USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 852 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 35 CYS SG : rot 88:sc= 0.124 USER MOD Set 1.2: A 85 CYS SG : rot 116:sc= 0.653 USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0427 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 46:sc= 0.438 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 25:sc= 0.664 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 61:sc= 0.329 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -170:sc= 0.00869 USER MOD Single : A 47 THR OG1 : rot -58:sc= 0.943 USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= 0.169 (180deg=0.159) USER MOD Single : A 56 SER OG : rot 180:sc= -0.0709 USER MOD Single : A 62 GLN : amide:sc= -0.757 K(o=-0.76,f=-1.8!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.617 K(o=-0.62,f=-3.3!) USER MOD Single : A 80 SER OG : rot -73:sc= 1.11 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -170:sc= -0.124 USER MOD Single : A 93 SER OG : rot 140:sc= 0 USER MOD Single : A 95 THR OG1 : rot 1:sc= 0.583 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 28:sc= 0.957 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.561 -16.501 -27.774 1.00 0.00 N ATOM 2 CA GLY A 1 5.725 -15.813 -27.248 1.00 0.00 C ATOM 3 C GLY A 1 7.007 -16.594 -27.461 1.00 0.00 C ATOM 4 O GLY A 1 6.987 -17.823 -27.536 1.00 0.00 O ATOM 0 H1 GLY A 1 4.207 -15.995 -28.611 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.823 -17.471 -28.042 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.818 -16.531 -27.047 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.814 -14.838 -27.727 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.586 -15.633 -26.182 1.00 0.00 H new ATOM 8 N SER A 2 8.123 -15.881 -27.562 1.00 0.00 N ATOM 9 CA SER A 2 9.419 -16.515 -27.775 1.00 0.00 C ATOM 10 C SER A 2 9.666 -17.607 -26.738 1.00 0.00 C ATOM 11 O SER A 2 9.415 -17.416 -25.548 1.00 0.00 O ATOM 12 CB SER A 2 10.537 -15.473 -27.711 1.00 0.00 C ATOM 13 OG SER A 2 10.854 -15.146 -26.369 1.00 0.00 O ATOM 0 H SER A 2 8.157 -14.863 -27.500 1.00 0.00 H new ATOM 0 HA SER A 2 9.414 -16.972 -28.765 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.425 -15.856 -28.214 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.231 -14.573 -28.245 1.00 0.00 H new ATOM 0 HG SER A 2 11.572 -14.480 -26.356 1.00 0.00 H new ATOM 19 N SER A 3 10.160 -18.751 -27.200 1.00 0.00 N ATOM 20 CA SER A 3 10.438 -19.876 -26.314 1.00 0.00 C ATOM 21 C SER A 3 11.940 -20.053 -26.116 1.00 0.00 C ATOM 22 O SER A 3 12.653 -20.468 -27.029 1.00 0.00 O ATOM 23 CB SER A 3 9.832 -21.161 -26.881 1.00 0.00 C ATOM 24 OG SER A 3 8.433 -21.205 -26.661 1.00 0.00 O ATOM 0 H SER A 3 10.376 -18.924 -28.182 1.00 0.00 H new ATOM 0 HA SER A 3 9.984 -19.665 -25.346 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.037 -21.223 -27.950 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.304 -22.026 -26.415 1.00 0.00 H new ATOM 0 HG SER A 3 8.069 -22.035 -27.034 1.00 0.00 H new ATOM 30 N GLY A 4 12.415 -19.735 -24.915 1.00 0.00 N ATOM 31 CA GLY A 4 13.829 -19.865 -24.618 1.00 0.00 C ATOM 32 C GLY A 4 14.084 -20.288 -23.185 1.00 0.00 C ATOM 33 O GLY A 4 14.563 -21.394 -22.933 1.00 0.00 O ATOM 0 H GLY A 4 11.845 -19.390 -24.143 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.273 -20.596 -25.294 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.326 -18.913 -24.806 1.00 0.00 H new ATOM 37 N SER A 5 13.765 -19.406 -22.243 1.00 0.00 N ATOM 38 CA SER A 5 13.967 -19.692 -20.828 1.00 0.00 C ATOM 39 C SER A 5 12.844 -20.571 -20.285 1.00 0.00 C ATOM 40 O SER A 5 11.841 -20.803 -20.961 1.00 0.00 O ATOM 41 CB SER A 5 14.043 -18.390 -20.029 1.00 0.00 C ATOM 42 OG SER A 5 12.844 -17.645 -20.153 1.00 0.00 O ATOM 0 H SER A 5 13.366 -18.487 -22.435 1.00 0.00 H new ATOM 0 HA SER A 5 14.909 -20.230 -20.722 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.228 -18.615 -18.979 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.884 -17.792 -20.380 1.00 0.00 H new ATOM 0 HG SER A 5 12.917 -16.818 -19.632 1.00 0.00 H new ATOM 48 N SER A 6 13.020 -21.056 -19.061 1.00 0.00 N ATOM 49 CA SER A 6 12.024 -21.912 -18.427 1.00 0.00 C ATOM 50 C SER A 6 11.406 -21.222 -17.215 1.00 0.00 C ATOM 51 O SER A 6 10.199 -20.986 -17.169 1.00 0.00 O ATOM 52 CB SER A 6 12.656 -23.240 -18.005 1.00 0.00 C ATOM 53 OG SER A 6 12.960 -24.042 -19.133 1.00 0.00 O ATOM 0 H SER A 6 13.843 -20.871 -18.488 1.00 0.00 H new ATOM 0 HA SER A 6 11.235 -22.108 -19.153 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.565 -23.049 -17.435 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.974 -23.778 -17.346 1.00 0.00 H new ATOM 0 HG SER A 6 13.364 -24.884 -18.836 1.00 0.00 H new ATOM 59 N GLY A 7 12.243 -20.900 -16.234 1.00 0.00 N ATOM 60 CA GLY A 7 11.762 -20.240 -15.034 1.00 0.00 C ATOM 61 C GLY A 7 12.833 -19.401 -14.365 1.00 0.00 C ATOM 62 O GLY A 7 13.992 -19.414 -14.780 1.00 0.00 O ATOM 0 H GLY A 7 13.246 -21.084 -16.249 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.913 -19.605 -15.288 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.400 -20.990 -14.331 1.00 0.00 H new ATOM 66 N THR A 8 12.444 -18.668 -13.327 1.00 0.00 N ATOM 67 CA THR A 8 13.378 -17.817 -12.600 1.00 0.00 C ATOM 68 C THR A 8 13.822 -18.473 -11.298 1.00 0.00 C ATOM 69 O THR A 8 13.130 -18.392 -10.283 1.00 0.00 O ATOM 70 CB THR A 8 12.757 -16.443 -12.284 1.00 0.00 C ATOM 71 OG1 THR A 8 11.484 -16.616 -11.649 1.00 0.00 O ATOM 72 CG2 THR A 8 12.589 -15.620 -13.551 1.00 0.00 C ATOM 0 H THR A 8 11.489 -18.646 -12.971 1.00 0.00 H new ATOM 0 HA THR A 8 14.245 -17.676 -13.246 1.00 0.00 H new ATOM 0 HB THR A 8 13.430 -15.911 -11.611 1.00 0.00 H new ATOM 0 HG1 THR A 8 11.556 -17.301 -10.952 1.00 0.00 H new ATOM 0 HG21 THR A 8 12.149 -14.654 -13.302 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.562 -15.466 -14.016 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.935 -16.149 -14.244 1.00 0.00 H new ATOM 80 N ASP A 9 14.980 -19.123 -11.334 1.00 0.00 N ATOM 81 CA ASP A 9 15.518 -19.793 -10.155 1.00 0.00 C ATOM 82 C ASP A 9 16.013 -18.776 -9.131 1.00 0.00 C ATOM 83 O ASP A 9 17.049 -18.140 -9.324 1.00 0.00 O ATOM 84 CB ASP A 9 16.657 -20.733 -10.551 1.00 0.00 C ATOM 85 CG ASP A 9 17.657 -20.936 -9.430 1.00 0.00 C ATOM 86 OD1 ASP A 9 17.240 -20.913 -8.253 1.00 0.00 O ATOM 87 OD2 ASP A 9 18.856 -21.118 -9.729 1.00 0.00 O ATOM 0 H ASP A 9 15.564 -19.200 -12.166 1.00 0.00 H new ATOM 0 HA ASP A 9 14.717 -20.377 -9.702 1.00 0.00 H new ATOM 0 HB2 ASP A 9 16.243 -21.698 -10.843 1.00 0.00 H new ATOM 0 HB3 ASP A 9 17.171 -20.329 -11.423 1.00 0.00 H new ATOM 92 N VAL A 10 15.266 -18.628 -8.042 1.00 0.00 N ATOM 93 CA VAL A 10 15.629 -17.689 -6.988 1.00 0.00 C ATOM 94 C VAL A 10 15.066 -18.130 -5.641 1.00 0.00 C ATOM 95 O VAL A 10 14.010 -18.758 -5.574 1.00 0.00 O ATOM 96 CB VAL A 10 15.124 -16.269 -7.303 1.00 0.00 C ATOM 97 CG1 VAL A 10 13.606 -16.249 -7.392 1.00 0.00 C ATOM 98 CG2 VAL A 10 15.616 -15.283 -6.253 1.00 0.00 C ATOM 0 H VAL A 10 14.405 -19.147 -7.867 1.00 0.00 H new ATOM 0 HA VAL A 10 16.718 -17.676 -6.937 1.00 0.00 H new ATOM 0 HB VAL A 10 15.525 -15.967 -8.270 1.00 0.00 H new ATOM 0 HG11 VAL A 10 13.268 -15.237 -7.615 1.00 0.00 H new ATOM 0 HG12 VAL A 10 13.279 -16.924 -8.183 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.182 -16.572 -6.441 1.00 0.00 H new ATOM 0 HG21 VAL A 10 15.250 -14.285 -6.492 1.00 0.00 H new ATOM 0 HG22 VAL A 10 15.245 -15.581 -5.272 1.00 0.00 H new ATOM 0 HG23 VAL A 10 16.706 -15.277 -6.242 1.00 0.00 H new ATOM 108 N SER A 11 15.779 -17.797 -4.570 1.00 0.00 N ATOM 109 CA SER A 11 15.353 -18.161 -3.224 1.00 0.00 C ATOM 110 C SER A 11 13.945 -17.646 -2.942 1.00 0.00 C ATOM 111 O SER A 11 13.028 -18.424 -2.682 1.00 0.00 O ATOM 112 CB SER A 11 16.330 -17.602 -2.188 1.00 0.00 C ATOM 113 OG SER A 11 17.640 -18.096 -2.404 1.00 0.00 O ATOM 0 H SER A 11 16.655 -17.275 -4.608 1.00 0.00 H new ATOM 0 HA SER A 11 15.344 -19.249 -3.154 1.00 0.00 H new ATOM 0 HB2 SER A 11 16.336 -16.513 -2.239 1.00 0.00 H new ATOM 0 HB3 SER A 11 15.997 -17.872 -1.186 1.00 0.00 H new ATOM 0 HG SER A 11 18.246 -17.723 -1.730 1.00 0.00 H new ATOM 119 N SER A 12 13.782 -16.328 -2.996 1.00 0.00 N ATOM 120 CA SER A 12 12.487 -15.706 -2.743 1.00 0.00 C ATOM 121 C SER A 12 12.480 -14.256 -3.215 1.00 0.00 C ATOM 122 O SER A 12 13.196 -13.412 -2.675 1.00 0.00 O ATOM 123 CB SER A 12 12.149 -15.772 -1.253 1.00 0.00 C ATOM 124 OG SER A 12 13.094 -15.048 -0.483 1.00 0.00 O ATOM 0 H SER A 12 14.531 -15.670 -3.213 1.00 0.00 H new ATOM 0 HA SER A 12 11.731 -16.256 -3.304 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.151 -15.367 -1.085 1.00 0.00 H new ATOM 0 HB3 SER A 12 12.130 -16.812 -0.927 1.00 0.00 H new ATOM 0 HG SER A 12 13.507 -14.355 -1.039 1.00 0.00 H new ATOM 130 N TRP A 13 11.665 -13.973 -4.225 1.00 0.00 N ATOM 131 CA TRP A 13 11.564 -12.624 -4.771 1.00 0.00 C ATOM 132 C TRP A 13 11.348 -11.603 -3.660 1.00 0.00 C ATOM 133 O TRP A 13 12.087 -10.624 -3.552 1.00 0.00 O ATOM 134 CB TRP A 13 10.419 -12.546 -5.782 1.00 0.00 C ATOM 135 CG TRP A 13 10.794 -13.046 -7.144 1.00 0.00 C ATOM 136 CD1 TRP A 13 10.248 -14.109 -7.806 1.00 0.00 C ATOM 137 CD2 TRP A 13 11.797 -12.504 -8.009 1.00 0.00 C ATOM 138 NE1 TRP A 13 10.853 -14.261 -9.030 1.00 0.00 N ATOM 139 CE2 TRP A 13 11.806 -13.288 -9.180 1.00 0.00 C ATOM 140 CE3 TRP A 13 12.688 -11.432 -7.911 1.00 0.00 C ATOM 141 CZ2 TRP A 13 12.671 -13.033 -10.240 1.00 0.00 C ATOM 142 CZ3 TRP A 13 13.547 -11.180 -8.964 1.00 0.00 C ATOM 143 CH2 TRP A 13 13.533 -11.977 -10.116 1.00 0.00 C ATOM 0 H TRP A 13 11.065 -14.659 -4.682 1.00 0.00 H new ATOM 0 HA TRP A 13 12.502 -12.391 -5.276 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.575 -13.126 -5.410 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.084 -11.512 -5.862 1.00 0.00 H new ATOM 0 HD1 TRP A 13 9.457 -14.737 -7.423 1.00 0.00 H new ATOM 0 HE1 TRP A 13 10.629 -14.982 -9.716 1.00 0.00 H new ATOM 0 HE3 TRP A 13 12.705 -10.811 -7.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 12.662 -13.646 -11.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 14.241 -10.355 -8.898 1.00 0.00 H new ATOM 0 HH2 TRP A 13 14.216 -11.754 -10.922 1.00 0.00 H new ATOM 154 N ILE A 14 10.332 -11.836 -2.836 1.00 0.00 N ATOM 155 CA ILE A 14 10.021 -10.936 -1.732 1.00 0.00 C ATOM 156 C ILE A 14 10.983 -11.143 -0.567 1.00 0.00 C ATOM 157 O ILE A 14 10.762 -11.998 0.290 1.00 0.00 O ATOM 158 CB ILE A 14 8.578 -11.135 -1.233 1.00 0.00 C ATOM 159 CG1 ILE A 14 7.592 -11.021 -2.398 1.00 0.00 C ATOM 160 CG2 ILE A 14 8.247 -10.118 -0.151 1.00 0.00 C ATOM 161 CD1 ILE A 14 6.289 -11.752 -2.161 1.00 0.00 C ATOM 0 H ILE A 14 9.710 -12.641 -2.912 1.00 0.00 H new ATOM 0 HA ILE A 14 10.128 -9.920 -2.113 1.00 0.00 H new ATOM 0 HB ILE A 14 8.492 -12.134 -0.805 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.380 -9.968 -2.582 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.061 -11.414 -3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.224 -10.271 0.192 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.933 -10.242 0.687 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.347 -9.111 -0.556 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.639 -11.628 -3.027 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.489 -12.812 -2.007 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.798 -11.343 -1.278 1.00 0.00 H new ATOM 173 N VAL A 15 12.051 -10.351 -0.541 1.00 0.00 N ATOM 174 CA VAL A 15 13.045 -10.445 0.521 1.00 0.00 C ATOM 175 C VAL A 15 12.496 -9.907 1.838 1.00 0.00 C ATOM 176 O VAL A 15 13.015 -10.216 2.911 1.00 0.00 O ATOM 177 CB VAL A 15 14.327 -9.671 0.159 1.00 0.00 C ATOM 178 CG1 VAL A 15 14.058 -8.175 0.129 1.00 0.00 C ATOM 179 CG2 VAL A 15 15.443 -10.002 1.138 1.00 0.00 C ATOM 0 H VAL A 15 12.249 -9.638 -1.243 1.00 0.00 H new ATOM 0 HA VAL A 15 13.286 -11.502 0.636 1.00 0.00 H new ATOM 0 HB VAL A 15 14.646 -9.977 -0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.975 -7.645 -0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.292 -7.958 -0.616 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.713 -7.848 1.110 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.341 -9.447 0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 15 15.136 -9.726 2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 15 15.653 -11.071 1.102 1.00 0.00 H new ATOM 189 N TYR A 16 11.443 -9.102 1.748 1.00 0.00 N ATOM 190 CA TYR A 16 10.823 -8.520 2.933 1.00 0.00 C ATOM 191 C TYR A 16 9.542 -7.776 2.567 1.00 0.00 C ATOM 192 O TYR A 16 9.429 -7.168 1.503 1.00 0.00 O ATOM 193 CB TYR A 16 11.798 -7.568 3.628 1.00 0.00 C ATOM 194 CG TYR A 16 11.125 -6.587 4.561 1.00 0.00 C ATOM 195 CD1 TYR A 16 10.284 -5.596 4.070 1.00 0.00 C ATOM 196 CD2 TYR A 16 11.330 -6.651 5.934 1.00 0.00 C ATOM 197 CE1 TYR A 16 9.667 -4.697 4.918 1.00 0.00 C ATOM 198 CE2 TYR A 16 10.717 -5.757 6.790 1.00 0.00 C ATOM 199 CZ TYR A 16 9.886 -4.782 6.278 1.00 0.00 C ATOM 200 OH TYR A 16 9.274 -3.889 7.127 1.00 0.00 O ATOM 0 H TYR A 16 11.001 -8.838 0.868 1.00 0.00 H new ATOM 0 HA TYR A 16 10.569 -9.331 3.615 1.00 