ATOM 0 HG11 VAL A 69 6.346 4.673 -9.938 1.00 0.96 H new ATOM 0 HG12 VAL A 69 6.406 6.116 -10.977 1.00 0.96 H new ATOM 0 HG13 VAL A 69 6.150 6.291 -9.225 1.00 0.96 H new ATOM 0 HG21 VAL A 69 4.295 3.842 -9.039 1.00 1.15 H new ATOM 0 HG22 VAL A 69 3.960 5.381 -8.210 1.00 1.15 H new ATOM 0 HG23 VAL A 69 2.742 4.673 -9.298 1.00 1.15 H new ATOM 1080 N PRO A 70 5.000 8.369 -12.225 1.00 1.12 N ATOM 1081 CA PRO A 70 5.421 8.731 -13.566 1.00 1.20 C ATOM 1082 C PRO A 70 6.325 7.642 -14.176 1.00 1.08 C ATOM 1083 O PRO A 70 6.888 6.826 -13.442 1.00 0.92 O ATOM 1084 CB PRO A 70 6.161 10.060 -13.415 1.00 1.28 C ATOM 1085 CG PRO A 70 6.766 9.961 -12.016 1.00 1.17 C ATOM 1086 CD PRO A 70 5.704 9.181 -11.240 1.00 1.10 C ATOM 0 HA PRO A 70 4.574 8.825 -14.246 1.00 1.20 H new ATOM 0 HB2 PRO A 70 6.929 10.183 -14.179 1.00 1.28 H new ATOM 0 HB3 PRO A 70 5.485 10.910 -13.503 1.00 1.28 H new ATOM 0 HG2 PRO A 70 7.723 9.440 -12.026 1.00 1.17 H new ATOM 0 HG3 PRO A 70 6.943 10.945 -11.582 1.00 1.17 H new ATOM 0 HD2 PRO A 70 6.162 8.555 -10.474 1.00 1.10 H new ATOM 0 HD3 PRO A 70 5.018 9.858 -10.730 1.00 1.10 H new ATOM 1094 N PRO A 71 6.481 7.638 -15.511 1.00 1.20 N ATOM 1095 CA PRO A 71 7.333 6.691 -16.220 1.00 1.19 C ATOM 1096 C PRO A 71 8.798 6.802 -15.798 1.00 1.13 C ATOM 1097 O PRO A 71 9.298 7.898 -15.555 1.00 1.20 O ATOM 1098 CB PRO A 71 7.132 6.980 -17.703 1.00 1.36 C ATOM 1099 CG PRO A 71 6.502 8.366 -17.782 1.00 1.49 C ATOM 1100 CD PRO A 71 5.811 8.535 -16.439 1.00 1.41 C ATOM 0 HA PRO A 71 7.060 5.663 -15.983 1.00 1.19 H new ATOM 0 HB2 PRO A 71 8.081 6.952 -18.238 1.00 1.36 H new ATOM 0 HB3 PRO A 71 6.486 6.232 -18.162 1.00 1.36 H new ATOM 0 HG2 PRO A 71 7.255 9.138 -17.943 1.00 1.49 H new ATOM 0 HG3 PRO A 71 5.793 8.435 -18.607 1.00 1.49 H new ATOM 0 HD2 PRO A 71 5.878 9.568 -16.096 1.00 1.41 H new ATOM 0 HD3 PRO A 71 4.751 8.292 -16.515 1.00 1.41 H new ATOM 1108 N LYS A 72 9.468 5.644 -15.683 1.00 1.05 N ATOM 1109 CA LYS A 72 10.873 5.475 -15.259 1.00 1.05 C ATOM 1110 C LYS A 72 11.127 5.823 -13.779 1.00 1.03 C ATOM 1111 O LYS A 72 12.247 5.688 -13.287 1.00 1.13 O ATOM 1112 CB LYS A 72 11.823 6.213 -16.221 1.00 1.24 C ATOM 1113 CG LYS A 72 11.605 5.809 -17.687 1.00 1.53 C ATOM 1114 CD LYS A 72 12.142 4.403 -18.012 1.00 1.30 C ATOM 1115 CE LYS A 72 11.487 3.783 -19.252 1.00 1.88 C ATOM 1116 NZ LYS A 72 11.707 4.557 -20.493 1.00 1.58 N ATOM 0 H LYS A 72 9.023 4.751 -15.894 1.00 1.05 H new ATOM 0 HA LYS A 72 11.094 4.409 -15.322 1.00 1.05 H new ATOM 0 HB2 LYS A 72 11.676 7.288 -16.118 1.00 1.24 H new ATOM 0 HB3 LYS A 72 12.855 6.004 -15.939 1.00 1.24 H new ATOM 0 HG2 LYS A 72 10.539 5.846 -17.913 1.00 1.53 H new ATOM 0 HG3 LYS A 72 12.094 6.537 -18.335 1.00 1.53 H new ATOM 0 HD2 LYS A 72 13.220 4.458 -18.167 1.00 1.30 H new ATOM 0 HD3 LYS A 72 11.976 3.750 -17.155 1.00 1.30 H new ATOM 0 HE2 LYS A 72 11.875 2.774 -19.390 1.00 1.88 H new ATOM 0 HE3 LYS A 72 10.415 3.691 -19.078 1.00 1.88 H new ATOM 0 HZ1 LYS A 72 11.251 4.070 -21.291 1.00 1.58 H new ATOM 0 HZ2 LYS A 72 11.297 5.507 -20.387 1.00 1.58 H new ATOM 0 HZ3 LYS A 72 12.728 4.639 -20.675 1.00 1.58 H new ATOM 1130 N GLY A 73 10.083 6.233 -13.059 1.00 0.97 N ATOM 1131 CA GLY A 73 10.066 6.544 -11.646 1.00 1.02 C ATOM 1132 C GLY A 73 9.798 5.313 -10.793 1.00 0.94 C ATOM 1133 O GLY A 73 9.181 4.330 -11.204 1.00 1.19 O ATOM 0 H GLY A 73 9.166 6.363 -13.487 1.00 0.97 H new ATOM 0 HA2 GLY A 73 11.022 6.982 -11.360 1.00 1.02 H new ATOM 0 HA3 GLY A 73 9.300 7.295 -11.449 1.00 1.02 H new ATOM 1137 N ARG A 74 10.250 5.452 -9.557 1.00 0.96 N ATOM 1138 CA ARG A 74 9.963 4.578 -8.413 1.00 0.96 C ATOM 1139 C ARG A 74 9.278 5.342 -7.283 1.00 1.05 C ATOM 1140 O ARG A 74 9.523 6.533 -7.115 1.00 1.30 O ATOM 1141 CB ARG A 74 11.249 3.960 -7.823 1.00 1.08 C ATOM 1142 CG ARG A 74 11.976 2.967 -8.739 1.00 2.41 C ATOM 1143 CD ARG A 74 12.642 1.856 -7.905 1.00 2.18 C ATOM 1144 NE ARG A 74 13.108 0.743 -8.739 1.00 3.53 N ATOM 1145 CZ ARG A 74 14.138 0.681 -9.564 1.00 4.58 C ATOM 1146 NH1 ARG A 74 15.053 1.627 -9.629 1.00 4.95 N ATOM 1147 NH2 ARG A 74 14.246 -0.359 -10.354 1.00 6.05 N ATOM 0 H ARG A 74 10.866 6.224 -9.302 1.00 0.96 H new ATOM 0 HA ARG A 74 9.311 3.795 -8.799 1.00 0.96 H new ATOM 0 HB2 ARG A 74 11.937 4.766 -7.569 1.00 1.08 H new ATOM 0 HB3 ARG A 74 10.995 3.453 -6.892 1.00 1.08 H new ATOM 0 HG2 ARG A 74 11.270 2.528 -9.443 1.00 2.41 H new ATOM 0 HG3 ARG A 74 12.730 3.490 -9.328 1.00 2.41 H new ATOM 0 HD2 ARG A 74 13.485 2.273 -7.354 1.00 2.18 H new ATOM 0 HD3 ARG A 74 11.932 1.483 -7.167 1.00 2.18 H new ATOM 0 HE ARG A 74 12.554 -0.111 -8.672 1.00 3.53 H new ATOM 0 HH11 ARG A 74 14.982 2.448 -9.027 1.00 4.95 H new ATOM 0 HH12 ARG A 74 15.832 1.539 -10.281 1.00 4.95 H new ATOM 0 HH21 ARG A 74 13.544 -1.098 -10.323 1.00 6.05 H new ATOM 0 HH22 ARG A 74 15.032 -0.429 -11.000 1.00 6.05 H new ATOM 1161 N VAL A 75 8.538 4.616 -6.448 1.00 0.95 N ATOM 1162 CA VAL A 75 8.047 5.050 -5.127 1.00 0.99 C ATOM 1163 C VAL A 75 8.008 3.860 -4.157 1.00 0.97 C ATOM 1164 O VAL A 75 7.960 2.711 -4.584 1.00 1.19 O ATOM 1165 CB VAL A 75 6.643 5.699 -5.196 1.00 1.20 C ATOM 1166 CG1 VAL A 75 6.654 7.071 -5.885 1.00 1.39 C ATOM 1167 CG2 VAL A 75 5.631 4.785 -5.903 1.00 1.30 C ATOM 0 H VAL A 75 8.247 3.666 -6.677 1.00 0.95 H new ATOM 0 HA VAL A 75 8.744 5.807 -4.768 1.00 0.99 H new ATOM 0 HB VAL A 75 6.337 5.844 -4.160 1.00 1.20 H new ATOM 0 HG11 VAL A 75 5.643 7.477 -5.904 1.00 1.39 H new ATOM 0 HG12 VAL A 75 7.307 7.749 -5.335 1.00 1.39 H new ATOM 0 HG13 VAL A 75 7.020 6.963 -6.906 1.00 1.39 H new ATOM 0 HG21 VAL A 75 4.657 5.274 -5.932 1.00 1.30 H new ATOM 0 HG22 VAL A 75 5.968 4.587 -6.920 1.00 1.30 H new ATOM 0 HG23 VAL A 75 5.548 3.844 -5.359 1.00 1.30 H new ATOM 1177 N GLU A 76 7.992 4.133 -2.853 1.00 0.99 N ATOM 1178 CA GLU A 76 7.812 