USER MOD reduce.3.24.130724 H: found=0, std=0, add=908, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 906 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 42 LYS NZ :NH3+ -134:sc= -0.0319 (180deg=-1.2) USER MOD Set 1.2: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc=-0.00989 K(o=-0.0099,f=-0.74) USER MOD Single : A 18 ASN : amide:sc= 0.00223 K(o=0.0022,f=-3!) USER MOD Single : A 20 SER OG : rot 31:sc= 0.597 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -46:sc= 1.11 USER MOD Single : A 37 SER OG : rot -119:sc= -0.68 USER MOD Single : A 39 SER OG : rot 170:sc= 0 USER MOD Single : A 41 TYR OH : rot 150:sc= -0.338 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -142:sc= -0.152 (180deg=-1.98!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.0187 X(o=-0.019,f=-0.33) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.585 K(o=-0.59,f=-1.2) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.408 X(o=-0.41,f=0) USER MOD Single : A 78 ASN : amide:sc= -1.26 X(o=-1.3,f=-1.6) USER MOD Single : A 79 THR OG1 : rot -49:sc= 0.207 USER MOD Single : A 81 GLN : amide:sc= -0.633 X(o=-0.63,f=-0.57) USER MOD Single : A 83 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.21) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 95 CYS SG : rot -108:sc= -0.705 USER MOD Single : A 97 SER OG : rot -179:sc= 0.0404 USER MOD Single : A 98 GLN : amide:sc= -0.384 X(o=-0.38,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 77:sc= 0.533 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.343 24.545 2.065 1.00 0.00 N ATOM 2 CA GLY A 1 17.463 23.933 3.375 1.00 0.00 C ATOM 3 C GLY A 1 18.230 22.626 3.336 1.00 0.00 C ATOM 4 O GLY A 1 17.854 21.699 2.618 1.00 0.00 O ATOM 0 H1 GLY A 1 16.811 25.435 2.145 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.291 24.741 1.685 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.841 23.898 1.424 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.965 24.625 4.051 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.468 23.755 3.782 1.00 0.00 H new ATOM 8 N SER A 2 19.310 22.552 4.108 1.00 0.00 N ATOM 9 CA SER A 2 20.135 21.350 4.154 1.00 0.00 C ATOM 10 C SER A 2 19.271 20.095 4.088 1.00 0.00 C ATOM 11 O SER A 2 19.529 19.191 3.293 1.00 0.00 O ATOM 12 CB SER A 2 20.980 21.336 5.430 1.00 0.00 C ATOM 13 OG SER A 2 22.150 22.120 5.275 1.00 0.00 O ATOM 0 H SER A 2 19.634 23.309 4.710 1.00 0.00 H new ATOM 0 HA SER A 2 20.797 21.359 3.288 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.391 21.717 6.264 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.255 20.311 5.676 1.00 0.00 H new ATOM 0 HG SER A 2 22.672 22.096 6.104 1.00 0.00 H new ATOM 19 N SER A 3 18.244 20.046 4.931 1.00 0.00 N ATOM 20 CA SER A 3 17.343 18.900 4.972 1.00 0.00 C ATOM 21 C SER A 3 16.121 19.138 4.091 1.00 0.00 C ATOM 22 O SER A 3 15.850 20.264 3.677 1.00 0.00 O ATOM 23 CB SER A 3 16.903 18.622 6.411 1.00 0.00 C ATOM 24 OG SER A 3 17.886 17.880 7.111 1.00 0.00 O ATOM 0 H SER A 3 18.015 20.786 5.594 1.00 0.00 H new ATOM 0 HA SER A 3 17.881 18.032 4.590 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.719 19.564 6.927 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.962 18.072 6.407 1.00 0.00 H new ATOM 0 HG SER A 3 17.581 17.717 8.028 1.00 0.00 H new ATOM 30 N GLY A 4 15.385 18.067 3.808 1.00 0.00 N ATOM 31 CA GLY A 4 14.200 18.179 2.978 1.00 0.00 C ATOM 32 C GLY A 4 14.133 17.101 1.915 1.00 0.00 C ATOM 33 O GLY A 4 13.090 16.479 1.716 1.00 0.00 O ATOM 0 H GLY A 4 15.589 17.124 4.139 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.312 18.120 3.608 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.187 19.158 2.499 1.00 0.00 H new ATOM 37 N SER A 5 15.249 16.880 1.227 1.00 0.00 N ATOM 38 CA SER A 5 15.312 15.873 0.174 1.00 0.00 C ATOM 39 C SER A 5 14.931 14.498 0.714 1.00 0.00 C ATOM 40 O SER A 5 14.169 13.761 0.088 1.00 0.00 O ATOM 41 CB SER A 5 16.715 15.825 -0.432 1.00 0.00 C ATOM 42 OG SER A 5 17.011 17.023 -1.130 1.00 0.00 O ATOM 0 H SER A 5 16.122 17.385 1.380 1.00 0.00 H new ATOM 0 HA SER A 5 14.599 16.150 -0.602 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.450 15.669 0.357 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.792 14.976 -1.111 1.00 0.00 H new ATOM 0 HG SER A 5 17.914 16.968 -1.506 1.00 0.00 H new ATOM 48 N SER A 6 15.468 14.158 1.882 1.00 0.00 N ATOM 49 CA SER A 6 15.189 12.870 2.506 1.00 0.00 C ATOM 50 C SER A 6 14.168 13.021 3.629 1.00 0.00 C ATOM 51 O SER A 6 14.518 13.002 4.808 1.00 0.00 O ATOM 52 CB SER A 6 16.478 12.254 3.052 1.00 0.00 C ATOM 53 OG SER A 6 17.111 11.445 2.076 1.00 0.00 O ATOM 0 H SER A 6 16.099 14.757 2.415 1.00 0.00 H new ATOM 0 HA SER A 6 14.773 12.208 1.746 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.157 13.046 3.369 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.253 11.655 3.935 1.00 0.00 H new ATOM 0 HG SER A 6 17.933 11.065 2.450 1.00 0.00 H new ATOM 59 N GLY A 7 12.901 13.170 3.253 1.00 0.00 N ATOM 60 CA GLY A 7 11.848 13.322 4.240 1.00 0.00 C ATOM 61 C GLY A 7 10.693 12.367 4.007 1.00 0.00 C ATOM 62 O GLY A 7 10.640 11.684 2.984 1.00 0.00 O ATOM 0 H GLY A 7 12.586 13.188 2.283 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.260 13.154 5.235 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.478 14.347 4.217 1.00 0.00 H new ATOM 66 N VAL A 8 9.767 12.319 4.958 1.00 0.00 N ATOM 67 CA VAL A 8 8.608 11.440 4.853 1.00 0.00 C ATOM 68 C VAL A 8 7.366 12.217 4.428 1.00 0.00 C ATOM 69 O VAL A 8 7.068 13.278 4.977 1.00 0.00 O ATOM 70 CB VAL A 8 8.322 10.725 6.187 1.00 0.00 C ATOM 71 CG1 VAL A 8 7.413 9.526 5.966 1.00 0.00 C ATOM 72 CG2 VAL A 8 9.622 10.304 6.854 1.00 0.00 C ATOM 0 H VAL A 8 9.796 12.878 5.810 1.00 0.00 H new ATOM 0 HA VAL A 8 8.844 10.694 4.094 1.00 0.00 H new ATOM 0 HB VAL A 8 7.809 11.421 6.850 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.222 9.034 6.919 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.469 9.860 5.534 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.895 8.824 5.285 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.402 9.800 7.795 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.164 9.624 6.197 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.233 11.185 7.049 1.00 0.00 H new ATOM 82 N ILE A 9 6.646 11.681 3.449 1.00 0.00 N ATOM 83 CA ILE A 9 5.435 12.323 2.952 1.00 0.00 C ATOM 84 C ILE A 9 4.222 11.931 3.789 1.00 0.00 C ATOM 85 O ILE A 9 3.298 12.724 3.971 1.00 0.00 O ATOM 86 CB ILE A 9 5.168 11.959 1.480 1.00 0.00 C ATOM 87 CG1 ILE A 9 6.333 12.417 0.600 1.00 0.00 C ATOM 88 CG2 ILE A 9 3.864 12.583 1.008 1.00 0.00 C ATOM 89 CD1 ILE A 9 6.330 11.794 -0.779 1.00 0.00 C ATOM 0 H ILE A 9 6.880 10.804 2.984 1.00 0.00 H new ATOM 0 HA ILE A 9 5.594 13.399 3.028 1.00 0.00 H new ATOM 0 HB ILE A 9 5.080 10.876 1.399 