0.00 H new ATOM 0 HB2 TYR A 16 12.524 -8.153 4.192 1.00 0.00 H new ATOM 0 HB3 TYR A 16 12.354 -7.014 2.871 1.00 0.00 H new ATOM 0 HD1 TYR A 16 10.110 -5.527 3.006 1.00 0.00 H new ATOM 0 HD2 TYR A 16 11.980 -7.413 6.339 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.017 -3.932 4.519 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.887 -5.821 7.855 1.00 0.00 H new ATOM 0 HH TYR A 16 9.532 -4.087 8.051 1.00 0.00 H new ATOM 210 N PRO A 17 8.553 -7.824 3.472 1.00 0.00 N ATOM 211 CA PRO A 17 8.677 -8.545 4.743 1.00 0.00 C ATOM 212 C PRO A 17 8.707 -10.057 4.550 1.00 0.00 C ATOM 213 O PRO A 17 8.442 -10.559 3.458 1.00 0.00 O ATOM 214 CB PRO A 17 7.420 -8.128 5.510 1.00 0.00 C ATOM 215 CG PRO A 17 6.435 -7.761 4.454 1.00 0.00 C ATOM 216 CD PRO A 17 7.238 -7.179 3.324 1.00 0.00 C ATOM 0 HA PRO A 17 9.607 -8.306 5.259 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.048 -8.942 6.132 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.622 -7.286 6.173 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.873 -8.635 4.124 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.710 -7.039 4.830 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.789 -7.400 2.356 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.312 -6.094 3.401 1.00 0.00 H new ATOM 224 N SER A 18 9.031 -10.779 5.619 1.00 0.00 N ATOM 225 CA SER A 18 9.099 -12.234 5.566 1.00 0.00 C ATOM 226 C SER A 18 7.902 -12.860 6.276 1.00 0.00 C ATOM 227 O SER A 18 8.053 -13.540 7.290 1.00 0.00 O ATOM 228 CB SER A 18 10.399 -12.729 6.203 1.00 0.00 C ATOM 229 OG SER A 18 10.507 -12.292 7.547 1.00 0.00 O ATOM 0 H SER A 18 9.250 -10.379 6.531 1.00 0.00 H new ATOM 0 HA SER A 18 9.078 -12.536 4.519 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.433 -13.818 6.167 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.251 -12.364 5.629 1.00 0.00 H new ATOM 0 HG SER A 18 9.757 -12.647 8.068 1.00 0.00 H new ATOM 235 N GLY A 19 6.711 -12.623 5.735 1.00 0.00 N ATOM 236 CA GLY A 19 5.504 -13.170 6.329 1.00 0.00 C ATOM 237 C GLY A 19 4.327 -12.220 6.229 1.00 0.00 C ATOM 238 O GLY A 19 4.139 -11.557 5.209 1.00 0.00 O ATOM 0 H GLY A 19 6.560 -12.062 4.896 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.253 -14.108 5.835 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.692 -13.402 7.377 1.00 0.00 H new ATOM 242 N LYS A 20 3.531 -12.153 7.291 1.00 0.00 N ATOM 243 CA LYS A 20 2.365 -11.278 7.320 1.00 0.00 C ATOM 244 C LYS A 20 2.661 -10.004 8.105 1.00 0.00 C ATOM 245 O LYS A 20 3.376 -10.032 9.107 1.00 0.00 O ATOM 246 CB LYS A 20 1.171 -12.006 7.940 1.00 0.00 C ATOM 247 CG LYS A 20 0.446 -12.921 6.969 1.00 0.00 C ATOM 248 CD LYS A 20 -1.022 -13.071 7.333 1.00 0.00 C ATOM 249 CE LYS A 20 -1.754 -13.964 6.344 1.00 0.00 C ATOM 250 NZ LYS A 20 -1.400 -15.400 6.526 1.00 0.00 N ATOM 0 H LYS A 20 3.672 -12.695 8.144 1.00 0.00 H new ATOM 0 HA LYS A 20 2.122 -11.003 6.294 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.516 -12.593 8.791 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.467 -11.269 8.326 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.532 -12.522 5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.923 -13.901 6.966 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.108 -13.490 8.336 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.494 -12.089 7.356 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.830 -13.837 6.467 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.511 -13.656 5.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.919 -15.976 5.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.377 -15.526 6.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.656 -15.701 7.488 1.00 0.00 H new ATOM 264 N VAL A 21 2.106 -8.888 7.644 1.00 0.00 N ATOM 265 CA VAL A 21 2.308 -7.604 8.305 1.00 0.00 C ATOM 266 C VAL A 21 0.990 -6.854 8.463 1.00 0.00 C ATOM 267 O VAL A 21 0.252 -6.663 7.496 1.00 0.00 O ATOM 268 CB VAL A 21 3.298 -6.720 7.524 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.380 -5.333 8.143 1.00 0.00 C ATOM 270 CG2 VAL A 21 4.671 -7.373 7.477 1.00 0.00 C ATOM 0 H VAL A 21 1.513 -8.847 6.815 1.00 0.00 H new ATOM 0 HA VAL A 21 2.722 -7.817 9.290 1.00 0.00 H new ATOM 0 HB VAL A 21 2.935 -6.614 6.502 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.084 -4.723 7.577 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.396 -4.866 8.120 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.719 -5.415 9.176 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.358 -6.735 6.921 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.044 -7.510 8.492 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.596 -8.342 6.984 1.00 0.00 H new ATOM 280 N TYR A 22 0.701 -6.429 9.688 1.00 0.00 N ATOM 281 CA TYR A 22 -0.530 -5.701 9.974 1.00 0.00 C ATOM 282 C TYR A 22 -0.279 -4.196 9.996 1.00 0.00 C ATOM 283 O TYR A 22 0.739 -3.732 10.509 1.00 0.00 O ATOM 284 CB TYR A 22 -1.115 -6.152 11.314 1.00 0.00 C ATOM 285 CG TYR A 22 -1.890 -7.447 11.231 1.00 0.00 C ATOM 286 CD1 TYR A 22 -1.343 -8.569 10.619 1.00 0.00 C ATOM 287 CD2 TYR A 22 -3.168 -7.550 11.765 1.00 0.00 C ATOM 288 CE1 TYR A 22 -2.048 -9.754 10.541 1.00 0.00 C ATOM 289 CE2 TYR A 22 -3.880 -8.731 11.692 1.00 0.00 C ATOM 290 CZ TYR A 22 -3.316 -9.831 11.079 1.00 0.00 C ATOM 291 OH TYR A 22 -4.021 -11.010 11.004 1.00 0.00 O ATOM 0 H TYR A 22 1.302 -6.576 10.499 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.245 -5.921 9.181 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.305 -6.269 12.034 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.771 -5.370 11.696 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.350 -8.513 10.198 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.613 -6.691 12.246 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.609 -10.616 10.061 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.873 -8.793 12.112 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.895 -10.896 11.431 1.00 0.00 H new ATOM 301 N VAL A 23 -1.217 -3.438 9.436 1.00 0.00 N ATOM 302 CA VAL A 23 -1.101 -1.986 9.392 1.00 0.00 C ATOM 303 C VAL A 23 -2.450 -1.319 9.634 1.00 0.00 C ATOM 304 O VAL A 23 -3.472 -1.753 9.103 1.00 0.00 O ATOM 305 CB VAL A 23 -0.539 -1.508 8.040 1.00 0.00 C ATOM 306 CG1 VAL A 23 -0.300 -0.006 8.061 1.00 0.00 C ATOM 307 CG2 VAL A 23 0.742 -2.256 7.702 1.00 0.00 C ATOM 0 H VAL A 23 -2.066 -3.806 9.007 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.410 -1.700 10.185 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.274 -1.723 7.264 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.097 0.313 7.097 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.241 0.509 8.254 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.415 0.238 8.847 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.126 -1.906 6.744 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.485 -2.074 8.479 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.534 -3.324 7.641 1.00 0.00 H new ATOM 317 N ALA A 24 -2.446 -0.260 10.437 1.00 0.00 N ATOM 318 CA ALA A 24 -3.669 0.469 10.747 1.00 0.00 C ATOM 319 C ALA A 24 -3.662 1.851 10.104 1.00 0.00 C ATOM 320 O ALA A 24 -2.634 2.527 10.075 1.00 0.00 O ATOM 321 CB ALA A 24 -3.846 0.586 12.254 1.00 0.00 C ATOM 0 H ALA A 24 -1.608 0.112 10.885 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.510 -0.090 10.336 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.764 1.133 12.471 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.905 -0.410 12.692 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.996 1.120 12.680 1.00 0.00 H new ATOM 327 N ALA A 25 -4.815 2.265 9.589 1.00 0.00 N ATOM 328 CA ALA A 25 -4.942 3.568 8.948 1.00 0.00 C ATOM 329 C ALA A 25 -6.208 4.285 9.405 1.00 0.00 C ATOM 330 O ALA A 25 -7.022 3.722 10.137 1.00 0.00 O ATOM 331 CB ALA A 25 -4.938 3.414 7.434 1.00 0.00 C ATOM 0 H ALA A 25 -5.675 1.717 9.603 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.086 4.175 9.243 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.034 4.395 6.968 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.003 2.952 7.118 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.775 2.785 7.130 1.00 0.00 H new ATOM 337 N VAL A 26 -6.367 5.531 8.971 1.00 0.00 N ATOM 338 CA VAL A 26 -7.534 6.325 9.335 1.00 0.00 C ATOM 339 C VAL A 26 -8.092 7.068 8.127 1.00 0.00 C ATOM 340 O VAL A 26 -7.401 7.253 7.125 1.00 0.00 O ATOM 341 CB VAL A 26 -7.197 7.343 10.441 1.00 0.00 C ATOM 342 CG1 VAL A 26 -8.438 7.678 11.255 1.00 0.00 C ATOM 343 CG2 VAL A 26 -6.089 6.810 11.336 1.00 0.00 C ATOM 0 H VAL A 26 -5.702 6.013 8.366 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.286 5.630 9.708 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.842 8.260 9.971 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.180 8.398 12.031 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.198 8.106 10.601 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.826 6.770 11.717 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.864 7.542 12.112 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.412 5.878 11.800 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.195 6.627 10.739 1.00 0.00 H new ATOM 353 N ARG A 27 -9.347 7.494 8.229 1.00 0.00 N ATOM 354 CA ARG A 27 -9.999 8.218 7.144 1.00 0.00 C ATOM 355 C ARG A 27 -9.077 9.294 6.578 1.00 0.00 C ATOM 356 O ARG A 27 -8.799 10.298 7.236 1.00 0.00 O ATOM 357 CB ARG A 27 -11.301 8.853 7.636 1.00 0.00 C ATOM 358 CG ARG A 27 -12.343 9.031 6.544 1.00 0.00 C ATOM 359 CD ARG A 27 -13.244 7.812 6.431 1.00 0.00 C ATOM 360 NE ARG A 27 -14.380 7.884 7.347 1.00 0.00 N ATOM 361 CZ ARG A 27 -15.408 8.708 7.179 1.00 0.00 C ATOM 362 NH1 ARG A 27 -15.443 9.525 6.136 1.00 0.00 N ATOM 363 NH2 ARG A 27 -16.404 8.715 8.055 1.00 0.00 N ATOM 0 H ARG A 27 -9.932 7.350 9.052 1.00 0.00 H new ATOM 0 HA ARG A 27 -10.228 7.506 6.351 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.720 8.234 8.429 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.078 9.825 8.075 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -12.947 9.913 6.756 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -11.846 9.207 5.590 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -13.609 7.724 5.408 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -12.665 6.913 6.641 1.00 0.00 H new ATOM 0 HE ARG A 27 -14.384 7.268 8.160 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -14.679 9.522 5.460 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -16.234 10.157 6.009 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -16.381 8.087 8.859 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -17.193 9.348 7.925 1.00 0.00 H new ATOM 377 N LEU A 28 -8.607 9.079 5.355 1.00 0.00 N ATOM 378 CA LEU A 28 -7.716 10.030 4.699 1.00 0.00 C ATOM 379 C LEU A 28 -6.356 10.068 5.390 1.00 0.00 C ATOM 380 O LEU A 28 -5.800 11.139 5.626 1.00 0.00 O ATOM 381 CB LEU A 28 -8.340 11.427 4.699 1.00 0.00 C ATOM 382 CG LEU A 28 -9.807 11.506 4.278 1.00 0.00 C ATOM 383 CD1 LEU A 28 -10.437 12.797 4.779 1.00 0.00 C ATOM 384 CD2 LEU A 28 -9.934 11.401 2.765 1.00 0.00 C ATOM 0 H LEU A 28 -8.828 8.254 4.797 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.571 9.704 3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.247 11.844 5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.757 12.064 4.034 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.340 10.667 4.727 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.482 12.836 4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.379 12.832 5.867 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.902 13.649 4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.985 11.459 2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.387 12.219 2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.521 10.450 2.430 1.00 0.00 H new ATOM 396 N GLU A 29 -5.827 8.890 5.708 1.00 0.00 N ATOM 397 CA GLU A 29 -4.532 8.790 6.370 1.00 0.00 C ATOM 398 C GLU A 29 -3.423 8.518 5.357 1.00 0.00 C ATOM 399 O GLU A 29 -3.678 8.024 4.259 1.00 0.00 O ATOM 400 CB GLU A 29 -4.558 7.681 7.424 1.00 0.00 C ATOM 401 CG GLU A 29 -3.249 7.531 8.182 1.00 0.00 C ATOM 402 CD GLU A 29 -2.959 8.713 9.086 1.00 0.00 C ATOM 403 OE1 GLU A 29 -2.983 9.859 8.589 1.00 0.00 O ATOM 404 OE2 GLU A 29 -2.709 8.493 10.289 1.00 0.00 O ATOM 0 H GLU A 29 -6.275 7.993 5.518 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.328 9.742 6.860 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.358 7.886 8.135 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.797 6.735 6.938 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.282 6.621 8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.432 7.414 7.470 1.00 0.00 H new ATOM 411 N ARG A 30 -2.192 8.846 5.735 1.00 0.00 N ATOM 412 CA ARG A 30 -1.044 8.640 4.860 1.00 0.00 C ATOM 413 C ARG A 30 -0.227 7.432 5.310 1.00 0.00 C ATOM 414 O ARG A 30 0.639 7.544 6.178 1.00 0.00 O ATOM 415 CB ARG A 30 -0.160 9.889 4.841 1.00 0.00 C ATOM 416 CG ARG A 30 1.031 9.777 3.903 1.00 0.00 C ATOM 417 CD ARG A 30 2.241 9.181 4.607 1.00 0.00 C ATOM 418 NE ARG A 30 3.495 9.594 3.984 1.00 0.00 N ATOM 419 CZ ARG A 30 4.663 