3.156 -1.787 1.00 0.99 C ATOM 1179 C GLU A 76 6.649 3.636 -0.903 1.00 0.93 C ATOM 1180 O GLU A 76 6.781 4.647 -0.209 1.00 1.10 O ATOM 1181 CB GLU A 76 9.135 3.065 -1.010 1.00 1.22 C ATOM 1182 CG GLU A 76 9.186 1.868 -0.060 1.00 2.23 C ATOM 1183 CD GLU A 76 10.042 2.192 1.162 1.00 3.13 C ATOM 1184 OE1 GLU A 76 11.188 2.668 1.006 1.00 3.34 O ATOM 1185 OE2 GLU A 76 9.507 2.200 2.291 1.00 4.18 O ATOM 0 H GLU A 76 8.109 5.082 -2.499 1.00 0.99 H new ATOM 0 HA GLU A 76 7.567 2.162 -2.162 1.00 0.99 H new ATOM 0 HB2 GLU A 76 9.962 2.997 -1.717 1.00 1.22 H new ATOM 0 HB3 GLU A 76 9.279 3.982 -0.439 1.00 1.22 H new ATOM 0 HG2 GLU A 76 8.177 1.603 0.255 1.00 2.23 H new ATOM 0 HG3 GLU A 76 9.596 1.001 -0.579 1.00 2.23 H new ATOM 1192 N LEU A 77 5.506 2.938 -0.957 1.00 0.82 N ATOM 1193 CA LEU A 77 4.313 3.204 -0.147 1.00 0.83 C ATOM 1194 C LEU A 77 4.597 2.835 1.311 1.00 0.89 C ATOM 1195 O LEU A 77 4.309 1.727 1.755 1.00 1.30 O ATOM 1196 CB LEU A 77 3.087 2.440 -0.705 1.00 0.93 C ATOM 1197 CG LEU A 77 2.351 3.118 -1.877 1.00 0.99 C ATOM 1198 CD1 LEU A 77 3.179 3.200 -3.168 1.00 1.08 C ATOM 1199 CD2 LEU A 77 1.036 2.383 -2.157 1.00 1.21 C ATOM 0 H LEU A 77 5.384 2.146 -1.588 1.00 0.82 H new ATOM 0 HA LEU A 77 4.072 4.266 -0.193 1.00 0.83 H new ATOM 0 HB2 LEU A 77 3.415 1.452 -1.029 1.00 0.93 H new ATOM 0 HB3 LEU A 77 2.376 2.289 0.107 1.00 0.93 H new ATOM 0 HG LEU A 77 2.163 4.145 -1.565 1.00 0.99 H new ATOM 0 HD11 LEU A 77 2.593 3.690 -3.946 1.00 1.08 H new ATOM 0 HD12 LEU A 77 4.087 3.774 -2.982 1.00 1.08 H new ATOM 0 HD13 LEU A 77 3.446 2.195 -3.494 1.00 1.08 H new ATOM 0 HD21 LEU A 77 0.519 2.866 -2.986 1.00 1.21 H new ATOM 0 HD22 LEU A 77 1.247 1.345 -2.416 1.00 1.21 H new ATOM 0 HD23 LEU A 77 0.405 2.414 -1.269 1.00 1.21 H new ATOM 1211 N LYS A 78 5.219 3.766 2.030 1.00 0.89 N ATOM 1212 CA LYS A 78 5.724 3.595 3.392 1.00 0.95 C ATOM 1213 C LYS A 78 4.727 4.090 4.465 1.00 0.81 C ATOM 1214 O LYS A 78 3.920 4.971 4.172 1.00 0.80 O ATOM 1215 CB LYS A 78 7.092 4.299 3.451 1.00 1.16 C ATOM 1216 CG LYS A 78 7.081 5.814 3.162 1.00 1.15 C ATOM 1217 CD LYS A 78 8.495 6.424 3.198 1.00 1.64 C ATOM 1218 CE LYS A 78 9.466 5.855 2.141 1.00 2.32 C ATOM 1219 NZ LYS A 78 10.287 4.718 2.636 1.00 3.87 N ATOM 0 H LYS A 78 5.393 4.702 1.664 1.00 0.89 H new ATOM 0 HA LYS A 78 5.844 2.537 3.627 1.00 0.95 H new ATOM 0 HB2 LYS A 78 7.518 4.140 4.441 1.00 1.16 H new ATOM 0 HB3 LYS A 78 7.759 3.817 2.736 1.00 1.16 H new ATOM 0 HG2 LYS A 78 6.635 5.992 2.183 1.00 1.15 H new ATOM 0 HG3 LYS A 78 6.451 6.317 3.896 1.00 1.15 H new ATOM 0 HD2 LYS A 78 8.415 7.502 3.057 1.00 1.64 H new ATOM 0 HD3 LYS A 78 8.921 6.263 4.188 1.00 1.64 H new ATOM 0 HE2 LYS A 78 8.894 5.528 1.273 1.00 2.32 H new ATOM 0 HE3 LYS A 78 10.129 6.651 1.804 1.00 2.32 H new ATOM 0 HZ1 LYS A 78 10.985 4.452 1.912 1.00 3.87 H new ATOM 0 HZ2 LYS A 78 10.782 5.000 3.506 1.00 3.87 H new ATOM 0 HZ3 LYS A 78 9.670 3.905 2.836 1.00 3.87 H new ATOM 1233 N PRO A 79 4.802 3.604 5.725 1.00 0.78 N ATOM 1234 CA PRO A 79 3.884 4.008 6.796 1.00 0.75 C ATOM 1235 C PRO A 79 3.906 5.515 7.108 1.00 0.84 C ATOM 1236 O PRO A 79 2.868 6.062 7.459 1.00 0.97 O ATOM 1237 CB PRO A 79 4.264 3.164 8.021 1.00 0.78 C ATOM 1238 CG PRO A 79 5.690 2.696 7.733 1.00 0.87 C ATOM 1239 CD PRO A 79 5.717 2.578 6.213 1.00 0.88 C ATOM 0 HA PRO A 79 2.856 3.829 6.482 1.00 0.75 H new ATOM 0 HB2 PRO A 79 4.216 3.751 8.938 1.00 0.78 H new ATOM 0 HB3 PRO A 79 3.587 2.319 8.147 1.00 0.78 H new ATOM 0 HG2 PRO A 79 6.429 3.411 8.095 1.00 0.87 H new ATOM 0 HG3 PRO A 79 5.906 1.742 8.215 1.00 0.87 H new ATOM 0 HD2 PRO A 79 6.724 2.734 5.825 1.00 0.88 H new ATOM 0 HD3 PRO A 79 5.401 1.586 5.891 1.00 0.88 H new ATOM 1247 N GLY A 80 5.040 6.204 6.913 1.00 1.07 N ATOM 1248 CA GLY A 80 5.127 7.671 6.935 1.00 1.22 C ATOM 1249 C GLY A 80 4.898 8.275 5.548 1.00 1.04 C ATOM 1250 O GLY A 80 5.745 9.032 5.081 1.00 1.27 O ATOM 0 H GLY A 80 5.936 5.751 6.733 1.00 1.07 H new ATOM 0 HA2 GLY A 80 4.388 8.068 7.631 1.00 1.22 H new ATOM 0 HA3 GLY A 80 6.107 7.971 7.305 1.00 1.22 H new ATOM 1254 N GLY A 81 3.826 7.868 4.858 1.00 0.91 N ATOM 1255 CA GLY A 81 3.509 8.307 3.493 1.00 0.78 C ATOM 1256 C GLY A 81 2.185 7.796 2.927 1.00 0.67 C ATOM 1257 O GLY A 81 1.270 8.575 2.712 1.00 0.81 O ATOM 0 H GLY A 81 3.143 7.213 5.239 1.00 0.91 H new ATOM 0 HA2 GLY A 81 3.495 9.397 3.475 1.00 0.78 H new ATOM 0 HA3 GLY A 81 4.314 7.987 2.831 1.00 0.78 H new ATOM 1261 N TYR A 82 2.102 6.503 2.613 1.00 0.54 N ATOM 1262 CA TYR A 82 1.066 5.855 1.791 1.00 0.52 C ATOM 1263 C TYR A 82 0.990 4.361 2.106 1.00 0.53 C ATOM 1264 O TYR A 82 2.022 3.742 2.336 1.00 0.59 O ATOM 1265 CB TYR A 82 1.384 6.058 0.305 1.00 0.57 C ATOM 1266 CG TYR A 82 1.538 7.507 -0.106 1.00 0.61 C ATOM 1267 CD1 TYR A 82 0.399 8.290 -0.364 1.00 1.54 C ATOM 1268 CD2 TYR A 82 2.821 8.089 -0.135 1.00 1.89 C ATOM 1269 CE1 TYR A 82 0.533 9.670 -0.609 1.00 1.56 C ATOM 1270 CE2 TYR A 82 2.965 9.467 -0.360 1.00 1.93 C ATOM 1271 CZ TYR A 82 1.817 10.264 -0.592 1.00 0.72 C ATOM 1272 OH TYR A 82 1.936 11.603 -0.794 1.00 0.81 O ATOM 0 H TYR A 82 2.797 5.834 2.944 1.00 0.54 H new ATOM 0 HA TYR A 82 0.102 6.308 2.021 1.00 0.52 H new ATOM 0 HB2 TYR A 82 2.304 5.525 0.066 1.00 0.57 H new ATOM 0 HB3 TYR A 82 0.590 5.606 -0.290 1.00 0.57 H new ATOM 0 HD1 TYR A 82 -0.579 7.833 -0.374 1.00 1.54 H new ATOM 0 HD2 TYR A 82 3.695 7.473 0.016 1.00 1.89 H new ATOM 0 HE1 TYR A 82 -0.341 10.273 -0.809 1.00 1.56 H new ATOM 0 HE2 TYR A 82 3.946 9.918 -0.356 1.00 1.93 H new ATOM 0 HH TYR A 82 2.881 11.858 -0.751 1.00 0.81 H new ATOM 1282 N HIS A 83 -0.195 3.754 2.097 1.00 0.53 N ATOM 1283 CA HIS A 83 -0.351 2.329 2.415 1.00 0.59 C ATOM 1284 C HIS A 83 -1.759 1.804 2.071 1.00 0.57 C ATOM 1285 O HIS A 83 -2.647 2.587 1.730 1.00 0.61 O ATOM 1286 CB HIS A 83 -0.012 2.099 3.903 