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.298 13.502 0.500 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.272 12.173 1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.689 12.316 -0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.041 12.213 1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.925 13.667 1.100 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.183 12.164 -1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.397 10.710 -0.689 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.408 12.059 -1.296 1.00 0.00 H new ATOM 101 N ARG A 10 4.233 10.703 4.298 1.00 0.00 N ATOM 102 CA ARG A 10 3.134 10.206 5.116 1.00 0.00 C ATOM 103 C ARG A 10 3.502 8.878 5.773 1.00 0.00 C ATOM 104 O ARG A 10 4.403 8.176 5.313 1.00 0.00 O ATOM 105 CB ARG A 10 1.873 10.035 4.266 1.00 0.00 C ATOM 106 CG ARG A 10 0.672 9.534 5.052 1.00 0.00 C ATOM 107 CD ARG A 10 -0.633 10.021 4.444 1.00 0.00 C ATOM 108 NE ARG A 10 -1.766 9.188 4.839 1.00 0.00 N ATOM 109 CZ ARG A 10 -2.367 9.277 6.020 1.00 0.00 C ATOM 110 NH1 ARG A 10 -1.946 10.158 6.917 1.00 0.00 N ATOM 111 NH2 ARG A 10 -3.391 8.484 6.306 1.00 0.00 N ATOM 0 H ARG A 10 4.991 10.035 4.158 1.00 0.00 H new ATOM 0 HA ARG A 10 2.939 10.938 5.900 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.623 10.991 3.806 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.083 9.337 3.456 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.680 8.444 5.075 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.743 9.875 6.085 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.815 11.050 4.753 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.547 10.025 3.357 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.115 8.500 4.171 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.159 10.769 6.701 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.409 10.224 7.823 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.718 7.805 5.619 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.852 8.553 7.213 1.00 0.00 H new ATOM 125 N ARG A 11 2.799 8.541 6.849 1.00 0.00 N ATOM 126 CA ARG A 11 3.053 7.299 7.569 1.00 0.00 C ATOM 127 C ARG A 11 1.935 7.010 8.566 1.00 0.00 C ATOM 128 O ARG A 11 1.560 7.871 9.361 1.00 0.00 O ATOM 129 CB ARG A 11 4.395 7.374 8.300 1.00 0.00 C ATOM 130 CG ARG A 11 4.761 8.775 8.761 1.00 0.00 C ATOM 131 CD ARG A 11 6.006 8.767 9.634 1.00 0.00 C ATOM 132 NE ARG A 11 6.542 10.111 9.834 1.00 0.00 N ATOM 133 CZ ARG A 11 7.722 10.355 10.394 1.00 0.00 C ATOM 134 NH1 ARG A 11 8.485 9.352 10.805 1.00 0.00 N ATOM 135 NH2 ARG A 11 8.141 11.606 10.542 1.00 0.00 N ATOM 0 H ARG A 11 2.049 9.110 7.241 1.00 0.00 H new ATOM 0 HA ARG A 11 3.087 6.488 6.842 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.365 6.712 9.166 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.179 7.001 7.641 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.928 9.413 7.893 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.928 9.205 9.317 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.768 8.324 10.601 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.768 8.138 9.174 1.00 0.00 H new ATOM 0 HE ARG A 11 5.980 10.905 9.527 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.167 8.390 10.692 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.390 9.543 11.234 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.557 12.380 10.226 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.047 11.793 10.972 1.00 0.00 H new ATOM 149 N GLY A 12 1.405 5.792 8.517 1.00 0.00 N ATOM 150 CA GLY A 12 0.334 5.412 9.420 1.00 0.00 C ATOM 151 C GLY A 12 0.148 3.909 9.497 1.00 0.00 C ATOM 152 O GLY A 12 0.878 3.153 8.857 1.00 0.00 O ATOM 0 H GLY A 12 1.698 5.061 7.868 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.547 5.800 10.416 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.597 5.874 9.090 1.00 0.00 H new ATOM 156 N TRP A 13 -0.830 3.476 10.285 1.00 0.00 N ATOM 157 CA TRP A 13 -1.108 2.054 10.446 1.00 0.00 C ATOM 158 C TRP A 13 -2.194 1.599 9.476 1.00 0.00 C ATOM 159 O TRP A 13 -3.332 2.067 9.539 1.00 0.00 O ATOM 160 CB TRP A 13 -1.534 1.755 11.884 1.00 0.00 C ATOM 161 CG TRP A 13 -0.403 1.827 12.865 1.00 0.00 C ATOM 162 CD1 TRP A 13 0.067 2.945 13.494 1.00 0.00 C ATOM 163 CD2 TRP A 13 0.400 0.736 13.327 1.00 0.00 C ATOM 164 NE1 TRP A 13 1.114 2.614 14.320 1.00 0.00 N ATOM 165 CE2 TRP A 13 1.338 1.265 14.236 1.00 0.00 C ATOM 166 CE3 TRP A 13 0.418 -0.636 13.064 1.00 0.00 C ATOM 167 CZ2 TRP A 13 2.282 0.469 14.879 1.00 0.00 C ATOM 168 CZ3 TRP A 13 1.356 -1.425 13.703 1.00 0.00 C ATOM 169 CH2 TRP A 13 2.276 -0.871 14.603 1.00 0.00 C ATOM 0 H TRP A 13 -1.443 4.089 10.822 1.00 0.00 H new ATOM 0 HA TRP A 13 -0.194 1.503 10.224 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.308 2.462 12.181 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.978 0.760 11.925 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -0.326 3.942 13.362 1.00 0.00 H new ATOM 0 HE1 TRP A 13 1.639 3.267 14.902 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -0.289 -1.072 12.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 2.994 0.894 15.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.380 -2.486 13.505 1.00 0.00 H new ATOM 0 HH2 TRP A 13 2.995 -1.515 15.088 1.00 0.00 H new ATOM 180 N LEU A 14 -1.837 0.684 8.582 1.00 0.00 N ATOM 181 CA LEU A 14 -2.782 0.166 7.599 1.00 0.00 C ATOM 182 C LEU A 14 -3.042 -1.320 7.825 1.00 0.00 C ATOM 183 O LEU A 14 -2.522 -1.917 8.768 1.00 0.00 O ATOM 184 CB LEU A 14 -2.250 0.392 6.182 1.00 0.00 C ATOM 185 CG LEU A 14 -2.399 1.810 5.628 1.00 0.00 C ATOM 186 CD1 LEU A 14 -1.648 1.950 4.313 1.00 0.00 C ATOM 187 CD2 LEU A 14 -3.869 2.159 5.445 1.00 0.00 C ATOM 0 H LEU A 14 -0.900 0.285 8.517 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.723 0.704 7.717 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.193 0.126 6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.762 -0.295 5.509 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.967 2.508 6.346 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.765 2.965 3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.590 1.743 4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.050 1.243 3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.956 3.171 5.050 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.326 1.457 4.747 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.380 2.099 6.406 1.00 0.00 H new ATOM 199 N THR A 15 -3.850 -1.914 6.951 1.00 0.00 N ATOM 200 CA THR A 15 -4.179 -3.330 7.055 1.00 0.00 C ATOM 201 C THR A 15 -4.192 -3.993 5.682 1.00 0.00 C ATOM 202 O THR A 15 -5.069 -3.723 4.861 1.00 0.00 O ATOM 203 CB THR A 15 -5.549 -3.541 7.727 1.00 0.00 C ATOM 204 OG1 THR A 15 -5.568 -2.904 9.010 1.00 0.00 O ATOM 205 CG2 THR A 15 -5.850 -5.023 7.887 1.00 0.00 C ATOM 0 H THR A 15 -4.288 -1.436 6.164 1.00 0.00 H new ATOM 0 HA THR A 15 -3.406 -3.790 7.671 1.00 0.00 H new ATOM 0 HB THR A 15 -6.314 -3.098 7.090 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.443 -3.041 9.430 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.822 -5.147 8.364 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.863 -5.500 6.907 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.081 -5.486 8.505 1.00 0.00 H new ATOM 213 N ILE A 16 -3.216 -4.861 5.440 1.00 0.00 N ATOM 214 CA ILE A 16 -3.118 -5.564 4.167 1.00 0.00 C ATOM 215 C ILE A 16 -4.190 -6.642 4.050 1.00 0.00 C ATOM 216 O ILE A 16 -3.984 -7.784 4.460 1.00 0.00 O ATOM 217 CB ILE A 16 -1.732 -6.212 3.987 1.00 0.00 C ATOM 218 CG1 ILE A 16 -0.635 -5.148 4.058 1.00 0.00 C ATOM 219 CG2 ILE A 16 -1.666 -6.962 2.665 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.764 -5.718 3.980 1.00 0.00 C ATOM 0 H ILE A 16 -2.482 -5.094 6.109 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.267 -4.821 3.384 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.573 -6.926 4.795 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.775 -4.438 3.243 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.740 -4.590 4.989 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.681 -7.414 2.552 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.427 -7.742 2.651 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.843 -6.268 1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.491 -4.908 4.036 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.923 -6.406 4.810 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.888 -6.251 3.037 1.00 0.00 H new ATOM 232 N ASN A 17 -5.335 -6.272 3.486 1.00 0.00 N ATOM 233 CA ASN A 17 -6.440 -7.208 3.313 1.00 0.00 C ATOM 234 C ASN A 17 -5.986 -8.451 2.554 1.00 0.00 C ATOM 235 O ASN A 17 -6.182 -9.576 3.012 1.00 0.00 O ATOM 236 CB ASN A 17 -7.594 -6.534 2.568 1.00 0.00 C ATOM 237 CG ASN A 17 -8.567 -5.847 3.507 1.00 0.00 C ATOM 238 OD1 ASN A 17 -8.226 -5.530 4.647 1.00 0.00 O ATOM 239 ND2 ASN A 17 -9.784 -5.614 3.031 1.00 0.00 N ATOM 0 H ASN A 17 -5.522 -5.331 3.141 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.784 -7.513 4.301 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.192 -5.802 1.867 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.127 -7.280 1.979 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.481 -5.154 3.617 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.022 -5.894 2.080 1.00 0.00 H new ATOM 246 N ASN A 18 -5.378 -8.239 1.391 1.00 0.00 N ATOM 247 CA ASN A 18 -4.896 -9.342 0.568 1.00 0.00 C ATOM 248 C ASN A 18 -4.380 -10.484 1.438 1.00 0.00 C ATOM 249 O ASN A 18 -4.948 -11.577 1.447 1.00 0.00 O ATOM 250 CB ASN A 18 -3.788 -8.859 -0.370 1.00 0.00 C ATOM 251 CG ASN A 18 -3.521 -9.835 -1.500 1.00 0.00 C ATOM 252 OD1 ASN A 18 -3.507 -11.049 -1.296 1.00 0.00 O ATOM 253 ND2 ASN A 18 -3.308 -9.306 -2.699 1.00 0.00 N ATOM 0 H ASN A 18 -5.208 -7.313 0.998 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.731 -9.711 -0.027 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.065 -7.891 -0.787 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.872 -8.709 0.201 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.123 -9.912 -3.498 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.329 -8.294 -2.821 1.00 0.00 H new ATOM 260 N ILE A 19 -3.301 -10.224 2.168 1.00 0.00 N ATOM 261 CA ILE A 19 -2.710 -11.229 3.043 1.00 0.00 C ATOM 262 C ILE A 19 -3.752 -11.818 3.987 1.00 0.00 C ATOM 263 O ILE A 19 -4.707 -11.143 4.373 1.00 0.00 O ATOM 264 CB ILE A 19 -1.554 -10.642 3.874 1.00 0.00 C ATOM 265 CG1 ILE A 19 -0.365 -10.307 2.970 1.00 0.00 C ATOM 266 CG2 ILE A 19 -1.138 -11.618 4.965 1.00 0.00 C ATOM 267 CD1 ILE A 19 0.682 -9.447 3.643 1.00 0.00 C ATOM 0 H ILE A 19 -2.818 -9.326 2.171 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.320 -12.017 2.399 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.897 -9.722 4.347 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.099 -11.235 2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.729 -9.793 2.080 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.320 -11.189 5.544 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.986 -11.812 5.622 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.810 -12.553 4.511 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.495 -9.249 2.944 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.233 -8.504 3.954 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.074 -9.968 4.517 1.00 0.00 H new ATOM 279 N SER A 20 -3.562 -13.080 4.357 1.00 0.00 N ATOM 280 CA SER A 20 -4.487 -13.762 5.255 1.00 0.00 C ATOM 281 C SER A 20 -3.804 -14.937 5.949 1.00 0.00 C ATOM 282 O SER A 20 -3.405 -15.907 5.304 1.00 0.00 O ATOM 283 CB SER A 20 -5.712 -14.254 4.482 1.00 0.00 C ATOM 284 OG SER A 20 -6.693 -13.236 4.380 1.00 0.00 O ATOM 0 H SER A 20 -2.775 -13.652 4.049 1.00 0.00 H new ATOM 0 HA SER A 20 -4.808 -13.050 6.015 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.412 -14.575 3.485 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.137 -15.124 4.983 1.00 0.00 H new ATOM 0 HG SER A 20 -6.254 -12.360 4.359 1.00 0.00 H new ATOM 290 N LEU A 21 -3.673 -14.842 7.267 1.00 0.00 N ATOM 291 CA LEU A 21 -3.039 -15.896 8.051 1.00 0.00 C ATOM 292 C LEU A 21 -4.084 -16.818 8.670 1.00 0.00 C ATOM 293 O LEU A 21 -3.972 -17.207 9.832 1.00 0.00 O ATOM 294 CB LEU A 21 -2.165 -15.286 9.149 1.00 0.00 C ATOM 295 CG LEU A 21 -0.892 -14.581 8.680 1.00 0.00 C ATOM 296 CD1 LEU A 21 -1.223 -13.221 8.086 1.00 0.00 C ATOM 297 CD2 LEU A 21 0.093 -14.437 9.831 1.00 0.00 C ATOM 0 H LEU A 21 -3.997 -14.046 7.816 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.412 -16.486 7.382 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.767 -14.571 9.709 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.883 -16.078 9.843 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.427 -15.190 7.905 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.305 -12.734 7.758 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.891 -13.349 7.234 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.711 -12.604 8.840 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.993 -13.933 9.479 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.363 -13.850 10.629 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.355 -15.424 10.211 1.00 0.00 H new ATOM 309 N MET A 22 -5.098 -17.165 7.885 1.00 0.00 N ATOM 310 CA MET A 22 -6.162 -18.045 8.356 1.00 0.00 C ATOM 311 C MET A 22 -6.764 -17.522 9.656 1.00 0.00 C ATOM 312 O MET A 22 -6.978 -18.280 10.602 1.00 0.00 O ATOM 313 CB MET A 22 -5.626 -19.463 8.562 1.00 0.00 C ATOM 314 CG MET A 22 -6.709 -20.530 8.550 1.00 0.00 C ATOM 315 SD MET A 22 -6.058 -22.176 8.208 1.00 0.00 S ATOM 316 CE MET A 22 -6.255 -22.957 9.807 1.00 0.00 C ATOM 0 H MET A 22 -5.206 -16.851 6.921 1.00 0.00 H new ATOM 0 HA MET A 22 -6.944 -18.067 7.597 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.900 -19.685 7.780 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.094 -19.507 9.513 1.00 0.00 H new ATOM 0 HG2 MET A 22 -7.217 -20.538 9.514 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.456 -20.276 7.798 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.895 -23.985 9.757 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.681 -22.408 10.553 1.00 0.00 H new ATOM 0 HE3 MET A 22 -7.309 -22.955 10.086 1.00 0.00 H new ATOM 326 N LYS A 23 -7.037 -16.222 9.696 1.00 0.00 N ATOM 327 CA LYS A 23 -7.615 -15.598 10.880 1.00 0.00 C ATOM 328 C LYS A 23 -6.736 -15.831 12.104 1.00 0.00 C ATOM 329 O LYS A 23 -7.234 -16.089 13.198 1.00 0.00 O ATOM 330 CB LYS A 23 -9.021 -16.147 11.136 1.00 0.00 C ATOM 331 CG LYS A 23 -10.050 -15.682 10.121 1.00 0.00 C ATOM 332 CD LYS A 23 -10.109 -16.611 8.920 1.00 0.00 C ATOM 333 CE LYS A 23 -10.723 -15.922 7.711 1.00 0.00 C ATOM 334 NZ LYS A 23 -10.376 -16.618 6.441 1.00 0.00 N ATOM 0 H LYS A 23 -6.867 -15.580 8.922 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.677 -14.525 10.700 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.983 -17.236 11.129 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.344 -15.845 12.132 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.031 -15.633 10.593 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.805 -14.673 9.790 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.104 -16.953 8.674 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.694 -17.496 9.172 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.807 -15.889 7.823 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.376 -14.890 7.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.813 -16.118 5.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.343 -16.627 6.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.729 -17.596 6.473 1.00 0.00 H new ATOM 348 N GLY A 24 -5.423 -15.738 11.910 1.00 0.00 N ATOM 349 CA GLY A 24 -4.496 -15.941 13.008 1.00 0.00 C ATOM 350 C GLY A 24 -3.872 -14.645 13.487 1.00 0.00 C ATOM 351 O GLY A 24 -4.235 -14.127 14.542 1.00 0.00 O ATOM 0 H GLY A 24 -4.986 -15.526 11.013 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.019 -16.417 13.837 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.708 -16.625 12.693 1.00 0.00 H new ATOM 355 N GLY A 25 -2.929 -14.121 12.710 1.00 0.00 N ATOM 356 CA GLY A 25 -2.268 -12.883 13.079 1.00 0.00 C ATOM 357 C GLY A 25 -2.778 -11.695 12.288 1.00 0.00 C ATOM 358 O GLY A 25 -2.779 -11.714 11.057 1.00 0.00 O ATOM 0 H GLY A 25 -2.611 -14.532 11.832 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.417 -12.698 14.143 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.195 -12.987 12.921 1.00 0.00 H new ATOM 362 N SER A 26 -3.214 -10.658 12.996 1.00 0.00 N ATOM 363 CA SER A 26 -3.735 -9.457 12.351 1.00 0.00 C ATOM 364 C SER A 26 -2.852 -9.044 11.178 1.00 0.00 C ATOM 365 O SER A 26 -1.626 -9.018 11.287 1.00 0.00 O ATOM 366 CB SER A 26 -3.830 -8.312 13.361 1.00 0.00 C ATOM 367 OG SER A 26 -4.732 -7.313 12.915 1.00 0.00 O ATOM 0 H SER A 26 -3.217 -10.625 14.015 1.00 0.00 H new ATOM 0 HA SER A 26 -4.732 -9.681 11.971 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.159 -8.700 14.325 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.843 -7.874 13.513 1.00 0.00 H new ATOM 0 HG SER A 26 -4.777 -6.593 13.578 1.00 0.00 H new ATOM 373 N LYS A 27 -3.484 -8.722 10.055 1.00 0.00 N ATOM 374 CA LYS A 27 -2.758 -8.308 8.859 1.00 0.00 C ATOM 375 C LYS A 27 -2.514 -6.803 8.865 1.00 0.00 C ATOM 376 O LYS A 27 -2.788 -6.117 7.881 1.00 0.00 O ATOM 377 CB LYS A 27 -3.537 -8.704 7.603 1.00 0.00 C ATOM 378 CG LYS A 27 -3.961 -10.163 7.585 1.00 0.00 C ATOM 379 CD LYS A 27 -5.177 -10.401 8.464 1.00 0.00 C ATOM 380 CE LYS A 27 -5.979 -11.604 7.992 1.00 0.00 C ATOM 381 NZ LYS A 27 -7.249 -11.758 8.755 1.00 0.00 N ATOM 0 H LYS A 27 -4.498 -8.740 9.947 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.793 -8.815 8.856 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.424 -8.076 7.522 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.922 -8.502 6.726 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.186 -10.465 6.562 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.136 -10.787 7.928 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.858 -10.557 9.494 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.811 -9.514 8.458 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.204 -11.497 6.931 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.378 -12.507 8.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.767 -12.589 8.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.034 -11.886 9.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.834 -10.907 8.630 1.00 0.00 H new ATOM 395 N GLU A 28 -1.995 -6.296 9.979 1.00 0.00 N ATOM 396 CA GLU A 28 -1.713 -4.871 10.111 1.00 0.00 C ATOM 397 C GLU A 28 -0.214 -4.602 10.017 1.00 0.00 C ATOM 398 O GLU A 28 0.604 -5.473 10.315 1.00 0.00 O ATOM 399 CB GLU A 28 -2.255 -4.342 11.440 1.00 0.00 C ATOM 400 CG GLU A 28 -1.610 -3.041 11.886 1.00 0.00 C ATOM 401 CD GLU A 28 -2.183 -2.522 13.191 1.00 0.00 C ATOM 402 OE1 GLU A 28 -3.308 -1.982 13.173 1.00 0.00 O ATOM 403 OE2 GLU A 28 -1.505 -2.658 14.231 1.00 0.00 O ATOM 0 H GLU A 28 -1.761 -6.850 10.803 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.210 -4.351 9.292 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.331 -4.192 11.350 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.102 -5.097 12.211 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.537 -3.193 12.000 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.745 -2.288 11.109 1.00 0.00 H new ATOM 410 N TYR A 29 0.139 -3.391 9.602 1.00 0.00 N ATOM 411 CA TYR A 29 1.539 -3.007 9.465 1.00 0.00 C ATOM 412 C TYR A 29 1.699 -1.492 9.547 1.00 0.00 C ATOM 413 O TYR A 29 0.728 -0.765 9.759 1.00 0.00 O ATOM 414 CB TYR A 29 2.103 -3.519 8.139 1.00 0.00 C ATOM 415 CG TYR A 29 2.410 -5.000 8.144 1.00 0.00 C ATOM 416 CD1 TYR A 29 1.412 -5.937 7.906 1.00 0.00 C ATOM 417 CD2 TYR A 29 3.697 -5.462 8.386 1.00 0.00 C ATOM 418 CE1 TYR A 29 1.687 -7.291 7.909 1.00 0.00 C ATOM 419 CE2 TYR A 29 3.982 -6.814 8.390 1.00 0.00 C ATOM 420 CZ TYR A 29 2.974 -7.724 8.152 1.00 0.00 C ATOM 421 OH TYR A 29 3.253 -9.072 8.156 1.00 0.00 O ATOM 0 H TYR A 29 -0.525 -2.658 9.354 1.00 0.00 H new ATOM 0 HA TYR A 29 2.095 -3.458 10.287 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.388 -3.307 7.344 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.014 -2.968 7.904 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.403 -5.601 7.715 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.489 -4.752 8.574 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.899 -8.006 7.722 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.989 -7.156 8.579 1.00 0.00 H new ATOM 0 HH TYR A 29 4.206 -9.208 8.342 1.00 0.00 H new ATOM 431 N TRP A 30 2.930 -1.024 9.378 1.00 0.00 N ATOM 432 CA TRP A 30 3.218 0.405 9.432 1.00 0.00 C ATOM 433 C TRP A 30 3.826 0.887 8.119 1.00 0.00 C ATOM 434 O TRP A 30 5.042 0.837 7.931 1.00 0.00 O ATOM 435 CB TRP A 30 4.169 0.710 10.591 1.00 0.00 C ATOM 436 CG TRP A 30 4.649 2.130 10.606 1.00 0.00 C ATOM 437 CD1 TRP A 30 5.859 2.590 10.169 1.00 0.00 C ATOM 438 CD2 TRP A 30 3.931 3.273 11.084 1.00 0.00 C ATOM 439 NE1 TRP A 30 5.936 3.951 10.347 1.00 0.00 N ATOM 440 CE2 TRP A 30 4.766 4.393 10.905 1.00 0.00 C ATOM 441 CE3 TRP A 30 2.664 3.459 11.643 1.00 0.00 C ATOM 442 CZ2 TRP A 30 4.373 5.679 11.268 1.00 0.00 C ATOM 443 CZ3 TRP A 30 2.276 4.735 12.002 1.00 0.00 C ATOM 444 CH2 TRP A 30 3.127 5.832 11.813 1.00 0.00 C ATOM 0 H TRP A 30 3.745 -1.612 9.203 1.00 0.00 H new ATOM 0 HA TRP A 30 2.279 0.935 9.592 1.00 0.00 H new ATOM 0 HB2 TRP A 30 3.664 0.495 11.533 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.029 0.044 10.531 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.640 1.975 9.746 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.735 4.537 10.103 1.00 0.00 H new ATOM 0 HE3 TRP A 30 2.000 2.620 11.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 5.028 6.525 11.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.299 4.890 12.436 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.793 6.817 12.103 1.00 0.00 H new ATOM 455 N PHE A 31 2.973 1.355 7.214 1.00 0.00 N ATOM 456 CA PHE A 31 3.427 1.846 5.918 1.00 0.00 C ATOM 457 C PHE A 31 4.038 3.239 6.048 1.00 0.00 C ATOM 458 O PHE A 31 3.433 4.143 6.624 1.00 0.00 O ATOM 459 CB PHE A 31 2.263 1.879 4.925 1.00 0.00 C ATOM 460 CG PHE A 31 1.867 0.520 4.422 1.00 0.00 C ATOM 461 CD1 PHE A 31 1.229 -0.384 5.256 1.00 0.00 C ATOM 462 CD2 PHE A 31 2.133 0.147 3.114 1.00 0.00 C ATOM 463 CE1 PHE A 31 0.864 -1.635 4.795 1.00 0.00 C ATOM 464 CE2 PHE A 31 1.770 -1.103 2.647 1.00 0.00 C ATOM 465 CZ PHE A 31 1.134 -1.994 3.489 1.00 0.00 C ATOM 0 H PHE A 31 1.964 1.405 7.354 1.00 0.00 H new ATOM 0 HA PHE A 31 4.193 1.165 5.547 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.402 2.346 5.402 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.537 2.506 4.077 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.014 -0.108 6.278 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.630 0.841 2.452 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.368 -2.331 5.455 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.983 -1.382 1.626 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.848 -2.970 3.127 1.00 0.00 H new ATOM 475 N VAL A 32 5.241 3.403 5.508 1.00 0.00 N ATOM 476 CA VAL A 32 5.935 4.684 5.562 1.00 0.00 C ATOM 477 C VAL A 32 6.243 5.202 4.162 1.00 0.00 C ATOM 478 O VAL A 32 7.280 4.879 3.582 1.00 0.00 O ATOM 479 CB VAL A 32 7.249 4.577 6.358 1.00 0.00 C ATOM 480 CG1 VAL A 32 8.007 5.895 6.318 1.00 0.00 C ATOM 481 CG2 VAL A 32 6.970 4.157 7.793 1.00 0.00 C ATOM 0 H VAL A 32 5.756 2.665 5.028 1.00 0.00 H new ATOM 0 HA VAL A 32 5.269 5.384 6.067 1.00 0.00 H new ATOM 0 HB VAL A 32 7.873 3.813 5.894 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.933 5.800 6.886 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.240 6.149 5.284 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.392 6.682 6.755 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.910 4.086 8.341 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.327 4.896 8.270 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.473 3.187 7.798 1.00 0.00 H new ATOM 491 N LEU A 33 5.335 6.008 3.623 1.00 0.00 N ATOM 492 CA LEU A 33 5.509 6.573 2.289 1.00 0.00 C ATOM 493 C LEU A 33 6.436 7.783 2.326 1.00 0.00 C ATOM 494 O LEU A 33 6.254 8.695 3.134 1.00 0.00 O ATOM 495 CB LEU A 33 4.154 6.973 1.702 1.00 0.00 C ATOM 496 CG LEU A 33 4.186 7.611 0.313 1.00 0.00 C ATOM 497 CD1 LEU A 33 4.135 6.542 -0.767 1.00 0.00 C ATOM 498 CD2 LEU A 33 3.033 8.591 0.151 1.00 0.00 C ATOM 0 H LEU A 33 4.471 6.285 4.089 1.00 0.00 H new ATOM 0 HA LEU A 33 5.962 5.811 1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.524 6.085 1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.675 7.670 2.389 1.00 0.00 H new ATOM 0 HG LEU A 33 5.122 8.160 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.159 7.015 -1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.994 5.879 -0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.216 5.965 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.071 9.036 -0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.087 8.064 0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.114 9.376 0.903 1.00 0.00 H new ATOM 510 N THR A 34 7.432 7.786 1.446 1.00 0.00 N ATOM 511 CA THR A 34 8.388 8.884 1.377 1.00 0.00 C ATOM 512 C THR A 34 8.689 9.262 -0.069 1.00 0.00 C ATOM 513 O THR A 34 8.144 8.671 -1.001 1.00 0.00 O ATOM 514 CB THR A 34 9.707 8.526 2.087 1.00 0.00 C ATOM 515 OG1 THR A 34 10.358 7.453 1.399 1.00 0.00 O ATOM 516 CG2 THR A 34 9.452 8.128 3.533 1.00 0.00 C ATOM 0 H THR A 34 7.598 7.040 0.771 1.00 0.00 H new ATOM 0 HA THR A 34 7.930 9.733 1.884 1.00 0.00 H new ATOM 0 HB THR A 34 10.350 9.406 2.077 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.707 6.748 1.202 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.398 7.879 4.014 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.983 8.958 4.062 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.792 7.261 3.561 1.00 0.00 H new ATOM 524 N ALA A 35 9.559 10.250 -0.249 1.00 0.00 N ATOM 525 CA ALA A 35 9.934 10.704 -1.582 1.00 0.00 C ATOM 526 C ALA A 35 10.749 9.644 -2.315 1.00 0.00 C ATOM 527 O ALA A 35 10.733 9.576 -3.543 1.00 0.00 O ATOM 528 CB ALA A 35 10.717 12.006 -1.495 1.00 0.00 C ATOM 0 H ALA A 35 10.017 10.751 0.512 1.00 0.00 H new ATOM 0 HA ALA A 35 9.020 10.879 -2.149 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.991 12.334 -2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.102 12.770 -1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.620 11.849 -0.906 1.00 0.00 H new ATOM 534 N GLU A 36 11.459 8.818 -1.552 1.00 0.00 N ATOM 535 CA GLU A 36 12.281 7.761 -2.131 1.00 0.00 C ATOM 536 C GLU A 36 11.428 6.551 -2.503 1.00 0.00 C ATOM 537 O GLU A 36 11.238 6.251 -3.681 1.00 0.00 O ATOM 538 CB GLU A 36 13.378 7.344 -1.150 1.00 0.00 C ATOM 539 CG GLU A 36 14.492 8.368 -1.011 1.00 0.00 C ATOM 540 CD GLU A 36 15.615 8.147 -2.005 1.00 0.00 C ATOM 541 OE1 GLU A 36 15.346 8.187 -3.224 1.00 0.00 O ATOM 542 OE2 GLU A 36 16.764 7.934 -1.564 1.00 0.00 O ATOM 0 H GLU A 