9.600 4.617 1.00 0.00 C ATOM 420 NH1 ARG A 30 4.736 9.216 5.883 1.00 0.00 N ATOM 421 NH2 ARG A 30 5.761 9.990 3.982 1.00 0.00 N ATOM 0 H ARG A 30 -1.964 9.255 6.641 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.416 8.451 3.853 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.764 10.747 4.547 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.201 10.084 5.851 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.764 9.157 3.047 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.284 10.764 3.515 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.238 9.486 5.653 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.170 8.093 4.592 1.00 0.00 H new ATOM 0 HE ARG A 30 3.473 9.894 3.009 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.894 8.915 6.374 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.634 9.222 6.367 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.709 10.285 3.007 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.657 9.994 4.469 1.00 0.00 H new ATOM 435 N VAL A 31 -0.510 6.278 4.714 1.00 0.00 N ATOM 436 CA VAL A 31 0.199 5.050 5.053 1.00 0.00 C ATOM 437 C VAL A 31 1.406 4.843 4.145 1.00 0.00 C ATOM 438 O VAL A 31 1.496 5.435 3.070 1.00 0.00 O ATOM 439 CB VAL A 31 -0.726 3.822 4.948 1.00 0.00 C ATOM 440 CG1 VAL A 31 -1.947 3.995 5.837 1.00 0.00 C ATOM 441 CG2 VAL A 31 -1.137 3.588 3.502 1.00 0.00 C ATOM 0 H VAL A 31 -1.225 6.168 3.995 1.00 0.00 H new ATOM 0 HA VAL A 31 0.538 5.154 6.084 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.178 2.945 5.293 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.588 3.118 5.749 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.629 4.110 6.873 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.500 4.881 5.527 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.790 2.717 3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.667 4.464 3.128 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.249 3.415 2.895 1.00 0.00 H new ATOM 451 N VAL A 32 2.332 3.997 4.585 1.00 0.00 N ATOM 452 CA VAL A 32 3.534 3.710 3.811 1.00 0.00 C ATOM 453 C VAL A 32 3.918 2.238 3.918 1.00 0.00 C ATOM 454 O VAL A 32 4.438 1.794 4.942 1.00 0.00 O ATOM 455 CB VAL A 32 4.721 4.574 4.277 1.00 0.00 C ATOM 456 CG1 VAL A 32 5.982 4.209 3.508 1.00 0.00 C ATOM 457 CG2 VAL A 32 4.399 6.052 4.118 1.00 0.00 C ATOM 0 H VAL A 32 2.273 3.499 5.473 1.00 0.00 H new ATOM 0 HA VAL A 32 3.306 3.949 2.772 1.00 0.00 H new ATOM 0 HB VAL A 32 4.899 4.376 5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.810 4.830 3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.221 3.159 3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.820 4.376 2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.249 6.647 4.452 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.194 6.269 3.070 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.524 6.300 4.718 1.00 0.00 H new ATOM 467 N LEU A 33 3.659 1.487 2.854 1.00 0.00 N ATOM 468 CA LEU A 33 3.978 0.064 2.826 1.00 0.00 C ATOM 469 C LEU A 33 5.456 -0.158 2.519 1.00 0.00 C ATOM 470 O LEU A 33 6.031 0.516 1.664 1.00 0.00 O ATOM 471 CB LEU A 33 3.116 -0.652 1.785 1.00 0.00 C ATOM 472 CG LEU A 33 1.802 -1.244 2.294 1.00 0.00 C ATOM 473 CD1 LEU A 33 1.092 -0.259 3.210 1.00 0.00 C ATOM 474 CD2 LEU A 33 0.904 -1.632 1.128 1.00 0.00 C ATOM 0 H LEU A 33 3.229 1.840 1.999 1.00 0.00 H new ATOM 0 HA LEU A 33 3.765 -0.350 3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.888 0.052 0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.706 -1.455 1.344 1.00 0.00 H new ATOM 0 HG LEU A 33 2.029 -2.143 2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.159 -0.698 3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.731 -0.030 4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.877 0.658 2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.027 -2.052 1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.685 -0.749 0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.410 -2.374 0.510 1.00 0.00 H new ATOM 486 N THR A 34 6.065 -1.108 3.221 1.00 0.00 N ATOM 487 CA THR A 34 7.475 -1.419 3.023 1.00 0.00 C ATOM 488 C THR A 34 7.653 -2.811 2.426 1.00 0.00 C ATOM 489 O THR A 34 7.357 -3.816 3.073 1.00 0.00 O ATOM 490 CB THR A 34 8.260 -1.336 4.346 1.00 0.00 C ATOM 491 OG1 THR A 34 7.844 -0.187 5.091 1.00 0.00 O ATOM 492 CG2 THR A 34 9.757 -1.263 4.083 1.00 0.00 C ATOM 0 H THR A 34 5.604 -1.676 3.932 1.00 0.00 H new ATOM 0 HA THR A 34 7.868 -0.676 2.329 1.00 0.00 H new ATOM 0 HB THR A 34 8.053 -2.237 4.924 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.346 -0.142 5.931 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.291 -1.205 5.032 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.075 -2.154 3.541 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.979 -0.378 3.487 1.00 0.00 H new ATOM 500 N CYS A 35 8.137 -2.862 1.191 1.00 0.00 N ATOM 501 CA CYS A 35 8.354 -4.132 0.506 1.00 0.00 C ATOM 502 C CYS A 35 9.672 -4.118 -0.262 1.00 0.00 C ATOM 503 O CYS A 35 9.783 -3.482 -1.309 1.00 0.00 O ATOM 504 CB CYS A 35 7.196 -4.425 -0.449 1.00 0.00 C ATOM 505 SG CYS A 35 6.853 -6.185 -0.675 1.00 0.00 S ATOM 0 H CYS A 35 8.387 -2.039 0.643 1.00 0.00 H new ATOM 0 HA CYS A 35 8.402 -4.919 1.259 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.297 -3.936 -0.074 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.419 -3.982 -1.420 1.00 0.00 H new ATOM 0 HG CYS A 35 6.019 -6.585 0.238 1.00 0.00 H new ATOM 511 N GLU A 36 10.667 -4.822 0.268 1.00 0.00 N ATOM 512 CA GLU A 36 11.978 -4.888 -0.368 1.00 0.00 C ATOM 513 C GLU A 36 12.100 -6.138 -1.234 1.00 0.00 C ATOM 514 O GLU A 36 11.397 -7.126 -1.021 1.00 0.00 O ATOM 515 CB GLU A 36 13.083 -4.877 0.691 1.00 0.00 C ATOM 516 CG GLU A 36 14.479 -4.720 0.111 1.00 0.00 C ATOM 517 CD GLU A 36 15.427 -4.009 1.057 1.00 0.00 C ATOM 518 OE1 GLU A 36 15.840 -4.630 2.059 1.00 0.00 O ATOM 519 OE2 GLU A 36 15.755 -2.833 0.797 1.00 0.00 O ATOM 0 H GLU A 36 10.591 -5.354 1.135 1.00 0.00 H new ATOM 0 HA GLU A 36 12.089 -4.012 -1.008 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.896 -4.063 1.391 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.038 -5.805 1.261 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.881 -5.704 -0.129 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.419 -4.163 -0.824 1.00 0.00 H new ATOM 526 N LEU A 37 12.998 -6.086 -2.212 1.00 0.00 N ATOM 527 CA LEU A 37 13.214 -7.214 -3.113 1.00 0.00 C ATOM 528 C LEU A 37 14.691 -7.586 -3.175 1.00 0.00 C ATOM 529 O LEU A 37 15.555 -6.809 -2.766 1.00 0.00 O ATOM 530 CB LEU A 37 12.701 -6.877 -4.514 1.00 0.00 C ATOM 531 CG LEU A 37 11.265 -6.361 -4.598 1.00 0.00 C ATOM 532 CD1 LEU A 37 10.971 -5.823 -5.990 1.00 0.00 C ATOM 533 CD2 LEU A 37 10.280 -7.461 -4.230 1.00 0.00 C ATOM 0 H LEU A 37 13.588 -5.276 -2.402 1.00 0.00 H new ATOM 0 HA LEU A 37 12.660 -8.069 -2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.361 -6.127 -4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.781 -7.771 -5.133 1.00 0.00 H new ATOM 0 HG LEU A 37 11.151 -5.545 -3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.944 -5.460 -6.030 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.654 -5.004 -6.215 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.104 -6.619 -6.723 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.263 -7.075 -4.295 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.396 -8.298 -4.918 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.475 -7.799 -3.212 1.00 0.00 H new ATOM 545 N CYS A 38 14.975 -8.777 -3.690 1.00 0.00 N ATOM 546 CA CYS A 38 16.349 -9.252 -3.807 1.00 0.00 C ATOM 547 C CYS A 38 16.966 -8.810 -5.130 1.00 0.00 C ATOM 548 O CYS A 38 18.044 -9.269 -5.507 1.00 0.00 O ATOM 549 CB CYS A 38 16.395 -10.777 -3.693 1.00 0.00 C ATOM 550 SG CYS A 38 15.565 -11.643 -5.045 1.00 0.00 S ATOM 0 H CYS A 38 14.272 -9.432 -4.033 1.00 0.00 H new ATOM 0 HA CYS A 38 16.929 -8.817 -2.993 1.00 0.00 H new ATOM 0 HB2 CYS A 38 17.436 -11.097 -3.656 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.937 -11.074 -2.750 1.00 0.00 H new ATOM 0 HG CYS A 38 15.473 -12.908 -4.759 1.00 0.00 H new ATOM 556 N ARG A 39 16.274 -7.918 -5.831 1.00 0.00 N ATOM 557 CA ARG A 39 16.753 -7.416 -7.113 1.00 0.00 C ATOM 558 C ARG A 39 16.253 -5.996 -7.363 1.00 0.00 C ATOM 559 O ARG A 39 15.101 -5.660 -7.085 1.00 0.00 O ATOM 560 CB ARG A 39 16.296 -8.336 -8.248 1.00 0.00 C ATOM 561 CG ARG A 39 17.064 -9.645 -8.317 1.00 0.00 C ATOM 562 CD ARG A 39 18.492 -9.428 -8.793 1.00 0.00 C ATOM 563 NE ARG A 39 19.361 -10.550 -8.446 1.00 0.00 N ATOM 564 CZ ARG A 39 20.677 -10.442 -8.300 1.00 0.00 C ATOM 565 NH1 ARG A 39 21.273 -9.269 -8.471 1.00 0.00 N ATOM 566 NH2 ARG A 39 21.400 -11.508 -7.983 1.00 0.00 N ATOM 0 H ARG A 39 15.380 -7.528 -5.533 1.00 0.00 H new ATOM 0 HA ARG A 39 17.842 -7.399 -7.084 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.235 -8.553 -8.124 1.00 0.00 H new ATOM 0 HB3 ARG A 39 16.405 -7.810 -9.197 1.00 0.00 H new ATOM 0 HG2 ARG A 39 17.074 -10.114 -7.333 1.00 0.00 H new ATOM 0 HG3 ARG A 39 16.554 -10.332 -8.993 1.00 0.00 H new ATOM 0 HD2 ARG A 39 18.496 -9.287 -9.874 1.00 0.00 H new ATOM 0 HD3 ARG A 39 18.887 -8.513 -8.350 1.00 0.00 H new ATOM 0 HE ARG A 39 18.934 -11.466 -8.308 1.00 0.00 H new ATOM 0 HH11 ARG A 39 20.721 -8.447 -8.715 1.00 0.00 H new ATOM 0 HH12 ARG A 39 22.284 -9.189 -8.358 1.00 0.00 H new ATOM 0 HH21 ARG A 39 20.946 -12.412 -7.851 1.00 0.00 H new ATOM 0 HH22 ARG A 39 22.410 -11.424 -7.871 1.00 0.00 H new ATOM 580 N PRO A 40 17.137 -5.142 -7.898 1.00 0.00 N ATOM 581 CA PRO A 40 16.809 -3.745 -8.197 1.00 0.00 C ATOM 582 C PRO A 40 15.831 -3.616 -9.360 1.00 0.00 C ATOM 583 O PRO A 40 14.821 -2.920 -9.259 1.00 0.00 O ATOM 584 CB PRO A 40 18.162 -3.133 -8.565 1.00 0.00 C ATOM 585 CG PRO A 40 18.978 -4.282 -9.050 1.00 0.00 C ATOM 586 CD PRO A 40 18.527 -5.475 -8.254 1.00 0.00 C ATOM 0 HA PRO A 40 16.318 -3.253 -7.357 1.00 0.00 H new ATOM 0 HB2 PRO A 40 18.055 -2.370 -9.336 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.627 -2.653 -7.704 1.00 0.00 H new ATOM 0 HG2 PRO A 40 18.827 -4.445 -10.117 1.00 0.00 H new ATOM 0 HG3 PRO A 40 20.042 -4.095 -8.904 1.00 0.00 H new ATOM 0 HD2 PRO A 40 18.583 -6.393 -8.839 1.00 0.00 H new ATOM 0 HD3 PRO A 40 19.144 -5.624 -7.368 1.00 0.00 H new ATOM 594 N TRP A 41 16.139 -4.289 -10.462 1.00 0.00 N ATOM 595 CA TRP A 41 15.286 -4.249 -11.645 1.00 0.00 C ATOM 596 C TRP A 41 14.141 -5.248 -11.525 1.00 0.00 C ATOM 597 O TRP A 41 13.650 -5.767 -12.527 1.00 0.00 O ATOM 598 CB TRP A 41 16.107 -4.545 -12.901 1.00 0.00 C ATOM 599 CG TRP A 41 17.215 -5.527 -12.669 1.00 0.00 C ATOM 600 CD1 TRP A 41 18.547 -5.248 -12.556 1.00 0.00 C ATOM 601 CD2 TRP A 41 17.086 -6.945 -12.524 1.00 0.00 C ATOM 602 NE1 TRP A 41 19.254 -6.408 -12.349 1.00 0.00 N ATOM 603 CE2 TRP A 41 18.381 -7.463 -12.324 1.00 0.00 C ATOM 604 CE3 TRP A 41 16.003 -7.828 -12.540 1.00 0.00 C ATOM 605 CZ2 TRP A 41 18.619 -8.823 -12.145 1.00 0.00 C ATOM 606 CZ3 TRP A 41 16.241 -9.178 -12.362 1.00 0.00 C ATOM 607 CH2 TRP A 41 17.541 -9.665 -12.166 1.00 0.00 C ATOM 0 H TRP A 41 16.972 -4.869 -10.562 1.00 0.00 H new ATOM 0 HA TRP A 41 14.863 -3.248 -11.723 1.00 0.00 H new ATOM 0 HB2 TRP A 41 15.445 -4.931 -13.676 1.00 0.00 H new ATOM 0 HB3 TRP A 41 16.530 -3.614 -13.278 1.00 0.00 H new ATOM 0 HD1 TRP A 41 18.981 -4.261 -12.620 1.00 0.00 H new ATOM 0 HE1 TRP A 41 20.265 -6.473 -12.233 1.00 0.00 H new ATOM 0 HE3 TRP A 41 14.998 -7.462 -12.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 19.620 -9.200 -11.