1.00 0.62 C ATOM 1287 CG HIS A 83 -0.901 2.846 4.860 1.00 0.59 C ATOM 1288 ND1 HIS A 83 -0.736 4.138 5.320 1.00 0.68 N ATOM 1289 CD2 HIS A 83 -2.029 2.348 5.450 1.00 0.60 C ATOM 1290 CE1 HIS A 83 -1.751 4.406 6.156 1.00 0.71 C ATOM 1291 NE2 HIS A 83 -2.555 3.341 6.274 1.00 0.67 N ATOM 0 H HIS A 83 -1.070 4.228 1.872 1.00 0.53 H new ATOM 0 HA HIS A 83 0.343 1.761 1.796 1.00 0.59 H new ATOM 0 HB2 HIS A 83 -0.079 1.033 4.119 1.00 0.62 H new ATOM 0 HB3 HIS A 83 1.022 2.395 4.079 1.00 0.62 H new ATOM 0 HD2 HIS A 83 -2.440 1.360 5.303 1.00 0.60 H new ATOM 0 HE1 HIS A 83 -1.899 5.348 6.663 1.00 0.71 H new ATOM 0 HE2 HIS A 83 -3.391 3.271 6.855 1.00 0.67 H new ATOM 1299 N PHE A 84 -1.978 0.491 2.209 1.00 0.59 N ATOM 1300 CA PHE A 84 -3.309 -0.116 2.141 1.00 0.62 C ATOM 1301 C PHE A 84 -3.826 -0.499 3.529 1.00 0.64 C ATOM 1302 O PHE A 84 -3.109 -1.126 4.317 1.00 0.78 O ATOM 1303 CB PHE A 84 -3.271 -1.369 1.261 1.00 0.74 C ATOM 1304 CG PHE A 84 -3.142 -1.110 -0.225 1.00 0.78 C ATOM 1305 CD1 PHE A 84 -4.160 -0.419 -0.906 1.00 2.14 C ATOM 1306 CD2 PHE A 84 -2.041 -1.614 -0.943 1.00 1.52 C ATOM 1307 CE1 PHE A 84 -4.088 -0.253 -2.298 1.00 2.19 C ATOM 1308 CE2 PHE A 84 -1.954 -1.412 -2.331 1.00 1.54 C ATOM 1309 CZ PHE A 84 -2.969 -0.718 -3.007 1.00 0.96 C ATOM 0 H PHE A 84 -1.230 -0.183 2.372 1.00 0.59 H new ATOM 0 HA PHE A 84 -3.984 0.625 1.712 1.00 0.62 H new ATOM 0 HB2 PHE A 84 -2.435 -1.991 1.579 1.00 0.74 H new ATOM 0 HB3 PHE A 84 -4.181 -1.944 1.436 1.00 0.74 H new ATOM 0 HD1 PHE A 84 -4.998 -0.016 -0.357 1.00 2.14 H new ATOM 0 HD2 PHE A 84 -1.263 -2.156 -0.427 1.00 1.52 H new ATOM 0 HE1 PHE A 84 -4.895 0.234 -2.825 1.00 2.19 H new ATOM 0 HE2 PHE A 84 -1.104 -1.792 -2.879 1.00 1.54 H new ATOM 0 HZ PHE A 84 -2.890 -0.542 -4.070 1.00 0.96 H new ATOM 1319 N MET A 85 -5.105 -0.209 3.777 1.00 0.60 N ATOM 1320 CA MET A 85 -5.873 -0.730 4.912 1.00 0.60 C ATOM 1321 C MET A 85 -6.682 -1.959 4.479 1.00 0.68 C ATOM 1322 O MET A 85 -7.502 -1.867 3.563 1.00 0.86 O ATOM 1323 CB MET A 85 -6.809 0.366 5.443 1.00 0.62 C ATOM 1324 CG MET A 85 -6.069 1.517 6.138 1.00 0.93 C ATOM 1325 SD MET A 85 -5.814 1.328 7.923 1.00 1.19 S ATOM 1326 CE MET A 85 -4.370 0.245 7.957 1.00 0.72 C ATOM 0 H MET A 85 -5.651 0.411 3.178 1.00 0.60 H new ATOM 0 HA MET A 85 -5.188 -1.029 5.706 1.00 0.60 H new ATOM 0 HB2 MET A 85 -7.393 0.767 4.615 1.00 0.62 H new ATOM 0 HB3 MET A 85 -7.515 -0.078 6.145 1.00 0.62 H new ATOM 0 HG2 MET A 85 -5.096 1.638 5.662 1.00 0.93 H new ATOM 0 HG3 MET A 85 -6.625 2.438 5.965 1.00 0.93 H new ATOM 0 HE1 MET A 85 -3.784 0.448 8.853 1.00 0.72 H new ATOM 0 HE2 MET A 85 -4.695 -0.795 7.965 1.00 0.72 H new ATOM 0 HE3 MET A 85 -3.758 0.427 7.074 1.00 0.72 H new ATOM 1336 N LEU A 86 -6.450 -3.106 5.132 1.00 0.62 N ATOM 1337 CA LEU A 86 -7.111 -4.376 4.812 1.00 0.67 C ATOM 1338 C LEU A 86 -8.316 -4.581 5.735 1.00 0.82 C ATOM 1339 O LEU A 86 -8.153 -4.848 6.924 1.00 1.01 O ATOM 1340 CB LEU A 86 -6.122 -5.562 4.920 1.00 0.79 C ATOM 1341 CG LEU A 86 -4.984 -5.658 3.878 1.00 0.92 C ATOM 1342 CD1 LEU A 86 -5.495 -5.507 2.440 1.00 2.62 C ATOM 1343 CD2 LEU A 86 -3.840 -4.665 4.127 1.00 1.83 C ATOM 0 H LEU A 86 -5.790 -3.177 5.906 1.00 0.62 H new ATOM 0 HA LEU A 86 -7.462 -4.336 3.781 1.00 0.67 H new ATOM 0 HB2 LEU A 86 -5.666 -5.527 5.909 1.00 0.79 H new ATOM 0 HB3 LEU A 86 -6.700 -6.484 4.868 1.00 0.79 H new ATOM 0 HG LEU A 86 -4.581 -6.663 4.004 1.00 0.92 H new ATOM 0 HD11 LEU A 86 -4.657 -5.582 1.746 1.00 2.62 H new ATOM 0 HD12 LEU A 86 -6.216 -6.296 2.225 1.00 2.62 H new ATOM 0 HD13 LEU A 86 -5.976 -4.536 2.325 1.00 2.62 H new ATOM 0 HD21 LEU A 86 -3.077 -4.788 3.358 1.00 1.83 H new ATOM 0 HD22 LEU A 86 -4.228 -3.647 4.093 1.00 1.83 H new ATOM 0 HD23 LEU A 86 -3.401 -4.854 5.107 1.00 1.83 H new ATOM 1355 N LEU A 87 -9.532 -4.463 5.190 1.00 0.99 N ATOM 1356 CA LEU A 87 -10.794 -4.538 5.944 1.00 1.22 C ATOM 1357 C LEU A 87 -11.449 -5.919 5.764 1.00 1.19 C ATOM 1358 O LEU A 87 -12.517 -6.064 5.163 1.00 1.94 O ATOM 1359 CB LEU A 87 -11.711 -3.354 5.552 1.00 1.32 C ATOM 1360 CG LEU A 87 -11.460 -2.003 6.258 1.00 1.54 C ATOM 1361 CD1 LEU A 87 -11.716 -2.071 7.771 1.00 1.30 C ATOM 1362 CD2 LEU A 87 -10.051 -1.460 6.002 1.00 2.88 C ATOM 0 H LEU A 87 -9.672 -4.309 4.191 1.00 0.99 H new ATOM 0 HA LEU A 87 -10.600 -4.439 7.012 1.00 1.22 H new ATOM 0 HB2 LEU A 87 -11.618 -3.196 4.478 1.00 1.32 H new ATOM 0 HB3 LEU A 87 -12.743 -3.648 5.743 1.00 1.32 H new ATOM 0 HG LEU A 87 -12.181 -1.314 5.818 1.00 1.54 H new ATOM 0 HD11 LEU A 87 -11.524 -1.095 8.217 1.00 1.30 H new ATOM 0 HD12 LEU A 87 -12.752 -2.356 7.952 1.00 1.30 H new ATOM 0 HD13 LEU A 87 -11.053 -2.811 8.219 1.00 1.30 H new ATOM 0 HD21 LEU A 87 -9.928 -0.509 6.521 1.00 2.88 H new ATOM 0 HD22 LEU A 87 -9.314 -2.173 6.371 1.00 2.88 H new ATOM 0 HD23 LEU A 87 -9.907 -1.311 4.932 1.00 2.88 H new ATOM 1374 N GLY A 88 -10.777 -6.949 6.281 1.00 1.03 N ATOM 1375 CA GLY A 88 -11.107 -8.368 6.091 1.00 1.15 C ATOM 1376 C GLY A 88 -9.872 -9.175 5.699 1.00 1.26 C ATOM 1377 O GLY A 88 -9.358 -8.982 4.602 1.00 2.06 O ATOM 0 H GLY A 88 -9.954 -6.815 6.868 1.00 1.03 H new ATOM 0 HA2 GLY A 88 -11.531 -8.771 7.010 1.00 1.15 H new ATOM 0 HA3 GLY A 88 -11.869 -8.466 5.318 1.00 1.15 H new ATOM 1381 N LEU A 89 -9.421 -10.090 6.561 1.00 0.84 N ATOM 1382 CA LEU A 89 -8.328 -11.038 6.287 1.00 0.79 C ATOM 1383 C LEU A 89 -8.873 -12.444 5.992 1.00 0.90 C ATOM 1384 O LEU A 89 -9.962 -12.803 6.426 1.00 1.51 O ATOM 1385 CB LEU A 89 -7.332 -11.070 7.465 1.00 0.82 C ATOM 1386 CG LEU A 89 -6.645 -9.726 7.795 1.00 0.74 C ATOM 1387 CD1 LEU A 89 -5.608 -9.955 8.904 1.00 0.89 C ATOM 1388 CD2 LEU A 89 -5.951 -9.092 6.577 1.00 0.99 C ATOM 0 H LEU A 89 -9.814 -10.198 7.496 1.00 0.84 H new ATOM 0 HA LEU A 89 -7.798 -10.695 5.398 1.00 0.79 H new ATOM 0 HB2 LEU A 89 -7.859 -11.416 