36 11.482 8.860 -0.533 1.00 0.00 H new ATOM 0 HA GLU A 36 12.743 8.150 -3.038 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.931 7.170 -0.171 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.806 6.397 -1.478 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.081 9.368 -1.150 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.894 8.326 0.001 1.00 0.00 H new ATOM 549 N SER A 37 10.918 5.860 -1.489 1.00 0.00 N ATOM 550 CA SER A 37 10.090 4.680 -1.708 1.00 0.00 C ATOM 551 C SER A 37 9.167 4.435 -0.518 1.00 0.00 C ATOM 552 O SER A 37 9.215 5.158 0.479 1.00 0.00 O ATOM 553 CB SER A 37 10.969 3.451 -1.948 1.00 0.00 C ATOM 554 OG SER A 37 11.315 2.825 -0.724 1.00 0.00 O ATOM 0 H SER A 37 11.064 6.097 -0.508 1.00 0.00 H new ATOM 0 HA SER A 37 9.476 4.857 -2.591 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.442 2.742 -2.587 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.875 3.746 -2.478 1.00 0.00 H new ATOM 0 HG SER A 37 12.289 2.833 -0.617 1.00 0.00 H new ATOM 560 N LEU A 38 8.328 3.412 -0.629 1.00 0.00 N ATOM 561 CA LEU A 38 7.393 3.070 0.437 1.00 0.00 C ATOM 562 C LEU A 38 7.746 1.723 1.060 1.00 0.00 C ATOM 563 O LEU A 38 7.887 0.721 0.359 1.00 0.00 O ATOM 564 CB LEU A 38 5.962 3.034 -0.104 1.00 0.00 C ATOM 565 CG LEU A 38 4.923 2.358 0.790 1.00 0.00 C ATOM 566 CD1 LEU A 38 4.509 3.284 1.923 1.00 0.00 C ATOM 567 CD2 LEU A 38 3.710 1.936 -0.026 1.00 0.00 C ATOM 0 H LEU A 38 8.276 2.804 -1.447 1.00 0.00 H new ATOM 0 HA LEU A 38 7.465 3.837 1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.640 4.058 -0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.972 2.522 -1.066 1.00 0.00 H new ATOM 0 HG LEU A 38 5.373 1.465 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.769 2.785 2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.382 3.536 2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.079 4.196 1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.981 1.457 0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.260 2.814 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.019 1.235 -0.801 1.00 0.00 H new ATOM 579 N SER A 39 7.887 1.708 2.382 1.00 0.00 N ATOM 580 CA SER A 39 8.225 0.484 3.100 1.00 0.00 C ATOM 581 C SER A 39 7.332 0.308 4.324 1.00 0.00 C ATOM 582 O SER A 39 7.050 1.267 5.043 1.00 0.00 O ATOM 583 CB SER A 39 9.695 0.508 3.526 1.00 0.00 C ATOM 584 OG SER A 39 10.528 0.929 2.460 1.00 0.00 O ATOM 0 H SER A 39 7.773 2.529 2.977 1.00 0.00 H new ATOM 0 HA SER A 39 8.062 -0.359 2.429 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.820 1.179 4.376 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.997 -0.486 3.857 1.00 0.00 H new ATOM 0 HG SER A 39 11.434 1.091 2.797 1.00 0.00 H new ATOM 590 N TRP A 40 6.891 -0.923 4.554 1.00 0.00 N ATOM 591 CA TRP A 40 6.029 -1.226 5.691 1.00 0.00 C ATOM 592 C TRP A 40 6.766 -2.074 6.722 1.00 0.00 C ATOM 593 O TRP A 40 7.415 -3.062 6.377 1.00 0.00 O ATOM 594 CB TRP A 40 4.768 -1.954 5.222 1.00 0.00 C ATOM 595 CG TRP A 40 5.046 -3.050 4.238 1.00 0.00 C ATOM 596 CD1 TRP A 40 5.289 -4.364 4.522 1.00 0.00 C ATOM 597 CD2 TRP A 40 5.112 -2.926 2.813 1.00 0.00 C ATOM 598 NE1 TRP A 40 5.501 -5.064 3.359 1.00 0.00 N ATOM 599 CE2 TRP A 40 5.397 -4.206 2.297 1.00 0.00 C ATOM 600 CE3 TRP A 40 4.955 -1.860 1.923 1.00 0.00 C ATOM 601 CZ2 TRP A 40 5.530 -4.444 0.932 1.00 0.00 C ATOM 602 CZ3 TRP A 40 5.088 -2.099 0.569 1.00 0.00 C ATOM 603 CH2 TRP A 40 5.372 -3.382 0.083 1.00 0.00 C ATOM 0 H TRP A 40 7.116 -1.728 3.969 1.00 0.00 H new ATOM 0 HA TRP A 40 5.743 -0.284 6.159 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.256 -2.374 6.088 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.088 -1.233 4.769 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.311 -4.790 5.514 1.00 0.00 H new ATOM 0 HE1 TRP A 40 5.703 -6.062 3.297 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.734 -0.868 2.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.750 -5.432 0.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 4.971 -1.282 -0.128 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.468 -3.536 -0.982 1.00 0.00 H new ATOM 614 N TYR A 41 6.661 -1.683 7.987 1.00 0.00 N ATOM 615 CA TYR A 41 7.320 -2.406 9.068 1.00 0.00 C ATOM 616 C TYR A 41 6.302 -2.912 10.085 1.00 0.00 C ATOM 617 O TYR A 41 5.096 -2.737 9.914 1.00 0.00 O ATOM 618 CB TYR A 41 8.346 -1.507 9.760 1.00 0.00 C ATOM 619 CG TYR A 41 9.108 -0.613 8.808 1.00 0.00 C ATOM 620 CD1 TYR A 41 8.461 0.391 8.099 1.00 0.00 C ATOM 621 CD2 TYR A 41 10.475 -0.773 8.617 1.00 0.00 C ATOM 622 CE1 TYR A 41 9.153 1.210 7.228 1.00 0.00 C ATOM 623 CE2 TYR A 41 11.175 0.042 7.749 1.00 0.00 C ATOM 624 CZ TYR A 41 10.510 1.032 7.057 1.00 0.00 C ATOM 625 OH TYR A 41 11.203 1.845 6.190 1.00 0.00 O ATOM 0 H TYR A 41 6.126 -0.869 8.289 1.00 0.00 H new ATOM 0 HA TYR A 41 7.833 -3.265 8.636 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.835 -0.887 10.497 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.054 -2.131 10.305 1.00 0.00 H new ATOM 0 HD1 TYR A 41 7.399 0.534 8.231 1.00 0.00 H new ATOM 0 HD2 TYR A 41 10.999 -1.548 9.157 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.634 1.985 6.684 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.238 -0.095 7.613 1.00 0.00 H new ATOM 0 HH TYR A 41 12.127 1.945 6.502 1.00 0.00 H new ATOM 635 N LYS A 42 6.797 -3.541 11.146 1.00 0.00 N ATOM 636 CA LYS A 42 5.934 -4.072 12.193 1.00 0.00 C ATOM 637 C LYS A 42 5.303 -2.943 13.003 1.00 0.00 C ATOM 638 O LYS A 42 4.099 -2.949 13.261 1.00 0.00 O ATOM 639 CB LYS A 42 6.729 -4.995 13.119 1.00 0.00 C ATOM 640 CG LYS A 42 6.766 -6.440 12.652 1.00 0.00 C ATOM 641 CD LYS A 42 7.910 -7.205 13.297 1.00 0.00 C ATOM 642 CE LYS A 42 7.524 -7.733 14.670 1.00 0.00 C ATOM 643 NZ LYS A 42 7.604 -6.674 15.714 1.00 0.00 N ATOM 0 H LYS A 42 7.793 -3.695 11.303 1.00 0.00 H new ATOM 0 HA LYS A 42 5.137 -4.644 11.717 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.750 -4.622 13.201 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.294 -4.956 14.118 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.820 -6.926 12.893 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.872 -6.470 11.568 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.201 -8.036 12.655 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.779 -6.553 13.388 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.510 -8.132 14.634 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.182 -8.559 14.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.095 -7.048 16.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.129 -5.858 15.