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 15.411 -9.869 -12.374 1.00 0.00 H new ATOM 0 HH2 TRP A 41 17.694 -10.725 -12.029 1.00 0.00 H new ATOM 618 N ALA A 42 13.719 -5.513 -10.292 1.00 0.00 N ATOM 619 CA ALA A 42 12.630 -6.449 -10.042 1.00 0.00 C ATOM 620 C ALA A 42 11.283 -5.733 -10.034 1.00 0.00 C ATOM 621 O ALA A 42 10.982 -4.971 -9.117 1.00 0.00 O ATOM 622 CB ALA A 42 12.851 -7.177 -8.725 1.00 0.00 C ATOM 0 H ALA A 42 14.115 -5.092 -9.451 1.00 0.00 H new ATOM 0 HA ALA A 42 12.619 -7.180 -10.850 1.00 0.00 H new ATOM 0 HB1 ALA A 42 12.030 -7.873 -8.552 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.791 -7.728 -8.767 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.891 -6.453 -7.911 1.00 0.00 H new ATOM 628 N GLU A 43 10.478 -5.985 -11.061 1.00 0.00 N ATOM 629 CA GLU A 43 9.164 -5.363 -11.171 1.00 0.00 C ATOM 630 C GLU A 43 8.132 -6.120 -10.341 1.00 0.00 C ATOM 631 O GLU A 43 8.060 -7.348 -10.388 1.00 0.00 O ATOM 632 CB GLU A 43 8.719 -5.313 -12.635 1.00 0.00 C ATOM 633 CG GLU A 43 7.276 -4.874 -12.818 1.00 0.00 C ATOM 634 CD GLU A 43 6.921 -4.630 -14.272 1.00 0.00 C ATOM 635 OE1 GLU A 43 7.697 -3.941 -14.965 1.00 0.00 O ATOM 636 OE2 GLU A 43 5.865 -5.130 -14.715 1.00 0.00 O ATOM 0 H GLU A 43 10.712 -6.615 -11.828 1.00 0.00 H new ATOM 0 HA GLU A 43 9.239 -4.346 -10.786 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.370 -4.630 -13.181 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.849 -6.300 -13.079 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.613 -5.637 -12.409 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.102 -3.962 -12.247 1.00 0.00 H new ATOM 643 N VAL A 44 7.334 -5.379 -9.579 1.00 0.00 N ATOM 644 CA VAL A 44 6.306 -5.979 -8.737 1.00 0.00 C ATOM 645 C VAL A 44 4.925 -5.435 -9.085 1.00 0.00 C ATOM 646 O VAL A 44 4.799 -4.462 -9.829 1.00 0.00 O ATOM 647 CB VAL A 44 6.584 -5.726 -7.244 1.00 0.00 C ATOM 648 CG1 VAL A 44 7.975 -6.213 -6.870 1.00 0.00 C ATOM 649 CG2 VAL A 44 6.420 -4.250 -6.915 1.00 0.00 C ATOM 0 H VAL A 44 7.380 -4.361 -9.527 1.00 0.00 H new ATOM 0 HA VAL A 44 6.329 -7.052 -8.926 1.00 0.00 H new ATOM 0 HB VAL A 44 5.859 -6.289 -6.656 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.154 -6.026 -5.811 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.051 -7.282 -7.067 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.719 -5.681 -7.463 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.620 -4.089 -5.856 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.121 -3.665 -7.510 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.401 -3.937 -7.143 1.00 0.00 H new ATOM 659 N ARG A 45 3.891 -6.069 -8.542 1.00 0.00 N ATOM 660 CA ARG A 45 2.518 -5.649 -8.796 1.00 0.00 C ATOM 661 C ARG A 45 1.642 -5.882 -7.568 1.00 0.00 C ATOM 662 O ARG A 45 1.589 -6.990 -7.033 1.00 0.00 O ATOM 663 CB ARG A 45 1.944 -6.405 -9.995 1.00 0.00 C ATOM 664 CG ARG A 45 0.429 -6.326 -10.097 1.00 0.00 C ATOM 665 CD ARG A 45 -0.086 -7.069 -11.320 1.00 0.00 C ATOM 666 NE ARG A 45 0.336 -8.467 -11.329 1.00 0.00 N ATOM 667 CZ ARG A 45 -0.274 -9.414 -12.032 1.00 0.00 C ATOM 668 NH1 ARG A 45 -1.328 -9.115 -12.780 1.00 0.00 N ATOM 669 NH2 ARG A 45 0.170 -10.664 -11.989 1.00 0.00 N ATOM 0 H ARG A 45 3.978 -6.875 -7.923 1.00 0.00 H new ATOM 0 HA ARG A 45 2.527 -4.582 -9.018 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.383 -6.005 -10.909 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.241 -7.452 -9.930 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.020 -6.748 -9.198 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.120 -5.282 -10.148 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.175 -7.019 -11.343 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.275 -6.576 -12.222 1.00 0.00 H new ATOM 0 HE ARG A 45 1.144 -8.730 -10.764 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.672 -8.155 -12.816 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.794 -9.845 -13.319 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.980 -10.898 -11.416 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.299 -11.391 -12.529 1.00 0.00 H new ATOM 683 N TRP A 46 0.960 -4.832 -7.127 1.00 0.00 N ATOM 684 CA TRP A 46 0.087 -4.923 -5.961 1.00 0.00 C ATOM 685 C TRP A 46 -1.332 -5.299 -6.372 1.00 0.00 C ATOM 686 O TRP A 46 -1.877 -4.756 -7.333 1.00 0.00 O ATOM 687 CB TRP A 46 0.076 -3.595 -5.202 1.00 0.00 C ATOM 688 CG TRP A 46 1.439 -3.151 -4.762 1.00 0.00 C ATOM 689 CD1 TRP A 46 2.393 -2.549 -5.532 1.00 0.00 C ATOM 690 CD2 TRP A 46 1.998 -3.276 -3.451 1.00 0.00 C ATOM 691 NE1 TRP A 46 3.512 -2.292 -4.777 1.00 0.00 N ATOM 692 CE2 TRP A 46 3.295 -2.728 -3.497 1.00 0.00 C ATOM 693 CE3 TRP A 46 1.530 -3.796 -2.241 1.00 0.00 C ATOM 694 CZ2 TRP A 46 4.126 -2.688 -2.381 1.00 0.00 C ATOM 695 CZ3 TRP A 46 2.356 -3.755 -1.134 1.00 0.00 C ATOM 696 CH2 TRP A 46 3.642 -3.204 -1.210 1.00 0.00 C ATOM 0 H TRP A 46 0.994 -3.908 -7.558 1.00 0.00 H new ATOM 0 HA TRP A 46 0.475 -5.704 -5.307 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.362 -2.825 -5.838 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.567 -3.690 -4.327 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.284 -2.310 -6.580 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.366 -1.848 -5.115 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.540 -4.222 -2.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.118 -2.265 -2.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.004 -4.154 -0.194 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.263 -3.186 -0.327 1.00 0.00 H new ATOM 707 N THR A 47 -1.928 -6.234 -5.637 1.00 0.00 N ATOM 708 CA THR A 47 -3.284 -6.683 -5.926 1.00 0.00 C ATOM 709 C THR A 47 -4.199 -6.478 -4.724 1.00 0.00 C ATOM 710 O THR A 47 -3.893 -6.916 -3.615 1.00 0.00 O ATOM 711 CB THR A 47 -3.309 -8.170 -6.327 1.00 0.00 C ATOM 712 OG1 THR A 47 -2.598 -8.951 -5.360 1.00 0.00 O ATOM 713 CG2 THR A 47 -2.690 -8.370 -7.702 1.00 0.00 C ATOM 0 H THR A 47 -1.492 -6.694 -4.838 1.00 0.00 H new ATOM 0 HA THR A 47 -3.645 -6.082 -6.761 1.00 0.00 H new ATOM 0 HB THR A 47 -4.348 -8.496 -6.363 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.678 -8.621 -5.285 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.719 -9.428 -7.964 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.252 -7.798 -8.441 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.655 -8.028 -7.688 1.00 0.00 H new ATOM 721 N LYS A 48 -5.325 -5.809 -4.951 1.00 0.00 N ATOM 722 CA LYS A 48 -6.287 -5.547 -3.887 1.00 0.00 C ATOM 723 C LYS A 48 -7.542 -6.394 -4.068 1.00 0.00 C ATOM 724 O LYS A 48 -8.411 -6.068 -4.878 1.00 0.00 O ATOM 725 CB LYS A 48 -6.659 -4.062 -3.863 1.00 0.00 C ATOM 726 CG LYS A 48 -7.019 -3.548 -2.480 1.00 0.00 C ATOM 727 CD LYS A 48 -8.508 -3.678 -2.207 1.00 0.00 C ATOM 728 CE LYS A 48 -8.913 -2.916 -0.955 1.00 0.00 C ATOM 729 NZ LYS A 48 -10.247 -3.346 -0.451 1.00 0.00 N ATOM 0 H LYS A 48 -5.593 -5.438 -5.863 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.824 -5.815 -2.937 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.823 -3.480 -4.252 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.502 -3.896 -4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.460 -4.104 -1.727 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.722 -2.503 -2.390 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.070 -3.301 -3.061 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.768 -4.731 -2.094 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.164 -3.070 -0.178 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.933 -1.848 -1.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.442 -2.878 0.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.980 -3.083 -1.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.252 -4.377 -0.317 1.00 0.00 H new ATOM 743 N ASP A 49 -7.632 -7.480 -3.309 1.00 0.00 N ATOM 744 CA ASP A 49 -8.783 -8.373 -3.383 1.00 0.00 C ATOM 745 C ASP A 49 -8.776 -9.159 -4.691 1.00 0.00 C ATOM 746 O ASP A 49 -9.828 -9.429 -5.269 1.00 0.00 O ATOM 747 CB ASP A 49 -10.082 -7.575 -3.259 1.00 0.00 C ATOM 748 CG ASP A 49 -11.282 -8.462 -2.994 1.00 0.00 C ATOM 749 OD1 ASP A 49 -11.353 -9.050 -1.895 1.00 0.00 O ATOM 750 OD2 ASP A 49 -12.150 -8.569 -3.886 1.00 0.00 O ATOM 0 H ASP A 49 -6.921 -7.764 -2.635 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.720 -9.079 -2.555 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.984 -6.850 -2.451 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.247 -7.010 -4.176 1.00 0.00 H new ATOM 755 N GLY A 50 -7.583 -9.522 -5.151 1.00 0.00 N ATOM 756 CA GLY A 50 -7.463 -10.273 -6.387 1.00 0.00 C ATOM 757 C GLY A 50 -7.235 -9.378 -7.589 1.00 0.00 C ATOM 758 O GLY A 50 -6.582 -9.776 -8.553 1.00 0.00 O ATOM 0 H GLY A 50 -6.698 -9.310 -4.690 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.637 -10.978 -6.301 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.368 -10.860 -6.541 1.00 0.00 H new ATOM 762 N GLU A 51 -7.777 -8.165 -7.533 1.00 0.00 N ATOM 763 CA GLU A 51 -7.632 -7.213 -8.628 1.00 0.00 C ATOM 764 C GLU A 51 -6.313 -6.453 -8.516 1.00 0.00 C ATOM 765 O GLU A 51 -5.751 -6.322 -7.429 1.00 0.00 O ATOM 766 CB GLU A 51 -8.802 -6.227 -8.634 1.00 0.00 C ATOM 767 CG GLU A 51 -10.159 -6.893 -8.787 1.00 0.00 C ATOM 768 CD GLU A 51 -10.659 -7.502 -7.491 1.00 0.00 C ATOM 769 OE1 GLU A 51 -10.550 -6.835 -6.441 1.00 0.00 O ATOM 770 OE2 GLU A 51 -11.159 -8.646 -7.528 1.00 0.00 O ATOM 0 H GLU A 51 -8.320 -7.819 -6.742 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.632 -7.771 -9.564 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.790 -5.656 -7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.662 -5.515 -9.448 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.882 -6.159 -9.142 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.094 -7.670 -9.548 1.00 0.00 H new ATOM 777 N GLU A 52 -5.825 -5.955 -9.648 1.00 0.00 N ATOM 778 CA GLU A 52 -4.572 -5.210 -9.677 1.00 0.00 C ATOM 779 C GLU A 52 -4.824 -3.715 -9.507 1.00 0.00 C ATOM 780 O GLU A 52 -5.386 -3.064 -10.389 1.00 0.00 O ATOM 781 CB GLU A 52 -3.831 -5.467 -10.991 1.00 0.00 C ATOM 782 CG GLU A 52 -2.639 -4.549 -11.207 1.00 0.00 C ATOM 783 CD GLU A 52 -2.214 -4.478 -12.661 1.00 0.00 C ATOM 784 OE1 GLU A 52 -3.062 -4.737 -13.541 1.00 0.00 O ATOM 785 OE2 GLU A 52 -1.034 -4.162 -12.918 1.00 0.00 O ATOM 0 H GLU A 52 -6.278 -6.054 -10.556 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.955 -5.554 -8.847 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.490 -6.502 -11.010 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.527 -5.346 -11.821 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.888 -3.548 -10.856 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.801 -4.899 -10.604 1.00 0.00 H new ATOM 792 N VAL A 53 -4.406 -3.176 -8.366 1.00 0.00 N ATOM 793 CA VAL A 53 -4.585 -1.758 -8.080 1.00 0.00 C ATOM 794 C VAL A 53 -4.065 -0.896 -9.224 1.00 0.00 C ATOM 795 O VAL A 53 -3.005 -1.166 -9.788 1.00 0.00 O ATOM 796 CB VAL A 53 -3.866 -1.353 -6.779 1.00 0.00 C ATOM 797 CG1 VAL A 53 -4.545 -1.986 -5.574 1.00 0.00 C ATOM 798 CG2 VAL A 53 -2.397 -1.743 -6.840 1.00 0.00 C ATOM 0 H VAL A 53 -3.941 -3.700 -7.625 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.656 -1.592 -7.962 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.927 -0.270 -6.672 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.023 -1.689 -4.664 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.581 -1.652 -5.523 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.518 -3.071 -5.669 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.904 -1.450 -5.913 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.312 -2.822 -6.971 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.921 -1.237 -7.680 1.00 0.00 H new ATOM 808 N VAL A 54 -4.819 0.145 -9.564 1.00 0.00 N ATOM 809 CA VAL A 54 -4.434 1.049 -10.641 1.00 0.00 C ATOM 810 C VAL A 54 -4.114 2.440 -10.103 1.00 0.00 C ATOM 811 O VAL A 54 -4.850 2.981 -9.279 1.00 0.00 O ATOM 812 CB VAL A 54 -5.546 1.164 -11.701 1.00 0.00 C ATOM 813 CG1 VAL A 54 -6.802 1.769 -11.095 1.00 0.00 C ATOM 814 CG2 VAL A 54 -5.066 1.987 -12.887 1.00 0.00 C ATOM 0 H VAL A 54 -5.700 0.383 -9.109 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.542 0.628 -11.105 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.790 0.163 -12.057 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.576 1.842 -11.859 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.155 1.136 -10.281 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.577 2.764 -10.710 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.863 2.059 -13.627 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.793 2.987 -12.549 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.197 1.506 -13.336 1.00 0.00 H new ATOM 824 N GLU A 55 -3.012 3.012 -10.576 1.00 0.00 N ATOM 825 CA GLU A 55 -2.594 4.340 -10.142 1.00 0.00 C ATOM 826 C GLU A 55 -3.782 5.297 -10.101 1.00 0.00 C ATOM 827 O GLU A 55 -4.709 5.188 -10.904 1.00 0.00 O ATOM 828 CB GLU A 55 -1.514 4.890 -11.076 1.00 0.00 C ATOM 829 CG GLU A 55 -0.102 4.511 -10.662 1.00 0.00 C ATOM 830 CD GLU A 55 0.840 4.393 -11.845 1.00 0.00 C ATOM 831 OE1 GLU A 55 0.638 5.121 -12.839 1.00 0.00 O ATOM 832 OE2 GLU A 55 1.779 3.573 -11.776 1.00 0.00 O ATOM 0 H GLU A 55 -2.392 2.577 -11.260 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.184 4.253 -9.136 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.698 4.524 -12.086 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.594 5.976 -11.111 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.283 5.259 -9.969 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.127 3.562 -10.126 1.00 0.00 H new ATOM 839 N SER A 56 -3.747 6.235 -9.160 1.00 0.00 N ATOM 840 CA SER A 56 -4.822 7.208 -9.010 1.00 0.00 C ATOM 841 C SER A 56 -4.429 8.303 -8.023 1.00 0.00 C ATOM 842 O SER A 56 -3.437 8.198 -7.301 1.00 0.00 O ATOM 843 CB SER A 56 -6.103 6.517 -8.540 1.00 0.00 C ATOM 844 OG SER A 56 -5.819 5.257 -7.957 1.00 0.00 O ATOM 0 H SER A 56 -2.985 6.342 -8.490 1.00 0.00 H new ATOM 0 HA SER A 56 -5.002 7.667 -9.982 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.616 7.149 -7.815 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.780 6.386 -9.384 1.00 0.00 H new ATOM 0 HG SER A 56 -6.654 4.837 -7.664 1.00 0.00 H new ATOM 850 N PRO A 57 -5.226 9.382 -7.989 1.00 0.00 N ATOM 851 CA PRO A 57 -4.983 10.518 -7.095 1.00 0.00 C ATOM 852 C PRO A 57 -5.232 10.167 -5.632 1.00 0.00 C ATOM 853 O PRO A 57 -5.099 11.015 -4.750 1.00 0.00 O ATOM 854 CB PRO A 57 -5.990 11.567 -7.572 1.00 0.00 C ATOM 855 CG PRO A 57 -7.084 10.780 -8.208 1.00 0.00 C ATOM 856 CD PRO A 57 -6.425 9.576 -8.821 1.00 0.00 C ATOM 0 HA PRO A 57 -3.947 10.854 -7.135 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.364 12.164 -6.740 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.535 12.258 -8.282 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.831 10.484 -7.471 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.600 11.370 -8.965 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.078 8.704 -8.794 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.166 9.748 -9.866 1.00 0.00 H new ATOM 864 N ALA A 58 -5.593 8.913 -5.382 1.00 0.00 N ATOM 865 CA ALA A 58 -5.858 8.450 -4.025 1.00 0.00 C ATOM 866 C ALA A 58 -4.899 7.332 -3.630 1.00 0.00 C ATOM 867 O ALA A 58 -4.804 6.968 -2.457 1.00 0.00 O ATOM 868 CB ALA A 58 -7.300 7.981 -3.900 1.00 0.00 C ATOM 0 H ALA A 58 -5.709 8.199 -6.101 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.700 9.286 -3.344 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.484 7.638 -2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.973 8.807 -4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.478 7.162 -4.597 1.00 0.00 H new ATOM 874 N LEU A 59 -4.190 6.791 -4.614 1.00 0.00 N ATOM 875 CA LEU A 59 -3.239 5.713 -4.369 1.00 0.00 C ATOM 876 C LEU A 59 -1.928 5.966 -5.107 1.00 0.00 C ATOM 877 O LEU A 59 -1.839 5.776 -6.321 1.00 0.00 O ATOM 878 CB LEU A 59 -3.832 4.373 -4.806 1.00 0.00 C ATOM 879 CG LEU A 59 -2.914 3.157 -4.675 1.00 0.00 C ATOM 880 CD1 LEU A 59 -3.722 1.909 -4.355 1.00 0.00 C ATOM 881 CD2 LEU A 59 -2.106 2.960 -5.949 1.00 0.00 C ATOM 0 H LEU A 59 -4.256 7.081 -5.590 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.033 5.680 -3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.732 4.188 -4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.142 4.458 -5.847 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.221 3.336 -3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.051 1.054 -4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.255 2.052 -3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.439 1.725 -5.155 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.458 2.090 -5.838 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.783 2.803 -6.789 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.497 3.845 -6.134 1.00 0.00 H new ATOM 893 N LEU A 60 -0.911 6.393 -4.366 1.00 0.00 N ATOM 894 CA LEU A 60 0.397 6.669 -4.949 1.00 0.00 C ATOM 895 C LEU A 60 1.323 5.465 -4.806 1.00 0.00 C ATOM 896 O LEU A 60 1.478 4.913 -3.716 1.00 0.00 O ATOM 897 CB LEU A 60 1.027 7.892 -4.280 1.00 0.00 C ATOM 898 CG LEU A 60 0.179 9.165 -4.273 1.00 0.00 C ATOM 899 CD1 LEU A 60 0.858 10.254 -3.458 1.00 0.00 C ATOM 900 CD2 LEU A 60 -0.079 9.642 -5.694 1.00 0.00 C ATOM 0 H LEU A 60 -0.967 6.555 -3.361 1.00 0.00 H new ATOM 0 HA LEU A 60 0.258 6.873 -6.011 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.267 7.634 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.970 8.110 -4.782 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.780 8.937 -3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.240 11.152 -3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.990 9.912 -2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.832 10.480 -3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.684 10.549 -5.669 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.871 9.853 -6.185 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.609 8.867 -6.247 1.00 0.00 H new ATOM 912 N LEU A 61 1.937 5.063 -5.914 1.00 0.00 N ATOM 913 CA LEU A 61 2.850 3.925 -5.912 1.00 0.00 C ATOM 914 C LEU A 61 4.302 4.392 -5.931 1.00 0.00 C ATOM 915 O LEU A 61 4.792 4.885 -6.947 1.00 0.00 O ATOM 916 CB LEU A 61 2.576 3.025 -7.119 1.00 0.00 C ATOM 917 CG LEU A 61 1.165 2.443 -7.215 1.00 0.00 C ATOM 918 CD1 LEU A 61 1.028 1.578 -8.459 1.00 0.00 C ATOM 919 CD2 LEU A 61 0.832 1.641 -5.966 1.00 0.00 C ATOM 0 H LEU A 61 1.819 5.508 -6.824 1.00 0.00 H new ATOM 0 HA LEU A 61 2.682 3.357 -4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.774 3.597 -8.026 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.288 2.200 -7.101 1.00 0.00 H new ATOM 0 HG LEU A 61 0.457 3.268 -7.291 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.018 1.172 -8.511 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.222 2.182 -9.345 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.746 0.759 -8.414 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.176 1.235 -6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.545 0.824 -5.858 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.888 2.289 -5.092 1.00 0.00 H new ATOM 931 N GLN A 62 4.984 4.231 -4.802 1.00 0.00 N ATOM 932 CA GLN A 62 6.381 4.634 -4.690 1.00 0.00 C ATOM 933 C GLN A 62 7.312 3.474 -5.029 1.00 0.00 C ATOM 934 O GLN A 62 6.998 2.314 -4.761 1.00 0.00 O ATOM 935 CB GLN A 62 6.675 5.144 -3.278 1.00 0.00 C ATOM 936 CG GLN A 62 6.048 6.496 -2.976 1.00 0.00 C ATOM 937 CD GLN A 62 6.167 7.466 -4.136 1.00 0.00 C ATOM 938 OE1 GLN A 62 7.182 7.498 -4.831 1.00 0.00 O ATOM 939 NE2 GLN A 62 5.126 8.262 -4.350 1.00 0.00 N ATOM 0 H GLN A 62 4.592 3.825 -3.952 1.00 0.00 H new ATOM 0 HA GLN A 62 6.559 5.438 -5.404 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.311 4.415 -2.554 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.754 5.215 -3.144 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.995 6.357 -2.730 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.527 6.926 -2.097 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.305 8.201 -3.748 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.147 8.935 -5.116 1.00 0.00 H new ATOM 948 N LYS A 63 8.458 3.795 -5.620 1.00 0.00 N ATOM 949 CA LYS A 63 9.436 2.781 -5.995 1.00 0.00 C ATOM 950 C LYS A 63 10.853 3.251 -5.685 1.00 0.00 C ATOM 951 O LYS A 63 11.351 4.194 -6.298 1.00 0.00 O ATOM 952 CB LYS A 63 9.311 2.449 -7.484 1.00 0.00 C ATOM 953 CG LYS A 63 7.924 1.981 -7.888 1.00 0.00 C ATOM 954 CD LYS A 63 7.684 2.169 -9.377 1.00 0.00 C ATOM 955 CE LYS A 63 7.201 3.577 -9.690 1.00 0.00 C ATOM 956 NZ LYS A 63 6.622 3.673 -11.059 1.00 0.00 N ATOM 0 H LYS A 63 8.732 4.750 -5.850 1.00 0.00 H new ATOM 0 HA LYS A 63 9.234 1.883 -5.411 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.572 3.332 -8.068 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.035 1.674 -7.737 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.804 0.929 -7.629 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.173 2.535 -7.325 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.606 1.970 -9.923 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.946 1.445 -9.722 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.452 3.875 -8.957 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.033 4.275 -9.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.304 4.648 -11.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.344 3.413 -11.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.812 3.025 -11.140 1.00 0.00 H new ATOM 970 N GLU A 64 11.497 2.586 -4.731 1.00 0.00 N ATOM 971 CA GLU A 64 12.858 2.937 -4.341 1.00 0.00 C ATOM 972 C GLU A 64 13.878 2.210 -5.213 1.00 0.00 C ATOM 973 O GLU A 64 13.516 1.523 -6.168 1.00 0.00 O ATOM 974 CB GLU A 64 13.094 2.596 -2.868 1.00 0.00 C ATOM 975 CG GLU A 64 13.874 3.660 -2.115 1.00 0.00 C ATOM 976 CD GLU A 64 13.225 5.028 -2.198 1.00 0.00 C ATOM 977 OE1 GLU A 64 11.977 5.094 -2.176 1.00 0.00 O ATOM 978 OE2 GLU A 64 13.962 6.032 -2.283 1.00 0.00 O ATOM 0 H GLU A 64 11.099 1.802 -4.214 1.00 0.00 H new ATOM 0 HA GLU A 64 12.984 4.010 -4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.131 2.449 -2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.632 1.650 -2.804 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.963 3.367 -1.069 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.885 3.717 -2.518 1.00 0.00 H new ATOM 985 N ASP A 65 15.153 2.367 -4.876 1.00 0.00 N ATOM 986 CA ASP A 65 16.227 1.726 -5.627 1.00 0.00 C ATOM 987 C ASP A 65 15.967 0.230 -5.777 1.00 0.00 C ATOM 988 O ASP A 65 15.859 -0.284 -6.890 1.00 0.00 O ATOM 989 CB ASP A 65 17.570 1.956 -4.934 1.00 0.00 C ATOM 990 CG ASP A 65 18.266 3.212 -5.423 1.00 0.00 C ATOM 991 OD1 ASP A 65 17.891 4.313 -4.968 1.00 0.00 O ATOM 992 OD2 ASP A 65 19.186 3.093 -6.258 1.00 0.00 O ATOM 0 H ASP A 65 15.469 2.932 -4.088 1.00 0.00 H new ATOM 0 HA ASP A 65 16.259 2.172 -6.621 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.413 2.027 -3.858 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.216 1.095 -5.106 1.00 0.00 H new ATOM 997 N THR A 66 15.869 -0.464 -4.647 1.00 0.00 N ATOM 998 CA THR A 66 15.624 -1.901 -4.652 1.00 0.00 C ATOM 999 C THR A 66 14.418 -2.256 -3.790 1.00 0.00 C ATOM 1000 O THR A 66 14.038 -3.423 -3.687 1.00 0.00 O ATOM 1001 CB THR A 66 16.852 -2.681 -4.144 1.00 0.00 C ATOM 1002 OG1 THR A 66 17.322 -2.111 -2.917 1.00 0.00 O ATOM 1003 CG2 THR A 66 17.968 -2.665 -5.177 1.00 0.00 C ATOM 0 H THR A 66 15.956 -0.054 -3.717 1.00 0.00 H new ATOM 0 HA THR A 66 15.424 -2.185 -5.685 1.00 0.00 H new ATOM 0 HB THR A 66 16.552 -3.715 -3.972 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.101 -2.614 -2.600 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.824 -3.222 -4.796 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.616 -3.127 -6.100 1.00 0.00 H new ATOM 0 HG23 THR A 66 18.264 -1.635 -5.376 1.00 0.00 H new ATOM 1011 N VAL A 67 13.819 -1.243 -3.172 1.00 0.00 N ATOM 1012 CA VAL A 67 12.654 -1.449 -2.320 1.00 0.00 C ATOM 1013 C VAL A 67 11.463 -0.634 -2.812 1.00 0.00 C ATOM 1014 O VAL A 67 11.612 0.518 -3.219 1.00 0.00 O ATOM 1015 CB VAL A 67 12.953 -1.068 -0.858 1.00 0.00 C ATOM 1016 CG1 VAL A 67 13.742 0.231 -0.795 1.00 0.00 C ATOM 1017 CG2 VAL A 67 11.662 -0.957 -0.062 1.00 0.00 C ATOM 0 H VAL A 67 14.121 -0.272 -3.245 1.00 0.00 H new ATOM 0 HA VAL A 67 12.410 -2.510 -2.369 1.00 0.00 H new ATOM 0 HB VAL A 67 13.561 -1.856 -0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 67 13.944 0.484 0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 67 14.685 0.110 -1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.163 1.031 -1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.892 -0.687 0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.026 -0.190 -0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.141 -1.914 -0.079 1.00 0.00 H new ATOM 1027 N ARG A 68 10.281 -1.241 -2.771 1.00 0.00 N ATOM 1028 CA ARG A 68 9.063 -0.572 -3.213 1.00 0.00 C ATOM 1029 C ARG A 68 8.204 -0.162 -2.021 1.00 0.00 C ATOM 1030 O ARG A 68 8.305 -0.745 -0.941 1.00 0.00 O ATOM 1031 CB ARG A 68 8.263 -1.486 -4.143 1.00 0.00 C ATOM 1032 CG ARG A 68 9.098 -2.116 -5.245 1.00 0.00 C ATOM 1033 CD ARG A 68 9.096 -1.262 -6.503 1.00 0.00 C ATOM 1034 NE ARG A 68 7.900 -1.481 -7.312 1.00 0.00 N ATOM 1035 CZ ARG A 68 7.847 -1.260 -8.620 1.00 0.00 C ATOM 1036 NH1 ARG A 68 8.917 -0.816 -9.265 1.00 0.00 N ATOM 1037 NH2 ARG A 68 6.721 -1.483 -9.287 1.00 0.00 N ATOM 0 H ARG A 68 10.141 -2.194 -2.436 1.00 0.00 H new ATOM 0 HA ARG A 68 9.350 0.328 -3.758 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.801 -2.277 -3.552 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.454 -0.912 -4.595 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.122 -2.249 -4.896 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.709 -3.107 -5.476 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.159 -0.210 -6.227 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.982 -1.489 -7.097 1.00 0.00 H new ATOM 0 HE ARG A 68 7.059 -1.823 -6.846 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.784 -0.643 -8.756 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.873 -0.647 -10.270 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.896 -1.824 -8.795 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.681 -1.313 -10.292 1.00 0.00 H new ATOM 1051 N ARG A 69 7.359 0.843 -2.224 1.00 0.00 N ATOM 1052 CA ARG A 69 6.484 1.332 -1.165 1.00 0.00 C ATOM 1053 C ARG A 69 5.187 1.889 -1.746 1.00 0.00 C ATOM 1054 O ARG A 69 5.192 2.540 -2.791 1.00 0.00 O ATOM 1055 CB ARG A 69 7.193 2.411 -0.346 1.00 0.00 C ATOM 1056 CG ARG A 69 8.345 1.881 0.492 1.00 0.00 C ATOM 1057 CD ARG A 69 8.537 2.700 1.759 1.00 0.00 C ATOM 1058 NE ARG A 69 9.920 2.670 2.227 1.00 0.00 N ATOM 1059 CZ ARG A 69 10.888 3.414 1.705 1.00 0.00 C ATOM 1060 NH1 ARG A 69 10.626 4.243 0.704 1.00 0.00 N ATOM 1061 NH2 ARG A 69 12.122 3.331 2.186 1.00 0.00 N ATOM 0 H ARG A 69 7.262 1.335 -3.112 1.00 0.00 H new ATOM 0 HA ARG A 69 6.240 0.493 -0.513 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.570 3.179 -1.021 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.468 2.892 0.311 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.156 0.840 0.756 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.262 1.899 -0.096 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.240 3.732 1.572 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.882 2.317 2.541 1.00 0.00 H new ATOM 0 HE ARG A 69 10.155 2.043 2.997 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.678 4.311 0.333 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.372 4.813 0.305 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.327 2.695 2.957 