8.354 1.00 0.82 H new ATOM 0 HB3 LEU A 89 -6.560 -11.808 7.245 1.00 0.82 H new ATOM 0 HG LEU A 89 -7.423 -9.034 8.118 1.00 0.74 H new ATOM 0 HD11 LEU A 89 -5.118 -9.012 9.144 1.00 0.89 H new ATOM 0 HD12 LEU A 89 -6.106 -10.342 9.793 1.00 0.89 H new ATOM 0 HD13 LEU A 89 -4.864 -10.675 8.563 1.00 0.89 H new ATOM 0 HD21 LEU A 89 -5.487 -8.151 6.872 1.00 0.99 H new ATOM 0 HD22 LEU A 89 -5.186 -9.771 6.200 1.00 0.99 H new ATOM 0 HD23 LEU A 89 -6.687 -8.904 5.795 1.00 0.99 H new ATOM 1400 N LYS A 90 -8.108 -13.242 5.245 1.00 0.97 N ATOM 1401 CA LYS A 90 -8.437 -14.627 4.862 1.00 1.05 C ATOM 1402 C LYS A 90 -7.327 -15.624 5.254 1.00 1.21 C ATOM 1403 O LYS A 90 -7.621 -16.790 5.510 1.00 1.19 O ATOM 1404 CB LYS A 90 -8.700 -14.699 3.344 1.00 1.12 C ATOM 1405 CG LYS A 90 -9.734 -13.699 2.796 1.00 0.79 C ATOM 1406 CD LYS A 90 -11.167 -13.903 3.310 1.00 2.06 C ATOM 1407 CE LYS A 90 -12.075 -12.710 2.969 1.00 2.31 C ATOM 1408 NZ LYS A 90 -12.399 -12.590 1.528 1.00 1.61 N ATOM 0 H LYS A 90 -7.209 -12.936 4.874 1.00 0.97 H new ATOM 0 HA LYS A 90 -9.335 -14.914 5.409 1.00 1.05 H new ATOM 0 HB2 LYS A 90 -7.756 -14.539 2.823 1.00 1.12 H new ATOM 0 HB3 LYS A 90 -9.033 -15.708 3.099 1.00 1.12 H new ATOM 0 HG2 LYS A 90 -9.412 -12.689 3.052 1.00 0.79 H new ATOM 0 HG3 LYS A 90 -9.741 -13.766 1.708 1.00 0.79 H new ATOM 0 HD2 LYS A 90 -11.583 -14.812 2.874 1.00 2.06 H new ATOM 0 HD3 LYS A 90 -11.148 -14.047 4.390 1.00 2.06 H new ATOM 0 HE2 LYS A 90 -13.003 -12.801 3.533 1.00 2.31 H new ATOM 0 HE3 LYS A 90 -11.590 -11.792 3.299 1.00 2.31 H new ATOM 0 HZ1 LYS A 90 -13.210 -11.951 1.407 1.00 1.61 H new ATOM 0 HZ2 LYS A 90 -11.577 -12.207 1.018 1.00 1.61 H new ATOM 0 HZ3 LYS A 90 -12.637 -13.528 1.146 1.00 1.61 H new ATOM 1422 N ARG A 91 -6.071 -15.167 5.350 1.00 1.55 N ATOM 1423 CA ARG A 91 -5.001 -15.867 6.070 1.00 1.73 C ATOM 1424 C ARG A 91 -4.508 -14.981 7.220 1.00 1.50 C ATOM 1425 O ARG A 91 -4.220 -13.808 6.970 1.00 1.46 O ATOM 1426 CB ARG A 91 -3.818 -16.211 5.145 1.00 2.02 C ATOM 1427 CG ARG A 91 -4.197 -17.250 4.082 1.00 2.14 C ATOM 1428 CD ARG A 91 -2.956 -17.852 3.409 1.00 2.48 C ATOM 1429 NE ARG A 91 -3.356 -18.871 2.420 1.00 3.07 N ATOM 1430 CZ ARG A 91 -2.586 -19.828 1.913 1.00 4.02 C ATOM 1431 NH1 ARG A 91 -1.318 -19.956 2.229 1.00 4.75 N ATOM 1432 NH2 ARG A 91 -3.101 -20.694 1.065 1.00 4.88 N ATOM 0 H ARG A 91 -5.767 -14.291 4.925 1.00 1.55 H new ATOM 0 HA ARG A 91 -5.407 -16.803 6.454 1.00 1.73 H new ATOM 0 HB2 ARG A 91 -3.467 -15.303 4.654 1.00 2.02 H new ATOM 0 HB3 ARG A 91 -2.990 -16.591 5.743 1.00 2.02 H new ATOM 0 HG2 ARG A 91 -4.783 -18.045 4.543 1.00 2.14 H new ATOM 0 HG3 ARG A 91 -4.830 -16.784 3.327 1.00 2.14 H new ATOM 0 HD2 ARG A 91 -2.381 -17.066 2.920 1.00 2.48 H new ATOM 0 HD3 ARG A 91 -2.307 -18.300 4.161 1.00 2.48 H new ATOM 0 HE ARG A 91 -4.321 -18.838 2.092 1.00 3.07 H new ATOM 0 HH11 ARG A 91 -0.888 -19.306 2.887 1.00 4.75 H new ATOM 0 HH12 ARG A 91 -0.763 -20.705 1.816 1.00 4.75 H new ATOM 0 HH21 ARG A 91 -4.084 -20.627 0.802 1.00 4.88 H new ATOM 0 HH22 ARG A 91 -2.517 -21.432 0.671 1.00 4.88 H new ATOM 1446 N PRO A 92 -4.367 -15.507 8.452 1.00 1.42 N ATOM 1447 CA PRO A 92 -3.522 -14.872 9.444 1.00 1.31 C ATOM 1448 C PRO A 92 -2.079 -15.039 8.972 1.00 1.33 C ATOM 1449 O PRO A 92 -1.639 -16.150 8.682 1.00 1.55 O ATOM 1450 CB PRO A 92 -3.803 -15.591 10.757 1.00 1.38 C ATOM 1451 CG PRO A 92 -4.217 -16.998 10.319 1.00 1.50 C ATOM 1452 CD PRO A 92 -4.856 -16.790 8.944 1.00 1.57 C ATOM 0 HA PRO A 92 -3.707 -13.807 9.581 1.00 1.31 H new ATOM 0 HB2 PRO A 92 -2.921 -15.614 11.397 1.00 1.38 H new ATOM 0 HB3 PRO A 92 -4.594 -15.098 11.322 1.00 1.38 H new ATOM 0 HG2 PRO A 92 -3.358 -17.666 10.262 1.00 1.50 H new ATOM 0 HG3 PRO A 92 -4.921 -17.443 11.022 1.00 1.50 H new ATOM 0 HD2 PRO A 92 -4.583 -17.596 8.263 1.00 1.57 H new ATOM 0 HD3 PRO A 92 -5.944 -16.789 9.017 1.00 1.57 H new ATOM 1460 N LEU A 93 -1.381 -13.911 8.849 1.00 1.34 N ATOM 1461 CA LEU A 93 -0.150 -13.765 8.070 1.00 1.44 C ATOM 1462 C LEU A 93 0.987 -14.595 8.675 1.00 1.68 C ATOM 1463 O LEU A 93 1.352 -14.392 9.832 1.00 1.92 O ATOM 1464 CB LEU A 93 0.235 -12.264 7.997 1.00 1.41 C ATOM 1465 CG LEU A 93 -0.650 -11.326 7.142 1.00 1.38 C ATOM 1466 CD1 LEU A 93 -0.925 -11.878 5.735 1.00 1.77 C ATOM 1467 CD2 LEU A 93 -1.970 -10.945 7.831 1.00 1.84 C ATOM 0 H LEU A 93 -1.666 -13.044 9.304 1.00 1.34 H new ATOM 0 HA LEU A 93 -0.321 -14.139 7.061 1.00 1.44 H new ATOM 0 HB2 LEU A 93 0.249 -11.873 9.015 1.00 1.41 H new ATOM 0 HB3 LEU A 93 1.254 -12.199 7.617 1.00 1.41 H new ATOM 0 HG LEU A 93 -0.059 -10.416 7.034 1.00 1.38 H new ATOM 0 HD11 LEU A 93 -1.551 -11.175 5.184 1.00 1.77 H new ATOM 0 HD12 LEU A 93 0.019 -12.015 5.207 1.00 1.77 H new ATOM 0 HD13 LEU A 93 -1.439 -12.836 5.814 1.00 1.77 H new ATOM 0 HD21 LEU A 93 -2.544 -10.286 7.179 1.00 1.84 H new ATOM 0 HD22 LEU A 93 -2.547 -11.847 8.035 1.00 1.84 H new ATOM 0 HD23 LEU A 93 -1.756 -10.431 8.768 1.00 1.84 H new ATOM 1479 N LYS A 94 1.585 -15.524 7.923 1.00 1.83 N ATOM 1480 CA LYS A 94 2.789 -16.223 8.386 1.00 2.10 C ATOM 1481 C LYS A 94 4.029 -15.437 7.987 1.00 1.97 C ATOM 1482 O LYS A 94 4.249 -15.125 6.819 1.00 2.34 O ATOM 1483 CB LYS A 94 2.896 -17.660 7.841 1.00 2.54 C ATOM 1484 CG LYS A 94 2.043 -18.716 8.555 1.00 2.40 C ATOM 1485 CD LYS A 94 0.605 -18.239 8.767 1.00 3.18 C ATOM 1486 CE LYS A 94 -0.364 -19.358 9.149 1.00 3.98 C ATOM 1487 NZ LYS A 94 -0.040 -19.933 10.474 1.00 4.72 N ATOM 0 H LYS A 94 1.259 -15.808 6.999 1.00 1.83 H new ATOM 0 HA LYS A 94 2.715 -16.293 9.471 1.00 2.10 H new ATOM 0 HB2 LYS A 94 2.618 -17.649 6.787 1.00 2.54 H new ATOM 0 HB3 LYS A 94 3.940 -17.970 7.892 1.00 2.54 H new ATOM 0 HG2 LYS A 94 2.038 -19.635 7.969 1.00 2.40 H new ATOM 0 HG3 LYS A 94 2.492 -18.955 9.519 1.00 2.40 H new ATOM 0 HD2 LYS A 94 0.595 -17.479 9.549 1.00 3.18 H new ATOM 0 HD3 LYS A 94 0.252 -17.761 7.853 1.00 3.18 H new ATOM 0 HE2 LYS A 94 -1.382 -18.970 9.160 1.00 3.98 H new ATOM 0 HE3 LYS A 94 -0.330 -20.143 8.393 1.00 3.98 H new ATOM 0 HZ1 LYS A 94 -0.718 -20.689 10.700 1.00 4.72 H new ATOM 0 HZ2 LYS A 94 0.923 -20.326 10.456 1.00 4.72 H new ATOM 0 HZ3 LYS A 94 -0.097 -19.189 11.199 1.00 4.72 H new ATOM 1501 N ALA A 95 4.910 -15.247 8.960 1.00 1.79 N ATOM 1502 CA ALA A 95 6.323 -15.042 8.647 1.00 1.87 C ATOM 1503 C ALA A 95 6.801 -16.246 7.805 1.00 1.89 C ATOM 1504 O ALA A 95 6.675 -17.384 8.256 1.00 1.93 O ATOM 1505 CB ALA A 95 7.100 -14.870 9.959 1.00 2.02 C ATOM 0 H ALA A 95 4.681 -15.230 9.954 1.00 1.79 H new ATOM 0 HA ALA A 95 6.492 -14.139 8.061 1.00 1.87 H new ATOM 0 HB1 ALA A 95 8.156 -14.716 9.739 1.00 2.02 H new ATOM 0 HB2 ALA A 95 6.713 -14.007 10.501 1.00 2.02 H new ATOM 0 HB3 ALA A 95 6.983 -15.765 10.571 1.00 2.02 H new ATOM 1511 N GLY A 96 7.264 -15.999 6.574 1.00 1.98 N ATOM 1512 CA GLY A 96 7.572 -17.050 5.589 1.00 2.12 C ATOM 1513 C GLY A 96 6.489 -17.285 4.524 1.00 2.06 C ATOM 1514 O GLY A 96 6.715 -18.095 3.629 1.00 2.63 O ATOM 0 H GLY A 96 7.438 -15.056 6.227 1.00 1.98 H new ATOM 0 HA2 GLY A 96 8.504 -16.793 5.086 1.00 2.12 H new ATOM 0 HA3 GLY A 96 7.745 -17.985 6.121 1.00 2.12 H new ATOM 1518 N GLU A 97 5.355 -16.572 4.569 1.00 1.60 N ATOM 1519 CA GLU A 97 4.507 -16.358 3.390 1.00 1.50 C ATOM 1520 C GLU A 97 4.917 -15.072 2.658 1.00 1.21 C ATOM 1521 O GLU A 97 5.388 -14.090 3.245 1.00 1.04 O ATOM 1522 CB GLU A 97 3.002 -16.302 3.730 1.00 1.60 C ATOM 1523 CG GLU A 97 2.413 -17.690 4.036 1.00 2.32 C ATOM 1524 CD GLU A 97 0.948 -17.665 4.508 1.00 2.15 C ATOM 1525 OE1 GLU A 97 0.627 -16.972 5.500 1.00 2.31 O ATOM 1526 OE2 GLU A 97 0.131 -18.403 3.908 1.00 3.16 O ATOM 0 H GLU A 97 5.002 -16.130 5.418 1.00 1.60 H new ATOM 0 HA GLU A 97 4.661 -17.221 2.742 1.00 1.50 H new ATOM 0 HB2 GLU A 97 2.852 -15.650 4.590 1.00 1.60 H new ATOM 0 HB3 GLU A 97 2.461 -15.858 2.895 1.00 1.60 H new ATOM 0 HG2 GLU A 97 2.484 -18.308 3.141 1.00 2.32 H new ATOM 0 HG3 GLU A 97 3.022 -18.169 4.803 1.00 2.32 H new ATOM 1533 N GLU A 98 4.662 -15.109 1.357 1.00 1.40 N ATOM 1534 CA GLU A 98 4.766 -14.014 0.404 1.00 1.41 C ATOM 1535 C GLU A 98 3.329 -13.716 -0.033 1.00 1.36 C ATOM 1536 O GLU A 98 2.595 -14.610 -0.459 1.00 1.85 O ATOM 1537 CB GLU A 98 5.630 -14.442 -0.799 1.00 1.76 C ATOM 1538 CG GLU A 98 5.938 -13.303 -1.791 1.00 3.30 C ATOM 1539 CD GLU A 98 6.954 -12.267 -1.292 1.00 4.54 C ATOM 1540 OE1 GLU A 98 7.570 -12.510 -0.234 1.00 4.88 O ATOM 1541 OE2 GLU A 98 7.098 -11.217 -1.958 1.00 5.98 O ATOM 0 H GLU A 98 4.354 -15.971 0.907 1.00 1.40 H new ATOM 0 HA GLU A 98 5.240 -13.133 0.837 1.00 1.41 H new ATOM 0 HB2 GLU A 98 6.570 -14.852 -0.430 1.00 1.76 H new ATOM 0 HB3 GLU A 98 5.120 -15.245 -1.331 1.00 1.76 H new ATOM 0 HG2 GLU A 98 6.311 -13.739 -2.718 1.00 3.30 H new ATOM 0 HG3 GLU A 98 5.007 -12.790 -2.033 1.00 3.30 H new ATOM 1548 N VAL A 99 2.903 -12.469 0.112 1.00 0.97 N ATOM 1549 CA VAL A 99 1.548 -12.007 -0.196 1.00 0.82 C ATOM 1550 C VAL A 99 1.511 -11.548 -1.647 1.00 0.83 C ATOM 1551 O VAL A 99 1.943 -10.442 -1.966 1.00 1.04 O ATOM 1552 CB VAL A 99 1.094 -10.881 0.761 1.00 0.77 C ATOM 1553 CG1 VAL A 99 -0.298 -10.330 0.388 1.00 0.72 C ATOM 1554 CG2 VAL A 99 1.046 -11.407 2.205 1.00 0.87 C ATOM 0 H VAL A 99 3.507 -11.724 0.458 1.00 0.97 H new ATOM 0 HA VAL A 99 0.848 -12.830 -0.053 1.00 0.82 H new ATOM 0 HB VAL A 99 1.819 -10.072 0.672 1.00 0.77 H new ATOM 0 HG11 VAL A 99 -0.576 -9.541 1.087 1.00 0.72 H new ATOM 0 HG12 VAL A 99 -0.270 -9.925 -0.624 1.00 0.72 H new ATOM 0 HG13 VAL A 99 -1.033 -11.134 0.437 1.00 0.72 H new ATOM 0 HG21 VAL A 99 0.725 -10.608 2.873 1.00 0.87 H new ATOM 0 HG22 VAL A 99 0.341 -12.236 2.267 1.00 0.87 H new ATOM 0 HG23 VAL A 99 2.037 -11.751 2.500 1.00 0.87 H new ATOM 1564 N GLU A 100 0.946 -12.390 -2.513 1.00 0.82 N ATOM 1565 CA GLU A 100 0.524 -11.973 -3.851 1.00 0.80 C ATOM 1566 C GLU A 100 -0.536 -10.870 -3.760 1.00 0.66 C ATOM 1567 O GLU A 100 -1.409 -10.895 -2.888 1.00 0.77 O ATOM 1568 CB GLU A 100 -0.100 -13.120 -4.650 1.00 0.97 C ATOM 1569 CG GLU A 100 0.837 -14.267 -5.047 1.00 1.26 C ATOM 1570 CD GLU A 100 0.211 -15.067 -6.188 1.00 1.83 C ATOM 1571 OE1 GLU A 100 -1.035 -15.098 -6.301 1.00 2.40 O ATOM 1572 OE2 GLU A 100 0.931 -15.512 -7.105 1.00 2.82 O ATOM 0 H GLU A 100 0.769 -13.374 -2.309 1.00 0.82 H new ATOM 0 HA GLU A 100 1.426 -11.623 -4.353 1.00 0.80 H new ATOM 0 HB2 GLU A 100 -0.920 -13.536 -4.065 1.00 0.97 H new ATOM 0 HB3 GLU A 100 -0.535 -12.705 -5.559 1.00 0.97 H new ATOM 0 HG2 GLU A 100 1.804 -13.870 -5.355 1.00 1.26 H new ATOM 0 HG3 GLU A 100 1.017 -14.916 -4.190 1.00 1.26 H new ATOM 1579 N LEU A 101 -0.506 -9.933 -4.707 1.00 0.70 N ATOM 1580 CA LEU A 101 -1.425 -8.801 -4.772 1.00 0.72 C ATOM 1581 C LEU A 101 -1.477 -8.234 -6.200 1.00 0.74 C ATOM 1582 O LEU A 101 -0.450 -8.028 -6.841 1.00 0.79 O ATOM 1583 CB LEU A 101 -0.990 -7.809 -3.671 1.00 0.83 C ATOM 1584 CG LEU A 101 -1.824 -6.552 -3.433 1.00 1.39 C ATOM 1585 CD1 LEU A 101 -1.395 -5.893 -2.113 1.00 1.59 C ATOM 1586 CD2 LEU A 101 -1.658 -5.564 -4.590 1.00 2.04 C ATOM 0 H LEU A 101 0.174 -9.942 -5.467 1.00 0.70 H new ATOM 0 HA LEU A 101 -2.459 -9.079 -4.570 1.00 0.72 H new ATOM 0 HB2 LEU A 101 -0.949 -8.359 -2.731 1.00 0.83 H new ATOM 0 HB3 LEU A 101 0.027 -7.490 -3.899 1.00 0.83 H new ATOM 0 HG LEU A 101 -2.875 -6.835 -3.374 1.00 1.39 H new ATOM 0 HD11 LEU A 101 -1.991 -4.996 -1.944 1.00 1.59 H new ATOM 0 HD12 LEU A 101 -1.549 -6.592 -1.291 1.00 1.59 H new ATOM 0 HD13 LEU A 101 -0.340 -5.623 -2.167 1.00 1.59 H new ATOM 0 HD21 LEU A 101 -2.261 -4.676 -4.400 1.00 2.04 H new ATOM 0 HD22 LEU A 101 -0.610 -5.279 -4.677 1.00 2.04 H new ATOM 0 HD23 LEU A 101 -1.985 -6.032 -5.518 