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.644 -6.375 15.980 1.00 0.00 H new ATOM 657 N ASP A 43 6.123 -1.976 13.399 1.00 0.00 N ATOM 658 CA ASP A 43 5.645 -0.839 14.177 1.00 0.00 C ATOM 659 C ASP A 43 6.224 0.467 13.643 1.00 0.00 C ATOM 660 O ASP A 43 7.058 0.463 12.738 1.00 0.00 O ATOM 661 CB ASP A 43 6.014 -1.010 15.651 1.00 0.00 C ATOM 662 CG ASP A 43 5.274 -2.161 16.303 1.00 0.00 C ATOM 663 OD1 ASP A 43 5.215 -3.250 15.694 1.00 0.00 O ATOM 664 OD2 ASP A 43 4.755 -1.974 17.423 1.00 0.00 O ATOM 0 H ASP A 43 7.122 -1.957 13.194 1.00 0.00 H new ATOM 0 HA ASP A 43 4.560 -0.799 14.085 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.088 -1.177 15.737 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.791 -0.088 16.188 1.00 0.00 H new ATOM 669 N GLU A 44 5.776 1.583 14.209 1.00 0.00 N ATOM 670 CA GLU A 44 6.249 2.897 13.787 1.00 0.00 C ATOM 671 C GLU A 44 7.764 3.003 13.937 1.00 0.00 C ATOM 672 O GLU A 44 8.397 3.875 13.344 1.00 0.00 O ATOM 673 CB GLU A 44 5.567 3.996 14.605 1.00 0.00 C ATOM 674 CG GLU A 44 4.104 3.712 14.904 1.00 0.00 C ATOM 675 CD GLU A 44 3.911 2.953 16.202 1.00 0.00 C ATOM 676 OE1 GLU A 44 4.834 2.210 16.598 1.00 0.00 O ATOM 677 OE2 GLU A 44 2.838 3.102 16.823 1.00 0.00 O ATOM 0 H GLU A 44 5.087 1.604 14.960 1.00 0.00 H new ATOM 0 HA GLU A 44 5.995 3.026 12.735 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.103 4.123 15.545 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.642 4.940 14.065 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.558 4.654 14.953 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.674 3.137 14.084 1.00 0.00 H new ATOM 684 N GLU A 45 8.338 2.108 14.735 1.00 0.00 N ATOM 685 CA GLU A 45 9.778 2.102 14.964 1.00 0.00 C ATOM 686 C GLU A 45 10.535 1.869 13.660 1.00 0.00 C ATOM 687 O GLU A 45 11.630 2.395 13.465 1.00 0.00 O ATOM 688 CB GLU A 45 10.151 1.022 15.982 1.00 0.00 C ATOM 689 CG GLU A 45 9.668 1.322 17.392 1.00 0.00 C ATOM 690 CD GLU A 45 8.172 1.560 17.458 1.00 0.00 C ATOM 691 OE1 GLU A 45 7.417 0.569 17.531 1.00 0.00 O ATOM 692 OE2 GLU A 45 7.757 2.738 17.437 1.00 0.00 O ATOM 0 H GLU A 45 7.828 1.378 15.233 1.00 0.00 H new ATOM 0 HA GLU A 45 10.061 3.077 15.360 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.732 0.069 15.658 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.235 0.906 15.995 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.929 0.490 18.046 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.189 2.201 17.771 1.00 0.00 H new ATOM 699 N GLU A 46 9.943 1.078 12.772 1.00 0.00 N ATOM 700 CA GLU A 46 10.562 0.775 11.487 1.00 0.00 C ATOM 701 C GLU A 46 11.932 0.130 11.681 1.00 0.00 C ATOM 702 O GLU A 46 12.822 0.271 10.843 1.00 0.00 O ATOM 703 CB GLU A 46 10.700 2.048 10.649 1.00 0.00 C ATOM 704 CG GLU A 46 9.384 2.773 10.422 1.00 0.00 C ATOM 705 CD GLU A 46 9.564 4.268 10.249 1.00 0.00 C ATOM 706 OE1 GLU A 46 9.972 4.694 9.149 1.00 0.00 O ATOM 707 OE2 GLU A 46 9.296 5.013 11.216 1.00 0.00 O ATOM 0 H GLU A 46 9.036 0.635 12.918 1.00 0.00 H new ATOM 0 HA GLU A 46 9.919 0.070 10.961 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.397 2.724 11.143 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.135 1.792 9.683 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.897 2.365 9.537 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.720 2.586 11.266 1.00 0.00 H new ATOM 714 N LYS A 47 12.093 -0.577 12.795 1.00 0.00 N ATOM 715 CA LYS A 47 13.352 -1.245 13.102 1.00 0.00 C ATOM 716 C LYS A 47 13.624 -2.375 12.113 1.00 0.00 C ATOM 717 O LYS A 47 14.751 -2.548 11.651 1.00 0.00 O ATOM 718 CB LYS A 47 13.326 -1.797 14.529 1.00 0.00 C ATOM 719 CG LYS A 47 12.183 -2.764 14.786 1.00 0.00 C ATOM 720 CD LYS A 47 12.035 -3.070 16.267 1.00 0.00 C ATOM 721 CE LYS A 47 10.594 -3.399 16.626 1.00 0.00 C ATOM 722 NZ LYS A 47 10.303 -4.852 16.477 1.00 0.00 N ATOM 0 H LYS A 47 11.367 -0.702 13.500 1.00 0.00 H new ATOM 0 HA LYS A 47 14.154 -0.511 13.018 1.00 0.00 H new ATOM 0 HB2 LYS A 47 14.271 -2.302 14.732 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.252 -0.966 15.230 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.254 -2.340 14.406 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.358 -3.690 14.238 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.678 -3.909 16.532 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.371 -2.214 16.852 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.397 -3.093 17.653 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.921 -2.827 15.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.311 -5.035 16.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.467 -5.140 15.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.928 -5.397 17.105 1.00 0.00 H new ATOM 736 N GLU A 48 12.584 -3.138 11.794 1.00 0.00 N ATOM 737 CA GLU A 48 12.713 -4.251 10.860 1.00 0.00 C ATOM 738 C GLU A 48 11.844 -4.027 9.625 1.00 0.00 C ATOM 739 O GLU A 48 10.616 -4.076 9.698 1.00 0.00 O ATOM 740 CB GLU A 48 12.322 -5.565 11.540 1.00 0.00 C ATOM 741 CG GLU A 48 13.380 -6.094 12.494 1.00 0.00 C ATOM 742 CD GLU A 48 13.224 -7.576 12.773 1.00 0.00 C ATOM 743 OE1 GLU A 48 12.125 -7.986 13.201 1.00 0.00 O ATOM 744 OE2 GLU A 48 14.200 -8.326 12.564 1.00 0.00 O ATOM 0 H GLU A 48 11.644 -3.007 12.168 1.00 0.00 H new ATOM 0 HA GLU A 48 13.755 -4.309 10.545 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.391 -5.418 12.088 1.00 0.00 H new ATOM 0 HB3 GLU A 48 12.126 -6.316 10.775 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.368 -5.909 12.073 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.325 -5.543 13.433 1.00 0.00 H new ATOM 751 N LYS A 49 12.492 -3.781 8.491 1.00 0.00 N ATOM 752 CA LYS A 49 11.781 -3.550 7.239 1.00 0.00 C ATOM 753 C LYS A 49 11.430 -4.870 6.561 1.00 0.00 C ATOM 754 O LYS A 49 12.312 -5.653 6.208 1.00 0.00 O ATOM 755 CB LYS A 49 12.630 -2.692 6.298 1.00 0.00 C ATOM 756 CG LYS A 49 11.849 -2.116 5.129 1.00 0.00 C ATOM 757 CD LYS A 49 12.758 -1.372 4.164 1.00 0.00 C ATOM 758 CE LYS A 49 13.615 -0.344 4.885 1.00 0.00 C ATOM 759 NZ LYS A 49 14.186 0.660 3.945 1.00 0.00 N ATOM 0 H LYS A 49 13.508 -3.737 8.413 1.00 0.00 H new ATOM 0 HA LYS A 49 10.855 -3.022 7.468 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.073 -1.874 6.866 1.00 0.00 H new ATOM 0 HB3 LYS A 49 13.452 -3.295 5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.336 -2.920 4.601 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.080 -1.439 5.502 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.401 -2.084 3.646 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.155 -0.875 3.404 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.014 0.165 5.639 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.424 -0.851 5.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.764 1.343 4.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.780 0.178 3.