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.865 3.903 1.785 1.00 0.00 H new ATOM 1075 N LEU A 70 4.079 1.628 -1.062 1.00 0.00 N ATOM 1076 CA LEU A 70 2.774 2.103 -1.509 1.00 0.00 C ATOM 1077 C LEU A 70 2.224 3.161 -0.558 1.00 0.00 C ATOM 1078 O LEU A 70 1.745 2.844 0.530 1.00 0.00 O ATOM 1079 CB LEU A 70 1.793 0.934 -1.613 1.00 0.00 C ATOM 1080 CG LEU A 70 0.309 1.303 -1.620 1.00 0.00 C ATOM 1081 CD1 LEU A 70 0.020 2.334 -2.700 1.00 0.00 C ATOM 1082 CD2 LEU A 70 -0.548 0.062 -1.822 1.00 0.00 C ATOM 0 H LEU A 70 4.058 1.090 -0.196 1.00 0.00 H new ATOM 0 HA LEU A 70 2.897 2.555 -2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.014 0.380 -2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.975 0.257 -0.778 1.00 0.00 H new ATOM 0 HG LEU A 70 0.059 1.740 -0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.041 2.584 -2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.607 3.233 -2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.287 1.925 -3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.601 0.343 -1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.295 -0.404 -2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.363 -0.644 -1.012 1.00 0.00 H new ATOM 1094 N VAL A 71 2.295 4.420 -0.978 1.00 0.00 N ATOM 1095 CA VAL A 71 1.802 5.526 -0.165 1.00 0.00 C ATOM 1096 C VAL A 71 0.414 5.965 -0.619 1.00 0.00 C ATOM 1097 O VAL A 71 0.148 6.080 -1.816 1.00 0.00 O ATOM 1098 CB VAL A 71 2.755 6.734 -0.222 1.00 0.00 C ATOM 1099 CG1 VAL A 71 2.138 7.935 0.479 1.00 0.00 C ATOM 1100 CG2 VAL A 71 4.101 6.380 0.393 1.00 0.00 C ATOM 0 H VAL A 71 2.689 4.700 -1.876 1.00 0.00 H new ATOM 0 HA VAL A 71 1.748 5.164 0.862 1.00 0.00 H new ATOM 0 HB VAL A 71 2.917 6.998 -1.267 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.826 8.779 0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.201 8.201 -0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.944 7.687 1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.762 7.245 0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.960 6.089 1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.546 5.552 -0.158 1.00 0.00 H new ATOM 1110 N LEU A 72 -0.468 6.209 0.344 1.00 0.00 N ATOM 1111 CA LEU A 72 -1.830 6.637 0.043 1.00 0.00 C ATOM 1112 C LEU A 72 -2.140 7.973 0.711 1.00 0.00 C ATOM 1113 O LEU A 72 -2.353 8.056 1.920 1.00 0.00 O ATOM 1114 CB LEU A 72 -2.832 5.578 0.506 1.00 0.00 C ATOM 1115 CG LEU A 72 -2.845 4.273 -0.291 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -1.646 3.412 0.073 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -4.142 3.514 -0.050 1.00 0.00 C ATOM 0 H LEU A 72 -0.265 6.118 1.339 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.916 6.762 -1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.624 5.341 1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.831 6.012 0.471 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.781 4.517 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.673 2.488 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.727 3.954 -0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.677 3.176 1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.134 2.588 -0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.236 3.282 1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.986 4.128 -0.363 1.00 0.00 H new ATOM 1129 N PRO A 73 -2.169 9.045 -0.095 1.00 0.00 N ATOM 1130 CA PRO A 73 -2.456 10.396 0.394 1.00 0.00 C ATOM 1131 C PRO A 73 -3.909 10.560 0.827 1.00 0.00 C ATOM 1132 O PRO A 73 -4.266 11.543 1.476 1.00 0.00 O ATOM 1133 CB PRO A 73 -2.155 11.284 -0.816 1.00 0.00 C ATOM 1134 CG PRO A 73 -2.343 10.393 -1.995 1.00 0.00 C ATOM 1135 CD PRO A 73 -1.925 9.020 -1.547 1.00 0.00 C ATOM 0 HA PRO A 73 -1.867 10.642 1.277 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.828 12.141 -0.856 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.140 11.678 -0.775 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.382 10.396 -2.325 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.740 10.729 -2.838 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.509 8.242 -2.039 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.877 8.825 -1.775 1.00 0.00 H new ATOM 1143 N ALA A 74 -4.743 9.591 0.463 1.00 0.00 N ATOM 1144 CA ALA A 74 -6.157 9.627 0.815 1.00 0.00 C ATOM 1145 C ALA A 74 -6.777 8.237 0.737 1.00 0.00 C ATOM 1146 O ALA A 74 -6.969 7.691 -0.349 1.00 0.00 O ATOM 1147 CB ALA A 74 -6.903 10.592 -0.094 1.00 0.00 C ATOM 0 H ALA A 74 -4.463 8.771 -0.076 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.241 9.977 1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.958 10.609 0.180 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.484 11.592 0.015 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.803 10.268 -1.130 1.00 0.00 H new ATOM 1153 N VAL A 75 -7.090 7.668 1.897 1.00 0.00 N ATOM 1154 CA VAL A 75 -7.690 6.340 1.961 1.00 0.00 C ATOM 1155 C VAL A 75 -9.166 6.421 2.331 1.00 0.00 C ATOM 1156 O VAL A 75 -9.684 7.499 2.622 1.00 0.00 O ATOM 1157 CB VAL A 75 -6.964 5.444 2.982 1.00 0.00 C ATOM 1158 CG1 VAL A 75 -5.466 5.708 2.955 1.00 0.00 C ATOM 1159 CG2 VAL A 75 -7.528 5.664 4.378 1.00 0.00 C ATOM 0 H VAL A 75 -6.938 8.106 2.806 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.591 5.900 0.969 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.129 4.402 2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.970 5.066 3.683 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.077 5.496 1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.276 6.752 3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.004 5.023 5.087 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.394 6.707 4.664 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.590 5.419 4.384 1.00 0.00 H new ATOM 1169 N GLN A 76 -9.838 5.274 2.317 1.00 0.00 N ATOM 1170 CA GLN A 76 -11.256 5.216 2.652 1.00 0.00 C ATOM 1171 C GLN A 76 -11.580 3.947 3.432 1.00 0.00 C ATOM 1172 O GLN A 76 -10.984 2.894 3.199 1.00 0.00 O ATOM 1173 CB GLN A 76 -12.104 5.278 1.380 1.00 0.00 C ATOM 1174 CG GLN A 76 -11.766 6.455 0.480 1.00 0.00 C ATOM 1175 CD GLN A 76 -12.176 7.786 1.080 1.00 0.00 C ATOM 1176 OE1 GLN A 76 -12.656 7.847 2.212 1.00 0.00 O ATOM 1177 NE2 GLN A 76 -11.987 8.860 0.323 1.00 0.00 N ATOM 0 H GLN A 76 -9.424 4.373 2.077 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.491 6.075 3.280 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.971 4.353 0.819 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.157 5.334 1.657 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.693 6.463 0.287 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.262 6.326 -0.482 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -11.586 8.762 -0.610 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -12.243 9.783 0.674 1.00 0.00 H new ATOM 1186 N LEU A 77 -12.526 4.053 4.358 1.00 0.00 N ATOM 1187 CA LEU A 77 -12.930 2.912 5.174 1.00 0.00 C ATOM 1188 C LEU A 77 -13.165 1.679 4.307 1.00 0.00 C ATOM 1189 O LEU A 77 -12.801 0.566 4.684 1.00 0.00 O ATOM 1190 CB LEU A 77 -14.198 3.247 5.961 1.00 0.00 C ATOM 1191 CG LEU A 77 -14.140 4.509 6.822 1.00 0.00 C ATOM 1192 CD1 LEU A 77 -15.465 4.729 7.536 1.00 0.00 C ATOM 1193 CD2 LEU A 77 -13.000 4.418 7.826 1.00 0.00 C ATOM 0 H LEU A 77 -13.028 4.917 4.563 1.00 0.00 H new ATOM 0 HA LEU A 77 -12.124 2.692 5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.023 3.350 5.256 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.435 2.401 6.607 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.956 5.363 6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -15.405 5.632 8.144 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.261 4.840 6.800 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.680 3.874 8.177 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.974 5.325 8.430 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.154 3.555 8.474 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.055 4.309 7.294 1.00 0.00 H new ATOM 1205 N GLU A 78 -13.775 1.887 3.144 1.00 0.00 N ATOM 1206 CA GLU A 78 -14.057 0.791 2.224 1.00 0.00 C ATOM 1207 C GLU A 78 -12.765 0.134 1.748 1.00 0.00 C ATOM 1208 O GLU A 78 -12.689 -1.087 1.615 1.00 0.00 O ATOM 1209 CB GLU A 78 -14.857 1.298 1.023 1.00 0.00 C ATOM 1210 CG GLU A 78 -16.308 1.613 1.347 1.00 0.00 C ATOM 1211 CD GLU A 78 -17.180 0.373 1.383 1.00 0.00 C ATOM 1212 OE1 GLU A 78 -16.822 -0.624 0.723 1.00 0.00 O ATOM 1213 OE2 GLU A 78 -18.222 0.401 2.072 1.00 0.00 O ATOM 0 H GLU A 78 -14.083 2.803 2.817 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.648 0.046 2.757 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.378 2.195 0.631 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.825 0.548 0.233 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.360 2.117 2.312 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.700 2.307 0.603 1.00 0.00 H new ATOM 1220 N ASP A 79 -11.751 0.954 1.492 1.00 0.00 N ATOM 1221 CA ASP A 79 -10.461 0.453 1.031 1.00 0.00 C ATOM 1222 C ASP A 79 -9.899 -0.578 2.005 1.00 0.00 C ATOM 1223 O ASP A 79 -9.203 -1.510 1.603 1.00 0.00 O ATOM 1224 CB ASP A 79 -9.472 1.608 0.865 1.00 0.00 C ATOM 1225 CG ASP A 79 -9.891 2.577 -0.223 1.00 0.00 C ATOM 1226 OD1 ASP A 79 -10.642 2.162 -1.130 1.00 0.00 O ATOM 1227 OD2 ASP A 79 -9.468 3.751 -0.168 1.00 0.00 O ATOM 0 H ASP A 79 -11.797 1.968 1.596 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.610 -0.030 0.065 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.382 2.144 1.810 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.486 1.207 0.631 1.00 0.00 H new ATOM 1232 N SER A 80 -10.204 -0.403 3.286 1.00 0.00 N ATOM 1233 CA SER A 80 -9.725 -1.315 4.318 1.00 0.00 C ATOM 1234 C SER A 80 -9.960 -2.767 3.911 1.00 0.00 C ATOM 1235 O SER A 80 -11.092 -3.177 3.658 1.00 0.00 O ATOM 1236 CB SER A 80 -10.424 -1.028 5.648 1.00 0.00 C ATOM 1237 OG SER A 80 -11.764 -1.490 5.630 1.00 0.00 O ATOM 0 H SER A 80 -10.781 0.362 3.635 1.00 0.00 H new ATOM 0 HA SER A 80 -8.653 -1.157 4.438 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.880 -1.511 6.460 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.408 0.044 5.847 1.00 0.00 H new ATOM 0 HG SER A 80 -12.306 -0.900 5.065 1.00 0.00 H new ATOM 1243 N GLY A 81 -8.879 -3.540 3.849 1.00 0.00 N ATOM 1244 CA GLY A 81 -8.987 -4.937 3.472 1.00 0.00 C ATOM 1245 C GLY A 81 -7.648 -5.646 3.484 1.00 0.00 C ATOM 1246 O GLY A 81 -6.927 -5.607 4.481 1.00 0.00 O ATOM 0 H GLY A 81 -7.931 -3.223 4.053 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.669 -5.443 4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.424 -5.009 2.476 1.00 0.00 H new ATOM 1250 N GLU A 82 -7.314 -6.297 2.374 1.00 0.00 N ATOM 1251 CA GLU A 82 -6.053 -7.020 2.263 1.00 0.00 C ATOM 1252 C GLU A 82 -5.269 -6.562 1.036 1.00 0.00 C ATOM 1253 O GLU A 82 -5.840 -6.344 -0.032 1.00 0.00 O ATOM 1254 CB GLU A 82 -6.308 -8.527 2.185 1.00 0.00 C ATOM 1255 CG GLU A 82 -5.181 -9.365 2.765 1.00 0.00 C ATOM 1256 CD GLU A 82 -4.647 -8.804 4.068 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -5.464 -8.361 4.902 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -3.412 -8.808 4.254 1.00 0.00 O ATOM 0 H GLU A 82 -7.899 -6.338 1.539 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.461 -6.804 3.153 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.232 -8.759 2.715 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.459 -8.808 1.143 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.538 -10.382 2.931 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.369 -9.426 2.040 1.00 0.00 H new ATOM 1265 N TYR A 83 -3.959 -6.418 1.199 1.00 0.00 N ATOM 1266 CA TYR A 83 -3.096 -5.983 0.107 1.00 0.00 C ATOM 1267 C TYR A 83 -2.044 -7.041 -0.211 1.00 0.00 C ATOM 1268 O TYR A 83 -1.074 -7.211 0.528 1.00 0.00 O ATOM 1269 CB TYR A 83 -2.414 -4.660 0.463 1.00 0.00 C ATOM 1270 CG TYR A 83 -3.259 -3.443 0.161 1.00 0.00 C ATOM 1271 CD1 TYR A 83 -4.478 -3.244 0.796 1.00 0.00 C ATOM 1272 CD2 TYR A 83 -2.837 -2.492 -0.761 1.00 0.00 C ATOM 1273 CE1 TYR A 83 -5.253 -2.134 0.523 1.00 0.00 C ATOM 1274 CE2 TYR A 83 -3.605 -1.378 -1.039 1.00 0.00 C ATOM 1275 CZ TYR A 83 -4.812 -1.204 -0.396 1.00 0.00 C ATOM 1276 OH TYR A 83 -5.581 -0.096 -0.671 1.00 0.00 O ATOM 0 H TYR A 83 -3.471 -6.596 2.077 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.717 -5.837 -0.777 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.164 -4.664 1.524 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.475 -4.586 -0.086 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.826 -3.970 1.516 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -1.893 -2.626 -1.268 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.199 -1.995 1.026 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.262 -0.647 -1.756 1.00 0.00 H new ATOM 0 HH TYR A 83 -5.127 0.460 -1.339 1.00 0.00 H new ATOM 1286 N LEU A 84 -2.243 -7.749 -1.318 1.00 0.00 N ATOM 1287 CA LEU A 84 -1.312 -8.791 -1.737 1.00 0.00 C ATOM 1288 C LEU A 84 -0.386 -8.284 -2.838 1.00 0.00 C ATOM 1289 O LEU A 84 -0.825 -8.020 -3.958 1.00 0.00 O ATOM 1290 CB LEU A 84 -2.079 -10.021 -2.225 1.00 