1.00 2.04 H new ATOM 1598 N ASP A 102 -2.684 -8.000 -6.703 1.00 0.74 N ATOM 1599 CA ASP A 102 -2.992 -7.444 -8.022 1.00 0.74 C ATOM 1600 C ASP A 102 -3.232 -5.928 -7.915 1.00 0.77 C ATOM 1601 O ASP A 102 -4.214 -5.484 -7.319 1.00 0.79 O ATOM 1602 CB ASP A 102 -4.253 -8.156 -8.548 1.00 0.85 C ATOM 1603 CG ASP A 102 -4.070 -9.134 -9.703 1.00 1.33 C ATOM 1604 OD1 ASP A 102 -2.932 -9.382 -10.152 1.00 2.04 O ATOM 1605 OD2 ASP A 102 -5.135 -9.633 -10.140 1.00 2.26 O ATOM 0 H ASP A 102 -3.529 -8.205 -6.169 1.00 0.74 H new ATOM 0 HA ASP A 102 -2.159 -7.600 -8.708 1.00 0.74 H new ATOM 0 HB2 ASP A 102 -4.708 -8.696 -7.717 1.00 0.85 H new ATOM 0 HB3 ASP A 102 -4.966 -7.393 -8.861 1.00 0.85 H new ATOM 1610 N LEU A 103 -2.334 -5.127 -8.490 1.00 0.87 N ATOM 1611 CA LEU A 103 -2.374 -3.664 -8.469 1.00 0.86 C ATOM 1612 C LEU A 103 -3.432 -3.156 -9.449 1.00 0.91 C ATOM 1613 O LEU A 103 -3.302 -3.382 -10.651 1.00 1.05 O ATOM 1614 CB LEU A 103 -0.993 -3.119 -8.876 1.00 1.08 C ATOM 1615 CG LEU A 103 0.179 -3.492 -7.955 1.00 1.18 C ATOM 1616 CD1 LEU A 103 1.476 -2.952 -8.570 1.00 1.66 C ATOM 1617 CD2 LEU A 103 0.017 -2.939 -6.533 1.00 1.26 C ATOM 0 H LEU A 103 -1.530 -5.492 -9.001 1.00 0.87 H new ATOM 0 HA LEU A 103 -2.628 -3.322 -7.466 1.00 0.86 H new ATOM 0 HB2 LEU A 103 -0.766 -3.475 -9.881 1.00 1.08 H new ATOM 0 HB3 LEU A 103 -1.055 -2.032 -8.929 1.00 1.08 H new ATOM 0 HG LEU A 103 0.205 -4.578 -7.871 1.00 1.18 H new ATOM 0 HD11 LEU A 103 2.318 -3.209 -7.927 1.00 1.66 H new ATOM 0 HD12 LEU A 103 1.623 -3.394 -9.555 1.00 1.66 H new ATOM 0 HD13 LEU A 103 1.410 -1.868 -8.665 1.00 1.66 H new ATOM 0 HD21 LEU A 103 0.874 -3.234 -5.928 1.00 1.26 H new ATOM 0 HD22 LEU A 103 -0.044 -1.851 -6.570 1.00 1.26 H new ATOM 0 HD23 LEU A 103 -0.895 -3.338 -6.089 1.00 1.26 H new ATOM 1629 N LEU A 104 -4.459 -2.453 -8.958 1.00 0.85 N ATOM 1630 CA LEU A 104 -5.521 -1.909 -9.810 1.00 0.87 C ATOM 1631 C LEU A 104 -5.084 -0.546 -10.357 1.00 0.80 C ATOM 1632 O LEU A 104 -4.903 0.398 -9.582 1.00 0.78 O ATOM 1633 CB LEU A 104 -6.847 -1.785 -9.029 1.00 0.82 C ATOM 1634 CG LEU A 104 -7.333 -3.025 -8.265 1.00 0.86 C ATOM 1635 CD1 LEU A 104 -8.713 -2.751 -7.650 1.00 0.87 C ATOM 1636 CD2 LEU A 104 -7.390 -4.290 -9.130 1.00 0.99 C ATOM 0 H LEU A 104 -4.577 -2.247 -7.966 1.00 0.85 H new ATOM 0 HA LEU A 104 -5.693 -2.592 -10.642 1.00 0.87 H new ATOM 0 HB2 LEU A 104 -6.743 -0.968 -8.315 1.00 0.82 H new ATOM 0 HB3 LEU A 104 -7.627 -1.495 -9.733 1.00 0.82 H new ATOM 0 HG LEU A 104 -6.599 -3.216 -7.482 1.00 0.86 H new ATOM 0 HD11 LEU A 104 -9.052 -3.635 -7.109 1.00 0.87 H new ATOM 0 HD12 LEU A 104 -8.644 -1.909 -6.962 1.00 0.87 H new ATOM 0 HD13 LEU A 104 -9.424 -2.515 -8.442 1.00 0.87 H new ATOM 0 HD21 LEU A 104 -7.741 -5.127 -8.527 1.00 0.99 H new ATOM 0 HD22 LEU A 104 -8.074 -4.130 -9.963 1.00 0.99 H new ATOM 0 HD23 LEU A 104 -6.395 -4.513 -9.515 1.00 0.99 H new ATOM 1648 N PHE A 105 -4.942 -0.414 -11.677 1.00 0.75 N ATOM 1649 CA PHE A 105 -4.503 0.835 -12.297 1.00 0.71 C ATOM 1650 C PHE A 105 -5.565 1.461 -13.210 1.00 0.73 C ATOM 1651 O PHE A 105 -5.953 0.874 -14.219 1.00 0.89 O ATOM 1652 CB PHE A 105 -3.240 0.619 -13.124 1.00 0.80 C ATOM 1653 CG PHE A 105 -1.998 0.206 -12.369 1.00 0.80 C ATOM 1654 CD1 PHE A 105 -1.242 1.176 -11.687 1.00 1.72 C ATOM 1655 CD2 PHE A 105 -1.542 -1.121 -12.435 1.00 2.34 C ATOM 1656 CE1 PHE A 105 -0.021 0.829 -11.088 1.00 1.68 C ATOM 1657 CE2 PHE A 105 -0.312 -1.463 -11.854 1.00 2.41 C ATOM 1658 CZ PHE A 105 0.448 -0.491 -11.182 1.00 0.95 C ATOM 0 H PHE A 105 -5.127 -1.165 -12.342 1.00 0.75 H new ATOM 0 HA PHE A 105 -4.312 1.518 -11.469 1.00 0.71 H new ATOM 0 HB2 PHE A 105 -3.451 -0.142 -13.875 1.00 0.80 H new ATOM 0 HB3 PHE A 105 -3.021 1.543 -13.659 1.00 0.80 H new ATOM 0 HD1 PHE A 105 -1.602 2.192 -11.624 1.00 1.72 H new ATOM 0 HD2 PHE A 105 -2.136 -1.875 -12.931 1.00 2.34 H new ATOM 0 HE1 PHE A 105 0.555 1.573 -10.558 1.00 1.68 H new ATOM 0 HE2 PHE A 105 0.052 -2.477 -11.923 1.00 2.41 H new ATOM 0 HZ PHE A 105 1.395 -0.760 -10.737 1.00 0.95 H new ATOM 1668 N ALA A 106 -5.946 2.698 -12.884 1.00 0.83 N ATOM 1669 CA ALA A 106 -6.786 3.618 -13.670 1.00 0.80 C ATOM 1670 C ALA A 106 -8.028 2.987 -14.348 1.00 1.75 C ATOM 1671 O ALA A 106 -8.446 3.433 -15.418 1.00 2.54 O ATOM 1672 CB ALA A 106 -5.879 4.361 -14.661 1.00 1.17 C ATOM 0 H ALA A 106 -5.657 3.118 -12.000 1.00 0.83 H new ATOM 0 HA ALA A 106 -7.244 4.316 -12.970 1.00 0.80 H new ATOM 0 HB1 ALA A 106 -6.478 5.050 -15.256 1.00 1.17 H new ATOM 0 HB2 ALA A 106 -5.121 4.920 -14.112 1.00 1.17 H new ATOM 0 HB3 ALA A 106 -5.393 3.641 -15.319 1.00 1.17 H new ATOM 1678 N GLY A 107 -8.579 1.916 -13.766 1.00 2.30 N ATOM 1679 CA GLY A 107 -9.612 1.069 -14.373 1.00 3.27 C ATOM 1680 C GLY A 107 -9.037 0.086 -15.399 1.00 2.72 C ATOM 1681 O GLY A 107 -9.139 -1.122 -15.207 1.00 3.70 O ATOM 0 H GLY A 107 -8.311 1.606 -12.832 1.00 2.30 H new ATOM 0 HA2 GLY A 107 -10.127 0.512 -13.590 1.00 3.27 H new ATOM 0 HA3 GLY A 107 -10.357 1.701 -14.857 1.00 3.27 H new ATOM 1685 N GLY A 108 -8.428 0.596 -16.475 1.00 1.71 N ATOM 1686 CA GLY A 108 -8.060 -0.167 -17.682 1.00 1.70 C ATOM 1687 C GLY A 108 -6.881 -1.143 -17.557 1.00 1.55 C ATOM 1688 O GLY A 108 -6.496 -1.763 -18.552 1.00 1.91 O ATOM 0 H GLY A 108 -8.168 1.580 -16.536 1.00 1.71 H new ATOM 0 HA2 GLY A 108 -8.934 -0.732 -18.006 1.00 1.70 H new ATOM 0 HA3 GLY A 108 -7.829 0.544 -18.475 1.00 1.70 H new ATOM 1692 N LYS A 109 -6.280 -1.299 -16.372 1.00 1.32 N ATOM 1693 CA LYS A 109 -5.192 -2.233 -16.105 1.00 1.38 C ATOM 1694 C LYS A 109 -5.300 -2.871 -14.711 1.00 1.35 C ATOM 1695 O LYS A 109 -5.692 -2.229 -13.743 1.00 1.32 O ATOM 1696 CB LYS A 109 -3.870 -1.454 -16.232 1.00 1.29 C ATOM 1697 CG LYS A 109 -3.182 -1.583 -17.594 1.00 1.67 C ATOM 1698 CD LYS A 109 -2.405 -2.897 -17.761 1.00 2.71 C ATOM 1699 CE LYS A 109 -1.672 -2.923 -19.112 1.00 4.01 C ATOM 1700 NZ LYS A 109 -2.605 -3.058 -20.263 1.00 5.01 N ATOM 0 H LYS A 109 -6.550 -0.759 -15.550 1.00 1.32 H new ATOM 0 HA LYS A 109 -5.239 -3.052 -16.823 1.00 1.38 H new ATOM 0 HB2 LYS A 109 -4.065 -0.400 -16.037 1.00 1.29 H new ATOM 0 HB3 LYS A 109 -3.184 -1.800 -15.459 1.00 1.29 H new ATOM 0 HG2 LYS A 109 -3.933 -1.511 -18.381 1.00 1.67 H new ATOM 0 HG3 LYS A 109 -2.498 -0.745 -17.728 1.00 1.67 H new ATOM 0 HD2 LYS A 109 -1.686 -3.007 -16.949 1.00 2.71 H new ATOM 0 HD3 LYS A 109 -3.090 -3.742 -17.696 1.00 2.71 H new ATOM 0 HE2 LYS A 109 -1.091 -2.007 -19.224 1.00 4.01 H new ATOM 0 HE3 LYS A 109 -0.965 -3.752 -19.122 1.00 4.01 H new ATOM 0 HZ1 LYS A 109 -2.060 -3.122 -21.146 1.00 5.01 H new ATOM 0 HZ2 LYS A 109 -3.178 -3.918 -20.147 1.00 5.01 H new ATOM 0 HZ3 LYS A 109 -3.231 -2.228 -20.302 1.00 5.01 H new ATOM 1714 N VAL A 110 -4.822 -4.108 -14.601 1.00 1.43 N ATOM 1715 CA VAL A 110 -4.483 -4.786 -13.353 1.00 1.33 C ATOM 1716 C VAL A 110 -3.277 -5.697 -13.588 1.00 1.49 C ATOM 1717 O VAL A 110 -3.183 -6.286 -14.667 1.00 1.72 O ATOM 1718 CB VAL A 110 -5.697 -5.529 -12.762 1.00 1.33 C ATOM 1719 CG1 VAL A 110 -6.354 -6.511 -13.746 1.00 1.56 C ATOM 1720 CG2 VAL A 110 -5.356 -6.264 -11.459 1.00 1.24 C ATOM 0 H VAL A 110 -4.652 -4.693 -15.419 1.00 1.43 H new ATOM 0 HA VAL A 110 -4.204 -4.048 -12.601 1.00 1.33 H new ATOM 0 HB VAL A 110 -6.419 -4.741 -12.546 1.00 1.33 H new ATOM 0 HG11 VAL A 110 -7.201 -6.998 -13.263 1.00 1.56 H new ATOM 0 HG12 VAL A 110 -6.701 -5.968 -14.625 1.00 1.56 H new ATOM 0 HG13 VAL A 110 -5.627 -7.264 -14.048 1.00 1.56 H new ATOM 0 HG21 VAL A 110 -6.245 -6.771 -11.084 1.00 1.24 H new ATOM 0 HG22 VAL A 110 -4.573 -6.998 -11.649 1.00 1.24 H new ATOM 0 HG23 VAL A 110 -5.007 -5.546 -10.717 1.00 1.24 H new ATOM 1730 N LEU A 111 -2.336 -5.740 -12.639 1.00 1.42 N ATOM 1731 CA LEU A 111 -1.060 -6.463 -12.758 1.00 1.55 C ATOM 1732 C LEU A 111 -0.630 -7.048 -11.404 1.00 1.28 C ATOM 1733 O LEU A 111 -0.645 -6.341 -10.397 1.00 1.30 O ATOM 1734 CB LEU A 111 0.044 -5.509 -13.270 1.00 1.81 C ATOM 1735 CG LEU A 111 -0.147 -4.922 -14.686 1.00 2.19 C ATOM 1736 CD1 LEU A 111 0.910 -3.841 -14.955 1.00 2.43 C ATOM 1737 CD2 LEU A 111 -0.042 -5.998 -15.779 1.00 2.56 C ATOM 0 H LEU A 111 -2.441 -5.262 -11.744 1.00 1.42 H new ATOM 0 HA LEU A 111 -1.202 -7.279 -13.466 1.00 1.55 H new ATOM 0 HB2 LEU A 111 0.130 -4.680 -12.567 1.00 1.81 H new ATOM 0 HB3 LEU A 111 0.993 -6.045 -13.249 1.00 1.81 H new ATOM 0 HG LEU A 111 -1.149 -4.494 -14.721 1.00 2.19 H new ATOM 0 HD11 LEU A 111 0.767 -3.433 -15.956 1.00 2.43 H new ATOM 0 HD12 LEU A 111 0.809 -3.042 -14.220 1.00 2.43 H new ATOM 0 HD13 LEU A 111 1.905 -4.279 -14.880 1.00 2.43 H new ATOM 0 HD21 LEU A 111 -0.183 -5.538 -16.757 1.00 2.56 H new ATOM 0 HD22 LEU A 111 0.942 -6.465 -15.736 1.00 2.56 H new ATOM 0 HD23 LEU A 111 -0.810 -6.755 -15.620 1.00 2.56 H new ATOM 1749 N LYS A 112 -0.177 -8.306 -11.382 1.00 1.16 N ATOM 1750 CA LYS A 112 0.259 -8.970 -10.146 1.00 1.08 C ATOM 1751 C LYS A 112 1.661 -8.512 -9.696 1.00 1.15 C ATOM 1752 O LYS A 112 2.611 -8.564 -10.473 1.00 1.43 O ATOM 1753 CB LYS A 112 0.207 -10.503 -10.315 1.00 1.25 C ATOM 1754 CG LYS A 112 0.547 -11.220 -8.994 1.00 1.58 C ATOM 1755 CD LYS A 112 0.504 -12.750 -9.076 1.00 1.83 C ATOM 1756 CE LYS A 112 -0.924 -13.304 -9.169 1.00 1.64 C ATOM 1757 NZ LYS A 112 -0.930 -14.779 -9.019 1.00 2.37 N ATOM 0 H LYS A 112 -0.102 -8.891 -12.214 1.00 1.16 H new ATOM 0 HA LYS A 112 -0.434 -8.677 -9.357 1.00 1.08 H new ATOM 0 HB2 LYS A 112 -0.787 -10.801 -10.649 1.00 1.25 H new ATOM 0 HB3 LYS A 112 0.909 -10.810 -11.090 1.00 1.25 H new ATOM 0 HG2 LYS A 112 1.543 -10.913 -8.674 1.00 1.58 H new ATOM 0 HG3 LYS A 112 -0.151 -10.890 -8.225 1.00 1.58 H new ATOM 0 HD2 LYS A 112 1.073 -13.078 -9.946 1.00 1.83 H new ATOM 0 HD3 LYS A 112 0.994 -13.170 -8.198 1.00 1.83 H new ATOM 0 HE2 LYS A 112 -1.544 -12.853 -8.394 1.00 1.64 H new ATOM 0 HE3 LYS A 112 -1.363 -13.030 -10.128 1.00 1.64 H new ATOM 0 HZ1 LYS A 112 -1.480 -15.204 -9.792 1.00 2.37 H new ATOM 0 HZ2 LYS A 112 0.046 -15.135 -9.052 1.00 2.37 H new ATOM 0 HZ3 LYS A 112 -1.360 -15.033 -8.107 1.00 2.37 H new ATOM 1771 N VAL A 113 1.795 -8.186 -8.412 1.00 1.05 N ATOM 1772 CA VAL A 113 3.052 -8.123 -7.654 1.00 1.12 C ATOM 1773 C VAL A 113 2.972 -9.056 -6.434 1.00 1.07 C ATOM 1774 O VAL A 113 1.964 -9.729 -6.220 1.00 1.03 O ATOM 1775 CB VAL A 113 3.415 -6.676 -7.237 1.00 1.28 C ATOM 1776 CG1 VAL A 113 3.597 -5.782 -8.474 1.00 1.56 C ATOM 1777 CG2 VAL A 113 2.410 -6.058 -6.249 1.00 1.41 C ATOM 0 H VAL A 113 0.988 -7.945 -7.837 1.00 1.05 H new ATOM 0 HA VAL A 113 3.856 -8.463 -8.307 1.00 1.12 H new ATOM 0 HB VAL A 113 4.364 -6.737 -6.704 1.00 1.28 H new ATOM 0 HG11 VAL A 113 3.851 -4.770 -8.158 1.00 1.56 H new ATOM 0 HG12 VAL A 113 4.399 -6.180 -9.096 1.00 1.56 H new ATOM 0 HG13 VAL A 113 2.670 -5.761 -9.047 1.00 1.56 H new ATOM 0 HG21 VAL A 113 2.723 -5.045 -5.998 1.00 1.41 H new ATOM 0 HG22 VAL A 113 1.421 -6.030 -6.706 1.00 1.41 H new ATOM 0 HG23 VAL A 113 2.373 -6.662 -5.342 1.00 1.41 H new ATOM 1787 N VAL A 114 4.049 -9.095 -5.649 1.00 1.33 N ATOM 1788 CA VAL A 114 4.261 -9.914 -4.459 1.00 1.28 C ATOM 1789 C VAL A 114 4.958 -9.075 -3.378 1.00 1.41 C ATOM 1790 O VAL A 114 5.711 -8.158 -3.718 1.00 1.78 O ATOM 1791 CB VAL A 114 5.085 -11.171 -4.765 1.00 1.45 C ATOM 1792 CG1 VAL A 114 4.212 -12.319 -5.289 1.00 2.17 C ATOM 1793 CG2 VAL A 114 6.209 -10.875 -5.747 1.00 3.11 C ATOM 0 H VAL A 114 4.859 -8.507 -5.846 1.00 1.33 H new ATOM 0 HA VAL A 114 3.286 -10.246 -4.101 1.00 1.28 H new ATOM 0 HB VAL A 114 5.526 -11.490 -3.821 1.00 1.45 H new ATOM 0 HG11 VAL A 114 4.837 -13.188 -5.492 1.00 2.17 H new ATOM 0 HG12 VAL A 114 3.463 -12.578 -4.540 1.00 2.17 H new ATOM 0 HG13 