0.00 C ATOM 1291 CG LEU A 84 -2.345 -11.105 -1.180 1.00 0.00 C ATOM 1292 CD1 LEU A 84 -1.099 -11.948 -0.956 1.00 0.00 C ATOM 1293 CD2 LEU A 84 -2.812 -10.482 0.127 1.00 0.00 C ATOM 0 H LEU A 84 -3.040 -7.620 -1.941 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.704 -9.068 -0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.036 -9.691 -2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.523 -10.468 -3.049 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.136 -11.756 -1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.307 -12.714 -0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.808 -12.424 -1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.287 -11.311 -0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.997 -11.268 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.043 -9.808 0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.732 -9.923 -0.045 1.00 0.00 H new ATOM 1305 N CYS A 85 0.895 -8.151 -2.512 1.00 0.00 N ATOM 1306 CA CYS A 85 1.883 -7.677 -3.475 1.00 0.00 C ATOM 1307 C CYS A 85 2.566 -8.848 -4.174 1.00 0.00 C ATOM 1308 O CYS A 85 3.385 -9.546 -3.577 1.00 0.00 O ATOM 1309 CB CYS A 85 2.927 -6.804 -2.777 1.00 0.00 C ATOM 1310 SG CYS A 85 4.208 -6.161 -3.879 1.00 0.00 S ATOM 0 H CYS A 85 1.274 -8.364 -1.589 1.00 0.00 H new ATOM 0 HA CYS A 85 1.365 -7.081 -4.227 1.00 0.00 H new ATOM 0 HB2 CYS A 85 2.422 -5.966 -2.297 1.00 0.00 H new ATOM 0 HB3 CYS A 85 3.401 -7.386 -1.986 1.00 0.00 H new ATOM 0 HG CYS A 85 4.130 -4.864 -3.925 1.00 0.00 H new ATOM 1316 N GLU A 86 2.222 -9.056 -5.441 1.00 0.00 N ATOM 1317 CA GLU A 86 2.802 -10.144 -6.220 1.00 0.00 C ATOM 1318 C GLU A 86 3.893 -9.626 -7.152 1.00 0.00 C ATOM 1319 O GLU A 86 3.735 -8.584 -7.790 1.00 0.00 O ATOM 1320 CB GLU A 86 1.716 -10.854 -7.032 1.00 0.00 C ATOM 1321 CG GLU A 86 0.421 -11.063 -6.266 1.00 0.00 C ATOM 1322 CD GLU A 86 -0.352 -12.276 -6.747 1.00 0.00 C ATOM 1323 OE1 GLU A 86 -1.051 -12.163 -7.776 1.00 0.00 O ATOM 1324 OE2 GLU A 86 -0.259 -13.336 -6.095 1.00 0.00 O ATOM 0 H GLU A 86 1.546 -8.486 -5.949 1.00 0.00 H new ATOM 0 HA GLU A 86 3.250 -10.855 -5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.507 -10.272 -7.930 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.094 -11.822 -7.360 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.645 -11.177 -5.205 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.204 -10.175 -6.367 1.00 0.00 H new ATOM 1331 N ILE A 87 4.999 -10.359 -7.224 1.00 0.00 N ATOM 1332 CA ILE A 87 6.116 -9.973 -8.078 1.00 0.00 C ATOM 1333 C ILE A 87 6.240 -10.909 -9.276 1.00 0.00 C ATOM 1334 O ILE A 87 6.202 -10.470 -10.425 1.00 0.00 O ATOM 1335 CB ILE A 87 7.445 -9.974 -7.300 1.00 0.00 C ATOM 1336 CG1 ILE A 87 8.610 -10.293 -8.239 1.00 0.00 C ATOM 1337 CG2 ILE A 87 7.389 -10.976 -6.157 1.00 0.00 C ATOM 1338 CD1 ILE A 87 9.913 -9.644 -7.827 1.00 0.00 C ATOM 0 H ILE A 87 5.146 -11.223 -6.702 1.00 0.00 H new ATOM 0 HA ILE A 87 5.911 -8.962 -8.429 1.00 0.00 H new ATOM 0 HB ILE A 87 7.603 -8.981 -6.879 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.748 -11.373 -8.279 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.354 -9.967 -9.247 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.336 -10.965 -5.617 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.580 -10.708 -5.477 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.211 -11.974 -6.557 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.694 -9.914 -8.538 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.792 -8.561 -7.814 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.193 -9.989 -6.832 1.00 0.00 H new ATOM 1350 N ASP A 88 6.386 -12.199 -8.999 1.00 0.00 N ATOM 1351 CA ASP A 88 6.513 -13.198 -10.053 1.00 0.00 C ATOM 1352 C ASP A 88 5.636 -14.412 -9.761 1.00 0.00 C ATOM 1353 O ASP A 88 4.606 -14.615 -10.405 1.00 0.00 O ATOM 1354 CB ASP A 88 7.973 -13.632 -10.201 1.00 0.00 C ATOM 1355 CG ASP A 88 8.320 -14.020 -11.625 1.00 0.00 C ATOM 1356 OD1 ASP A 88 8.088 -15.191 -11.995 1.00 0.00 O ATOM 1357 OD2 ASP A 88 8.822 -13.153 -12.370 1.00 0.00 O ATOM 0 H ASP A 88 6.419 -12.578 -8.053 1.00 0.00 H new ATOM 0 HA ASP A 88 6.179 -12.748 -10.988 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.625 -12.820 -9.880 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.167 -14.477 -9.540 1.00 0.00 H new ATOM 1362 N ASP A 89 6.051 -15.215 -8.788 1.00 0.00 N ATOM 1363 CA ASP A 89 5.303 -16.408 -8.410 1.00 0.00 C ATOM 1364 C ASP A 89 4.874 -16.341 -6.948 1.00 0.00 C ATOM 1365 O ASP A 89 4.058 -17.142 -6.493 1.00 0.00 O ATOM 1366 CB ASP A 89 6.146 -17.662 -8.651 1.00 0.00 C ATOM 1367 CG ASP A 89 5.297 -18.886 -8.929 1.00 0.00 C ATOM 1368 OD1 ASP A 89 4.246 -18.743 -9.589 1.00 0.00 O ATOM 1369 OD2 ASP A 89 5.682 -19.988 -8.486 1.00 0.00 O ATOM 0 H ASP A 89 6.902 -15.061 -8.246 1.00 0.00 H new ATOM 0 HA ASP A 89 4.408 -16.457 -9.030 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.816 -17.489 -9.493 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.772 -17.848 -7.779 1.00 0.00 H new ATOM 1374 N GLU A 90 5.431 -15.381 -6.217 1.00 0.00 N ATOM 1375 CA GLU A 90 5.108 -15.211 -4.805 1.00 0.00 C ATOM 1376 C GLU A 90 4.374 -13.894 -4.570 1.00 0.00 C ATOM 1377 O GLU A 90 4.341 -13.025 -5.441 1.00 0.00 O ATOM 1378 CB GLU A 90 6.381 -15.257 -3.958 1.00 0.00 C ATOM 1379 CG GLU A 90 7.589 -14.637 -4.640 1.00 0.00 C ATOM 1380 CD GLU A 90 8.886 -14.934 -3.913 1.00 0.00 C ATOM 1381 OE1 GLU A 90 9.132 -14.308 -2.861 1.00 0.00 O ATOM 1382 OE2 GLU A 90 9.654 -15.792 -4.396 1.00 0.00 O ATOM 0 H GLU A 90 6.108 -14.709 -6.579 1.00 0.00 H new ATOM 0 HA GLU A 90 4.453 -16.030 -4.507 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.200 -14.738 -3.017 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.606 -16.295 -3.712 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.656 -15.010 -5.662 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.451 -13.558 -4.703 1.00 0.00 H new ATOM 1389 N SER A 91 3.786 -13.754 -3.386 1.00 0.00 N ATOM 1390 CA SER A 91 3.049 -12.545 -3.036 1.00 0.00 C ATOM 1391 C SER A 91 3.236 -12.202 -1.561 1.00 0.00 C ATOM 1392 O SER A 91 3.403 -13.088 -0.723 1.00 0.00 O ATOM 1393 CB SER A 91 1.562 -12.722 -3.346 1.00 0.00 C ATOM 1394 OG SER A 91 1.032 -13.852 -2.674 1.00 0.00 O ATOM 0 H SER A 91 3.806 -14.463 -2.653 1.00 0.00 H new ATOM 0 HA SER A 91 3.442 -11.723 -3.634 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.016 -11.828 -3.046 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.422 -12.836 -4.421 1.00 0.00 H new ATOM 0 HG SER A 91 0.129 -14.037 -3.007 1.00 0.00 H new ATOM 1400 N ALA A 92 3.207 -10.910 -1.252 1.00 0.00 N ATOM 1401 CA ALA A 92 3.371 -10.449 0.120 1.00 0.00 C ATOM 1402 C ALA A 92 2.034 -10.034 0.724 1.00 0.00 C ATOM 1403 O ALA A 92 1.245 -9.335 0.088 1.00 0.00 O ATOM 1404 CB ALA A 92 4.358 -9.291 0.174 1.00 0.00 C ATOM 0 H ALA A 92 3.071 -10.164 -1.934 1.00 0.00 H new ATOM 0 HA ALA A 92 3.765 -11.277 0.710 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.471 -8.957 1.205 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.325 -9.619 -0.209 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.986 -8.467 -0.436 1.00 0.00 H new ATOM 1410 N SER A 93 1.784 -10.471 1.954 1.00 0.00 N ATOM 1411 CA SER A 93 0.539 -10.148 2.642 1.00 0.00 C ATOM 1412 C SER A 93 0.657 -8.822 3.386 1.00 0.00 C ATOM 1413 O SER A 93 1.557 -8.634 4.205 1.00 0.00 O ATOM 1414 CB SER A 93 0.170 -11.264 3.622 1.00 0.00 C ATOM 1415 OG SER A 93 -0.874 -10.856 4.489 1.00 0.00 O ATOM 0 H SER A 93 2.427 -11.050 2.495 1.00 0.00 H new ATOM 0 HA SER A 93 -0.248 -10.055 1.893 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.138 -12.151 3.069 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.046 -11.542 4.208 1.00 0.00 H new ATOM 0 HG SER A 93 -1.499 -11.599 4.621 1.00 0.00 H new ATOM 1421 N PHE A 94 -0.259 -7.904 3.094 1.00 0.00 N ATOM 1422 CA PHE A 94 -0.258 -6.593 3.733 1.00 0.00 C ATOM 1423 C PHE A 94 -1.663 -6.211 4.191 1.00 0.00 C ATOM 1424 O PHE A 94 -2.488 -5.761 3.395 1.00 0.00 O ATOM 1425 CB PHE A 94 0.283 -5.533 2.771 1.00 0.00 C ATOM 1426 CG PHE A 94 1.772 -5.596 2.586 1.00 0.00 C ATOM 1427 CD1 PHE A 94 2.626 -5.084 3.549 1.00 0.00 C ATOM 1428 CD2 PHE A 94 2.318 -6.167 1.447 1.00 0.00 C ATOM 1429 CE1 PHE A 94 3.997 -5.140 3.382 1.00 0.00 C ATOM 1430 CE2 PHE A 94 3.688 -6.227 1.275 1.00 0.00 C ATOM 1431 CZ PHE A 94 4.528 -5.712 2.243 1.00 0.00 C ATOM 0 H PHE A 94 -1.011 -8.044 2.419 1.00 0.00 H new ATOM 0 HA PHE A 94 0.390 -6.643 4.608 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.201 -5.653 1.802 1.00 0.00 H new ATOM 0 HB3 PHE A 94 0.012 -4.545 3.143 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.215 -4.635 4.442 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.666 -6.569 0.686 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.651 -4.737 4.141 1.00 0.00 H new ATOM 0 HE2 PHE A 94 4.102 -6.676 0.384 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.599 -5.757 2.109 1.00 0.00 H new ATOM 1441 N THR A 95 -1.928 -6.394 5.481 1.00 0.00 N ATOM 1442 CA THR A 95 -3.232 -6.071 6.046 1.00 0.00 C ATOM 1443 C THR A 95 -3.347 -4.581 6.348 1.00 0.00 C ATOM 1444 O THR A 95 -2.509 -4.013 7.049 1.00 0.00 O ATOM 1445 CB THR A 95 -3.497 -6.867 7.338 1.00 0.00 C ATOM 1446 OG1 THR A 95 -3.487 -8.271 7.060 1.00 0.00 O ATOM 1447 CG2 THR A 95 -4.834 -6.476 7.950 1.00 0.00 C ATOM 0 H THR A 95 -1.257 -6.764 6.154 1.00 0.00 H new ATOM 0 HA THR A 95 -3.977 -6.346 5.299 1.00 0.00 H new ATOM 0 HB THR A 95 -2.706 -6.633 8.051 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.302 -8.415 6.108 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.999 -7.051 8.861 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.828 -5.412 8.188 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.634 -6.684 7.240 1.00 0.00 H new ATOM 1455 N VAL A 96 -4.390 -3.953 5.815 1.00 0.00 N ATOM 1456 CA VAL A 96 -4.615 -2.528 6.028 1.00 0.00 C ATOM 1457 C VAL A 96 -6.047 -2.259 6.477 1.00 0.00 C ATOM 1458 O VAL A 96 -6.985 -2.344 5.683 1.00 0.00 O ATOM 1459 CB VAL A 96 -4.328 -1.716 4.751 1.00 0.00 C ATOM 1460 CG1 VAL A 96 -4.635 -0.244 4.974 1.00 0.00 C ATOM 1461 CG2 VAL A 96 -2.884 -1.907 4.313 1.00 0.00 C ATOM 0 H VAL A 96 -5.093 -4.408 5.233 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.926 -2.213 6.812 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.977 -2.081 3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.426 0.314 4.061 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.686 -0.127 5.238 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.013 0.139 5.783 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.698 -1.326 3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.216 -1.569 5.105 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.702 -2.962 4.110 1.00 0.00 H new ATOM 1471 N THR A 97 -6.210 -1.934 7.756 1.00 0.00 N ATOM 1472 CA THR A 97 -7.527 -1.653 8.311 1.00 0.00 C ATOM 1473 C THR A 97 -7.682 -0.172 8.639 1.00 0.00 C ATOM 1474 O THR A 97 -6.951 0.370 9.468 1.00 0.00 O ATOM 1475 CB THR A 97 -7.788 -2.479 9.585 1.00 0.00 C ATOM 1476 OG1 THR A 97 -7.709 -3.878 9.287 1.00 0.00 O ATOM 1477 CG2 THR A 97 -9.155 -2.156 10.169 1.00 0.00 C ATOM 0 H THR A 97 -5.445 -1.859 8.427 1.00 0.00 H new ATOM 0 HA THR A 97 -8.256 -1.932 7.550 1.00 0.00 H new ATOM 0 HB THR A 97 -7.026 -2.221 10.321 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.874 -4.396 10.102 1.00 0.00 H new ATOM 0 HG21 THR A 97 -9.317 -2.751 11.068 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.201 -1.097 10.422 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.928 -2.388 9.436 1.00 0.00 H new ATOM 1485 N VAL A 98 -8.638 0.478 7.984 1.00 0.00 N ATOM 1486 CA VAL A 98 -8.890 1.896 8.208 1.00 0.00 C ATOM 1487 C VAL A 98 -10.045 2.103 9.180 1.00 0.00 C ATOM 1488 O VAL A 98 -10.994 1.318 9.211 1.00 0.00 O ATOM 1489 CB VAL A 98 -9.208 2.625 6.888 1.00 0.00 C ATOM 1490 CG1 VAL A 98 -9.478 4.100 7.144 1.00 0.00 C ATOM 1491 CG2 VAL A 98 -8.069 2.447 5.895 1.00 0.00 C ATOM 0 H VAL A 98 -9.251 0.045 7.293 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.979 2.315 8.636 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.108 2.186 6.457 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -9.701 4.598 6.200 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.328 4.203 7.818 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.599 4.558 7.597 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.310 2.968 4.968 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.152 2.859 6.316 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.929 1.386 5.689 1.00 0.00 H new ATOM 1501 N THR A 99 -9.960 3.165 9.975 1.00 0.00 N ATOM 1502 CA THR A 99 -10.998 3.476 10.950 1.00 0.00 C ATOM 1503 C THR A 99 -11.291 4.971 10.984 1.00 0.00 C ATOM 1504 O THR A 99 -10.639 5.756 10.296 1.00 0.00 O ATOM 1505 CB THR A 99 -10.599 3.010 12.363 1.00 0.00 C ATOM 1506 OG1 THR A 99 -9.275 3.460 12.671 1.00 0.00 O ATOM 1507 CG2 THR A 99 -10.663 1.494 12.471 1.00 0.00 C ATOM 0 H THR A 99 -9.182 3.825 9.963 1.00 0.00 H new ATOM 0 HA THR A 99 -11.895 2.940 10.638 1.00 0.00 H new ATOM 0 HB THR A 99 -11.303 3.439 13.076 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.029 3.161 13.571 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.377 1.189 13.477 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.679 1.157 12.264 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.979 1.049 11.749 1.00 0.00 H new ATOM 1515 N GLU A 100 -12.274 5.359 11.790 1.00 0.00 N ATOM 1516 CA GLU A 100 -12.652 6.762 11.913 1.00 0.00 C ATOM 1517 C GLU A 100 -11.681 7.510 12.821 1.00 0.00 C ATOM 1518 O GLU A 100 -11.297 7.032 13.889 1.00 0.00 O ATOM 1519 CB GLU A 100 -14.076 6.884 12.460 1.00 0.00 C ATOM 1520 CG GLU A 100 -15.118 6.183 11.605 1.00 0.00 C ATOM 1521 CD GLU A 100 -16.401 5.903 12.363 1.00 0.00 C ATOM 1522 OE1 GLU A 100 -16.329 5.264 13.434 1.00 0.00 O ATOM 1523 OE2 GLU A 100 -17.477 6.321 11.886 1.00 0.00 O ATOM 0 H GLU A 100 -12.823 4.722 12.367 1.00 0.00 H new ATOM 0 HA GLU A 100 -12.612 7.210 10.920 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -14.106 6.469 13.468 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -14.336 7.939 12.542 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -15.342 6.799 10.734 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -14.707 5.244 11.234 1.00 0.00 H new ATOM 1530 N PRO A 101 -11.272 8.712 12.388 1.00 0.00 N ATOM 1531 CA PRO A 101 -10.341 9.552 13.147 1.00 0.00 C ATOM 1532 C PRO A 101 -10.969 10.114 14.417 1.00 0.00 C ATOM 1533 O PRO A 101 -12.181 10.044 14.622 1.00 0.00 O ATOM 1534 CB PRO A 101 -10.006 10.682 12.170 1.00 0.00 C ATOM 1535 CG PRO A 101 -11.181 10.753 11.257 1.00 0.00 C ATOM 1536 CD PRO A 101 -11.689 9.344 11.125 1.00 0.00 C ATOM 0 HA PRO A 101 -9.470 8.991 13.486 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -9.854 11.626 12.693 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.089 10.471 11.620 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -11.951 11.409 11.663 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.897 11.158 10.286 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.772 9.317 11.000 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.256 8.840 10.261 1.00 0.00 H new ATOM 1544 N PRO A 102 -10.128 10.686 15.292 1.00 0.00 N ATOM 1545 CA PRO A 102 -10.580 11.273 16.557 1.00 0.00 C ATOM 1546 C PRO A 102 -11.388 12.549 16.348 1.00 0.00 C ATOM 1547 O PRO A 102 -11.531 13.029 15.224 1.00 0.00 O ATOM 1548 CB PRO A 102 -9.273 11.580 17.292 1.00 0.00 C ATOM 1549 CG PRO A 102 -8.261 11.745 16.212 1.00 0.00 C ATOM 1550 CD PRO A 102 -8.672 10.805 15.112 1.00 0.00 C ATOM 0 HA PRO A 102 -11.244 10.604 17.103 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.360 12.484 17.894 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.000 10.771 17.970 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.235 12.775 15.856 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.261 11.508 16.575 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.420 11.202 14.129 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.176 9.839 15.203 1.00 0.00 H new ATOM 1558 N VAL A 103 -11.914 13.096 17.440 1.00 0.00 N ATOM 1559 CA VAL A 103 -12.706 14.318 17.377 1.00 0.00 C ATOM 1560 C VAL A 103 -12.379 15.246 18.541 1.00 0.00 C ATOM 1561 O VAL A 103 -12.124 14.792 19.657 1.00 0.00 O ATOM 1562 CB VAL A 103 -14.215 14.011 17.388 1.00 0.00 C ATOM 1563 CG1 VAL A 103 -15.023 15.298 17.333 1.00 0.00 C ATOM 1564 CG2 VAL A 103 -14.580 13.092 16.231 1.00 0.00 C ATOM 0 H VAL A 103 -11.806 12.712 18.379 1.00 0.00 H new ATOM 0 HA VAL A 103 -12.450 14.812 16.440 1.00 0.00 H new ATOM 0 HB VAL A 103 -14.457 13.499 18.319 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.087 15.060 17.342 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -14.782 15.916 18.198 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -14.780 15.841 16.420 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -15.650 12.885 16.254 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -14.324 13.575 15.288 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -14.028 12.157 16.321 1.00 0.00 H new ATOM 1574 N ARG A 104 -12.389 16.548 18.275 1.00 0.00 N ATOM 1575 CA ARG A 104 -12.093 17.540 19.301 1.00 0.00 C ATOM 1576 C ARG A 104 -13.294 18.450 19.540 1.00 0.00 C ATOM 1577 O ARG A 104 -13.676 18.702 20.683 1.00 0.00 O ATOM 1578 CB ARG A 104 -10.879 18.377 18.895 1.00 0.00 C ATOM 1579 CG ARG A 104 -10.403 19.327 19.983 1.00 0.00 C ATOM 1580 CD ARG A 104 -9.195 20.132 19.530 1.00 0.00 C ATOM 1581 NE ARG A 104 -8.759 21.085 20.547 1.00 0.00 N ATOM 1582 CZ ARG A 104 -7.546 21.625 20.577 1.00 0.00 C ATOM 1583 NH1 ARG A 104 -6.653 21.309 19.649 1.00 0.00 N ATOM 1584 NH2 ARG A 104 -7.225 22.485 21.535 1.00 0.00 N ATOM 0 H ARG A 104 -12.599 16.940 17.357 1.00 0.00 H new ATOM 0 HA ARG A 104 -11.869 17.012 20.228 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -10.061 17.709 18.625 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.127 18.954 18.004 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.212 20.005 20.255 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.148 18.759 20.878 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -8.375 19.454 19.294 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.440 20.668 18.613 1.00 0.00 H new ATOM 0 HE ARG A 104 -9.423 21.351 21.275 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -6.897 20.650 18.910 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -5.722 21.725 19.674 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -7.910 22.732 22.249 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -6.293 22.899 21.557 1.00 0.00 H new ATOM 1598 N ILE A 105 -13.885 18.940 18.455 1.00 0.00 N ATOM 1599 CA ILE A 105 -15.042 19.821 18.548 1.00 0.00 C ATOM 1600 C ILE A 105 -16.343 19.031 18.455 1.00 0.00 C ATOM 1601 O ILE A 105 -16.615 18.379 17.446 1.00 0.00 O ATOM 1602 CB ILE A 105 -15.025 20.891 17.441 1.00 0.00 C ATOM 1603 CG1 ILE A 105 -13.731 21.706 17.508 1.00 0.00 C ATOM 1604 CG2 ILE A 105 -16.237 21.802 17.565 1.00 0.00 C ATOM 1605 CD1 ILE A 105 -12.589 21.092 16.729 1.00 0.00 C ATOM 0 H ILE A 105 -13.581 18.742 17.502 1.00 0.00 H new ATOM 0 HA ILE A 105 -14.987 20.313 19.519 1.00 0.00 H new ATOM 0 HB ILE A 105 -15.068 20.391 16.473 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -13.923 22.709 17.126 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -13.432 21.813 18.551 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -16.210 22.553 16.775 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -17.148 21.210 17.472 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -16.223 22.296 18.536 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -11.705 21.723 16.821 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -12.370 20.100 17.125 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -12.868 21.010 15.679 1.00 0.00 H new ATOM 1617 N ILE A 106 -17.144 19.095 19.513 1.00 0.00 N ATOM 1618 CA ILE A 106 -18.418 18.388 19.550 1.00 0.00 C ATOM 1619 C ILE A 106 -19.590 19.361 19.481 1.00 0.00 C ATOM 1620 O ILE A 106 -19.730 20.242 20.330 1.00 0.00 O ATOM 1621 CB ILE A 106 -18.551 17.532 20.824 1.00 0.00 C ATOM 1622 CG1 ILE A 106 -17.411 16.515 20.903 1.00 0.00 C ATOM 1623 CG2 ILE A 106 -19.899 16.828 20.851 1.00 0.00 C ATOM 1624 CD1 ILE A 106 -17.119 16.042 22.310 1.00 0.00 C ATOM 0 H ILE A 106 -16.933 19.629 20.356 1.00 0.00 H new ATOM 0 HA ILE A 106 -18.440 17.734 18.678 1.00 0.00 H new ATOM 0 HB ILE A 106 -18.488 18.188 21.692 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -17.660 15.654 20.283 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -16.509 16.960 20.483 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -19.978 16.227 21.757 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -20.697 17.570 20.837 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -19.989 16.181 19.978 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -16.300 15.323 22.290 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -16.839 16.894 22.929 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -18.008 15.568 22.726 1.00 0.00 H new ATOM 1636 N TYR A 107 -20.429 19.196 18.465 1.00 0.00 N ATOM 1637 CA TYR A 107 -21.589 20.061 18.284 1.00 0.00 C ATOM 1638 C TYR A 107 -22.864 19.370 18.759 1.00 0.00 C ATOM 1639 O TYR A 107 -22.905 18.148 18.898 1.00 0.00 O ATOM 1640 CB TYR A 107 -21.730 20.460 16.814 1.00 0.00 C ATOM 1641 CG TYR A 107 -21.571 19.302 15.854 1.00 0.00 C ATOM 1642 CD1 TYR A 107 -22.473 18.245 15.854 1.00 0.00 C ATOM 1643 CD2 TYR A 107 -20.519 19.265 14.947 1.00 0.00 C ATOM 1644 CE1 TYR A 107 -22.331 17.186 14.979 1.00 0.00 C ATOM 1645 CE2 TYR A 107 -20.370 18.210 14.068 1.00 0.00 C ATOM 1646 CZ TYR A 107 -21.278 17.172 14.089 1.00 0.00 C ATOM 1647 OH TYR A 107 -21.134 16.119 13.215 1.00 0.00 O ATOM 0 H TYR A 107 -20.328 18.472 17.754 1.00 0.00 H new ATOM 0 HA TYR A 107 -21.438 20.958 18.884 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -22.709 20.915 16.662 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -20.985 21.220 16.580 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -23.299 18.252 16.550 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -19.805 20.075 14.929 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -23.041 16.373 14.992 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -19.547 18.198 13.368 1.00 0.00 H new ATOM 0 HH TYR A 107 -20.343 16.264 12.656 1.00 0.00 H new ATOM 1657 N SER A 108 -23.902 20.162 19.005 1.00 0.00 N ATOM 1658 CA SER A 108 -25.178 19.629 19.468 1.00 0.00 C ATOM 1659 C SER A 108 -26.224 19.683 18.359 1.00 0.00 C ATOM 1660 O SER A 108 -26.537 20.752 17.837 1.00 0.00 O ATOM 1661 CB SER A 108 -25.670 20.411 20.687 1.00 0.00 C ATOM 1662 OG SER A 108 -26.678 19.695 21.379 1.00 0.00 O ATOM 0 H SER A 108 -23.885 21.176 18.891 1.00 0.00 H new ATOM 0 HA SER A 108 -25.027 18.587 19.751 1.00 0.00 H new ATOM 0 HB2 SER A 108 -24.834 20.608 21.358 1.00 0.00 H new ATOM 0 HB3 SER A 108 -26.059 21.378 20.370 1.00 0.00 H new ATOM 0 HG SER A 108 -26.975 20.215 22.155 1.00 0.00 H new ATOM 1668 N GLY A 109 -26.761 18.520 18.003 1.00 0.00 N ATOM 1669 CA GLY A 109 -27.766 18.456 16.958 1.00 0.00 C ATOM 1670 C GLY A 109 -28.075 17.033 16.536 1.00 0.00 C ATOM 1671 O GLY A 109 -27.181 16.200 16.387 1.00 0.00 O ATOM 0 H GLY A 109 -26.518 17.621 18.420 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -28.681 18.934 17.308 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -27.422 19.022 16.092 1.00 0.00 H new ATOM 1675 N PRO A 110 -29.368 16.738 16.338 1.00 0.00 N ATOM 1676 CA PRO A 110 -29.822 15.405 15.930 1.00 0.00 C ATOM 1677 C PRO A 110 -29.425 15.072 14.496 1.00 0.00 C ATOM 1678 O PRO A 110 -30.080 15.498 13.545 1.00 0.00 O ATOM 1679 CB PRO A 110 -31.345 15.495 16.056 1.00 0.00 C ATOM 1680 CG PRO A 110 -31.653 16.944 15.900 1.00 0.00 C ATOM 1681 CD PRO A 110 -30.487 17.682 16.497 1.00 0.00 C ATOM 0 HA PRO A 110 -29.376 14.618 16.539 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -31.841 14.900 15.289 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -31.685 15.120 17.021 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -31.783 17.204 14.850 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -32.581 17.203 16.410 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -30.297 18.621 15.977 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -30.660 17.927 17.545 1.00 0.00 H new ATOM 1689 N SER A 111 -28.349 14.306 14.348 1.00 0.00 N ATOM 1690 CA SER A 111 -27.863 13.918 13.029 1.00 0.00 C ATOM 1691 C SER A 111 -28.267 12.483 12.701 1.00 0.00 C ATOM 1692 O SER A 111 -27.820 11.538 13.350 1.00 0.00 O ATOM 1693 CB SER A 111 -26.341 14.059 12.961 1.00 0.00 C ATOM 1694 OG SER A 111 -25.703 13.121 13.810 1.00 0.00 O ATOM 0 H SER A 111 -27.797 13.942 15.125 1.00 0.00 H new ATOM 0 HA SER A 111 -28.316 14.582 12.293 1.00 0.00 H new ATOM 0 HB2 SER A 111 -26.005 13.913 11.935 1.00 0.00 H new ATOM 0 HB3 SER A 111 -26.053 15.070 13.250 1.00 0.00 H new ATOM 0 HG SER A 111 -26.274 12.331 13.912 1.00 0.00 H new ATOM 1700 N SER A 112 -29.115 12.331 11.690 1.00 0.00 N ATOM 1701 CA SER A 112 -29.583 11.013 11.277 1.00 0.00 C ATOM 1702 C SER A 112 -28.410 10.060 11.069 1.00 0.00 C ATOM 1703 O SER A 112 -27.510 10.330 10.275 1.00 0.00 O ATOM 1704 CB SER A 112 -30.403 11.119 9.990 1.00 0.00 C ATOM 1705 OG SER A 112 -31.451 12.064 10.129 1.00 0.00 O ATOM 0 H SER A 112 -29.492 13.104 11.141 1.00 0.00 H new ATOM 0 HA SER A 112 -30.216 10.615 12.070 1.00 0.00 H new ATOM 0 HB2 SER A 112 -29.754 11.410 9.164 1.00 0.00 H new ATOM 0 HB3 SER A 112 -30.820 10.144 9.739 1.00 0.00 H new ATOM 0 HG SER A 112 -31.959 12.114 9.293 1.00 0.00 H new ATOM 1711 N GLY A 113 -28.428 8.942 11.789 1.00 0.00 N ATOM 1712 CA GLY A 113 -27.361 7.966 11.670 1.00 0.00 C ATOM 1713 C GLY A 113 -26.055 8.458 12.261 1.00 0.00 C ATOM 1714 O GLY A 113 -26.042 9.072 13.328 1.00 0.00 O ATOM 0 H GLY A 113 -29.163 8.695 12.452 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -27.658 7.045 12.171 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -27.211 7.723 10.618 1.00 0.00 H new TER 1718 GLY A 113