VAL A 114 3.714 -12.008 -6.207 1.00 2.17 H new ATOM 0 HG21 VAL A 114 6.772 -11.788 -5.941 1.00 3.11 H new ATOM 0 HG22 VAL A 114 5.788 -10.503 -6.681 1.00 3.11 H new ATOM 0 HG23 VAL A 114 6.873 -10.122 -5.323 1.00 3.11 H new ATOM 1803 N LEU A 115 4.672 -9.354 -2.100 1.00 1.17 N ATOM 1804 CA LEU A 115 5.238 -8.660 -0.930 1.00 1.25 C ATOM 1805 C LEU A 115 5.516 -9.659 0.216 1.00 1.15 C ATOM 1806 O LEU A 115 4.603 -10.423 0.544 1.00 1.16 O ATOM 1807 CB LEU A 115 4.229 -7.605 -0.419 1.00 1.31 C ATOM 1808 CG LEU A 115 3.735 -6.562 -1.441 1.00 1.52 C ATOM 1809 CD1 LEU A 115 2.513 -5.826 -0.874 1.00 1.96 C ATOM 1810 CD2 LEU A 115 4.844 -5.560 -1.790 1.00 1.81 C ATOM 0 H LEU A 115 4.019 -10.093 -1.840 1.00 1.17 H new ATOM 0 HA LEU A 115 6.172 -8.186 -1.233 1.00 1.25 H new ATOM 0 HB2 LEU A 115 3.360 -8.130 -0.023 1.00 1.31 H new ATOM 0 HB3 LEU A 115 4.687 -7.073 0.415 1.00 1.31 H new ATOM 0 HG LEU A 115 3.454 -7.081 -2.357 1.00 1.52 H new ATOM 0 HD11 LEU A 115 2.164 -5.089 -1.597 1.00 1.96 H new ATOM 0 HD12 LEU A 115 1.717 -6.543 -0.674 1.00 1.96 H new ATOM 0 HD13 LEU A 115 2.789 -5.323 0.053 1.00 1.96 H new ATOM 0 HD21 LEU A 115 4.467 -4.837 -2.513 1.00 1.81 H new ATOM 0 HD22 LEU A 115 5.161 -5.039 -0.887 1.00 1.81 H new ATOM 0 HD23 LEU A 115 5.693 -6.092 -2.219 1.00 1.81 H new ATOM 1822 N PRO A 116 6.669 -9.625 0.907 1.00 1.18 N ATOM 1823 CA PRO A 116 6.927 -10.477 2.066 1.00 1.15 C ATOM 1824 C PRO A 116 6.133 -10.040 3.299 1.00 1.03 C ATOM 1825 O PRO A 116 5.928 -8.849 3.547 1.00 1.07 O ATOM 1826 CB PRO A 116 8.438 -10.394 2.308 1.00 1.31 C ATOM 1827 CG PRO A 116 8.812 -9.030 1.731 1.00 1.34 C ATOM 1828 CD PRO A 116 7.870 -8.902 0.538 1.00 1.27 C ATOM 0 HA PRO A 116 6.605 -11.501 1.877 1.00 1.15 H new ATOM 0 HB2 PRO A 116 8.680 -10.462 3.369 1.00 1.31 H new ATOM 0 HB3 PRO A 116 8.971 -11.202 1.807 1.00 1.31 H new ATOM 0 HG2 PRO A 116 8.661 -8.229 2.454 1.00 1.34 H new ATOM 0 HG3 PRO A 116 9.858 -8.992 1.427 1.00 1.34 H new ATOM 0 HD2 PRO A 116 7.648 -7.856 0.325 1.00 1.27 H new ATOM 0 HD3 PRO A 116 8.319 -9.322 -0.362 1.00 1.27 H new ATOM 1836 N VAL A 117 5.735 -11.013 4.122 1.00 0.98 N ATOM 1837 CA VAL A 117 5.252 -10.775 5.487 1.00 0.94 C ATOM 1838 C VAL A 117 6.445 -10.494 6.411 1.00 1.08 C ATOM 1839 O VAL A 117 7.444 -11.211 6.357 1.00 1.40 O ATOM 1840 CB VAL A 117 4.481 -12.012 5.998 1.00 1.03 C ATOM 1841 CG1 VAL A 117 4.115 -11.868 7.481 1.00 1.21 C ATOM 1842 CG2 VAL A 117 3.188 -12.228 5.194 1.00 0.98 C ATOM 0 H VAL A 117 5.738 -11.998 3.858 1.00 0.98 H new ATOM 0 HA VAL A 117 4.582 -9.915 5.484 1.00 0.94 H new ATOM 0 HB VAL A 117 5.141 -12.870 5.870 1.00 1.03 H new ATOM 0 HG11 VAL A 117 3.573 -12.755 7.810 1.00 1.21 H new ATOM 0 HG12 VAL A 117 5.025 -11.759 8.071 1.00 1.21 H new ATOM 0 HG13 VAL A 117 3.487 -10.988 7.617 1.00 1.21 H new ATOM 0 HG21 VAL A 117 2.665 -13.105 5.575 1.00 0.98 H new ATOM 0 HG22 VAL A 117 2.547 -11.352 5.293 1.00 0.98 H new ATOM 0 HG23 VAL A 117 3.434 -12.380 4.143 1.00 0.98 H new ATOM 1852 N GLU A 118 6.308 -9.524 7.321 1.00 0.94 N ATOM 1853 CA GLU A 118 7.290 -9.273 8.381 1.00 1.02 C ATOM 1854 C GLU A 118 6.601 -8.920 9.713 1.00 1.15 C ATOM 1855 O GLU A 118 5.509 -8.347 9.734 1.00 1.31 O ATOM 1856 CB GLU A 118 8.256 -8.157 7.941 1.00 1.20 C ATOM 1857 CG GLU A 118 9.629 -8.271 8.631 1.00 1.77 C ATOM 1858 CD GLU A 118 10.398 -6.951 8.649 1.00 2.44 C ATOM 1859 OE1 GLU A 118 10.339 -6.214 7.648 1.00 3.27 O ATOM 1860 OE2 GLU A 118 10.971 -6.640 9.718 1.00 3.28 O ATOM 0 H GLU A 118 5.510 -8.889 7.343 1.00 0.94 H new ATOM 0 HA GLU A 118 7.861 -10.186 8.549 1.00 1.02 H new ATOM 0 HB2 GLU A 118 8.390 -8.200 6.860 1.00 1.20 H new ATOM 0 HB3 GLU A 118 7.816 -7.186 8.170 1.00 1.20 H new ATOM 0 HG2 GLU A 118 9.488 -8.617 9.655 1.00 1.77 H new ATOM 0 HG3 GLU A 118 10.226 -9.026 8.119 1.00 1.77 H new ATOM 1867 N ALA A 119 7.250 -9.239 10.838 1.00 1.47 N ATOM 1868 CA ALA A 119 6.805 -8.933 12.201 1.00 1.78 C ATOM 1869 C ALA A 119 7.020 -7.442 12.543 1.00 1.76 C ATOM 1870 O ALA A 119 7.826 -7.117 13.417 1.00 2.21 O ATOM 1871 CB ALA A 119 7.529 -9.895 13.156 1.00 2.20 C ATOM 0 H ALA A 119 8.139 -9.739 10.822 1.00 1.47 H new ATOM 0 HA ALA A 119 5.731 -9.086 12.303 1.00 1.78 H new ATOM 0 HB1 ALA A 119 7.219 -9.692 14.181 1.00 2.20 H new ATOM 0 HB2 ALA A 119 7.277 -10.923 12.897 1.00 2.20 H new ATOM 0 HB3 ALA A 119 8.606 -9.753 13.068 1.00 2.20 H new ATOM 1877 N ARG A 120 6.375 -6.546 11.779 1.00 1.64 N ATOM 1878 CA ARG A 120 6.772 -5.134 11.717 1.00 1.72 C ATOM 1879 C ARG A 120 6.132 -4.170 12.703 1.00 2.21 C ATOM 1880 O ARG A 120 4.887 -4.165 12.823 1.00 2.46 O ATOM 1881 CB ARG A 120 6.827 -4.610 10.269 1.00 1.93 C ATOM 1882 CG ARG A 120 8.232 -4.804 9.676 1.00 2.47 C ATOM 1883 CD ARG A 120 9.275 -3.720 10.023 1.00 2.42 C ATOM 1884 NE ARG A 120 9.394 -3.488 11.474 1.00 2.90 N ATOM 1885 CZ ARG A 120 10.001 -4.275 12.339 1.00 3.92 C ATOM 1886 NH1 ARG A 120 10.865 -5.191 12.012 1.00 4.45 N ATOM 1887 NH2 ARG A 120 9.632 -4.192 13.584 1.00 5.15 N ATOM 1888 OXT ARG A 120 6.948 -3.401 13.264 1.00 3.54 O ATOM 0 H ARG A 120 5.573 -6.778 11.194 1.00 1.64 H new ATOM 0 HA ARG A 120 7.791 -5.153 12.104 1.00 1.72 H new ATOM 0 HB2 ARG A 120 6.093 -5.136 9.658 1.00 1.93 H new ATOM 0 HB3 ARG A 120 6.561 -3.553 10.249 1.00 1.93 H new ATOM 0 HG2 ARG A 120 8.615 -5.768 10.012 1.00 2.47 H new ATOM 0 HG3 ARG A 120 8.141 -4.857 8.591 1.00 2.47 H new ATOM 0 HD2 ARG A 120 10.246 -4.016 9.626 1.00 2.42 H new ATOM 0 HD3 ARG A 120 9.000 -2.787 9.531 1.00 2.42 H new ATOM 0 HE ARG A 120 8.966 -2.639 11.843 1.00 2.90 H new ATOM 0 HH11 ARG A 120 11.110 -5.334 11.032 1.00 4.45 H new ATOM 0 HH12 ARG A 120 11.297 -5.766 12.735 1.00 4.45 H new ATOM 0 HH21 ARG A 120 8.900 -3.536 13.856 1.00 5.15 H new ATOM 0 HH22 ARG A 120 10.075 -4.783 14.288 1.00 5.15 H new TER 1902 ARG A 120