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.414 1.162 3.462 1.00 0.00 H new ATOM 773 N LYS A 50 10.136 -5.111 6.381 1.00 0.00 N ATOM 774 CA LYS A 50 9.666 -6.335 5.743 1.00 0.00 C ATOM 775 C LYS A 50 10.054 -6.364 4.268 1.00 0.00 C ATOM 776 O LYS A 50 10.819 -7.225 3.833 1.00 0.00 O ATOM 777 CB LYS A 50 8.147 -6.459 5.884 1.00 0.00 C ATOM 778 CG LYS A 50 7.674 -6.526 7.325 1.00 0.00 C ATOM 779 CD LYS A 50 8.178 -7.779 8.020 1.00 0.00 C ATOM 780 CE LYS A 50 7.817 -7.781 9.498 1.00 0.00 C ATOM 781 NZ LYS A 50 8.480 -8.896 10.229 1.00 0.00 N ATOM 0 H LYS A 50 9.393 -4.474 6.668 1.00 0.00 H new ATOM 0 HA LYS A 50 10.141 -7.180 6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.674 -5.608 5.394 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.814 -7.354 5.359 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.022 -5.645 7.864 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.585 -6.507 7.352 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.752 -8.659 7.539 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.260 -7.848 7.909 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.108 -6.830 9.944 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.736 -7.867 9.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.826 -9.282 10.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.742 -9.645 9.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.335 -8.541 10.702 1.00 0.00 H new ATOM 795 N TYR A 51 9.524 -5.416 3.503 1.00 0.00 N ATOM 796 CA TYR A 51 9.815 -5.333 2.077 1.00 0.00 C ATOM 797 C TYR A 51 9.603 -3.913 1.559 1.00 0.00 C ATOM 798 O TYR A 51 8.565 -3.299 1.806 1.00 0.00 O ATOM 799 CB TYR A 51 8.931 -6.308 1.298 1.00 0.00 C ATOM 800 CG TYR A 51 9.264 -6.382 -0.176 1.00 0.00 C ATOM 801 CD1 TYR A 51 8.830 -5.399 -1.056 1.00 0.00 C ATOM 802 CD2 TYR A 51 10.012 -7.436 -0.687 1.00 0.00 C ATOM 803 CE1 TYR A 51 9.130 -5.463 -2.403 1.00 0.00 C ATOM 804 CE2 TYR A 51 10.319 -7.507 -2.032 1.00 0.00 C ATOM 805 CZ TYR A 51 9.876 -6.518 -2.886 1.00 0.00 C ATOM 806 OH TYR A 51 10.178 -6.586 -4.227 1.00 0.00 O ATOM 0 H TYR A 51 8.891 -4.694 3.847 1.00 0.00 H new ATOM 0 HA TYR A 51 10.861 -5.602 1.929 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.029 -7.302 1.734 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.889 -6.011 1.412 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.248 -4.570 -0.681 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.359 -8.213 -0.021 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.782 -4.691 -3.074 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.903 -8.332 -2.413 1.00 0.00 H new ATOM 0 HH TYR A 51 10.710 -7.390 -4.402 1.00 0.00 H new ATOM 816 N MET A 52 10.595 -3.399 0.839 1.00 0.00 N ATOM 817 CA MET A 52 10.517 -2.052 0.285 1.00 0.00 C ATOM 818 C MET A 52 9.906 -2.074 -1.112 1.00 0.00 C ATOM 819 O MET A 52 10.010 -3.069 -1.831 1.00 0.00 O ATOM 820 CB MET A 52 11.908 -1.417 0.235 1.00 0.00 C ATOM 821 CG MET A 52 11.949 -0.101 -0.524 1.00 0.00 C ATOM 822 SD MET A 52 13.631 0.458 -0.855 1.00 0.00 S ATOM 823 CE MET A 52 13.835 -0.072 -2.554 1.00 0.00 C ATOM 0 H MET A 52 11.461 -3.894 0.626 1.00 0.00 H new ATOM 0 HA MET A 52 9.876 -1.456 0.934 1.00 0.00 H new ATOM 0 HB2 MET A 52 12.259 -1.251 1.253 1.00 0.00 H new ATOM 0 HB3 MET A 52 12.601 -2.117 -0.231 1.00 0.00 H new ATOM 0 HG2 MET A 52 11.415 -0.214 -1.468 1.00 0.00 H new ATOM 0 HG3 MET A 52 11.423 0.662 0.050 1.00 0.00 H new ATOM 0 HE1 MET A 52 14.830 0.203 -2.904 1.00 0.00 H new ATOM 0 HE2 MET A 52 13.715 -1.154 -2.615 1.00 0.00 H new ATOM 0 HE3 MET A 52 13.084 0.412 -3.179 1.00 0.00 H new ATOM 833 N LEU A 53 9.268 -0.972 -1.491 1.00 0.00 N ATOM 834 CA LEU A 53 8.638 -0.865 -2.803 1.00 0.00 C ATOM 835 C LEU A 53 8.733 0.560 -3.337 1.00 0.00 C ATOM 836 O LEU A 53 8.427 1.531 -2.645 1.00 0.00 O ATOM 837 CB LEU A 53 7.173 -1.296 -2.724 1.00 0.00 C ATOM 838 CG LEU A 53 6.563 -1.841 -4.016 1.00 0.00 C ATOM 839 CD1 LEU A 53 7.024 -3.269 -4.263 1.00 0.00 C ATOM 840 CD2 LEU A 53 5.044 -1.770 -3.960 1.00 0.00 C ATOM 0 H LEU A 53 9.173 -0.140 -0.909 1.00 0.00 H new ATOM 0 HA LEU A 53 9.168 -1.526 -3.489 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.081 -2.060 -1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.581 -0.441 -2.399 1.00 0.00 H new ATOM 0 HG LEU A 53 6.905 -1.223 -4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.580 -3.640 -5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.110 -3.291 -4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.713 -3.901 -3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.627 -2.162 -4.888 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.683 -2.364 -3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.733 -0.733 -3.832 1.00 0.00 H new ATOM 852 N PRO A 54 9.166 0.691 -4.600 1.00 0.00 N ATOM 853 CA PRO A 54 9.308 1.994 -5.257 1.00 0.00 C ATOM 854 C PRO A 54 7.961 2.648 -5.547 1.00 0.00 C ATOM 855 O PRO A 54 6.909 2.043 -5.339 1.00 0.00 O ATOM 856 CB PRO A 54 10.031 1.656 -6.563 1.00 0.00 C ATOM 857 CG PRO A 54 9.682 0.233 -6.832 1.00 0.00 C ATOM 858 CD PRO A 54 9.549 -0.422 -5.484 1.00 0.00 C ATOM 0 HA PRO A 54 9.842 2.709 -4.631 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.704 2.304 -7.376 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.109 1.788 -6.464 1.00 0.00 H new ATOM 0 HG2 PRO A 54 8.752 0.159 -7.395 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.455 -0.253 -7.428 1.00 0.00 H new ATOM 0 HD2 PRO A 54 8.793 -1.207 -5.492 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.485 -0.883 -5.167 1.00 0.00 H new ATOM 866 N LEU A 55 8.001 3.885 -6.029 1.00 0.00 N ATOM 867 CA LEU A 55 6.783 4.621 -6.348 1.00 0.00 C ATOM 868 C LEU A 55 6.846 5.191 -7.762 1.00 0.00 C ATOM 869 O LEU A 55 6.157 6.160 -8.082 1.00 0.00 O ATOM 870 CB LEU A 55 6.566 5.750 -5.339 1.00 0.00 C ATOM 871 CG LEU A 55 7.039 5.474 -3.912 1.00 0.00 C ATOM 872 CD1 LEU A 55 7.111 6.767 -3.114 1.00 0.00 C ATOM 873 CD2 LEU A 55 6.117 4.474 -3.228 1.00 0.00 C ATOM 0 H LEU A 55 8.864 4.399 -6.207 1.00 0.00 H new ATOM 0 HA LEU A 55 5.944 3.928 -6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.078 6.640 -5.704 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.502 5.984 -5.309 1.00 0.00 H new ATOM 0 HG LEU A 55 8.039 5.043 -3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.450 6.551 -2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.812 7.451 -3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.123 7.227 -3.076 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.469 4.290 -2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.105 4.877 -3.193 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.116 3.538 -3.787 1.00 0.00 H new ATOM 885 N ASP A 56 7.675 4.583 -8.603 1.00 0.00 N ATOM 886 CA ASP A 56 7.826 5.029 -9.983 1.00 0.00 C ATOM 887 C ASP A 56 6.961 4.193 -10.922 1.00 0.00 C ATOM 888 O ASP A 56 6.084 4.718 -11.606 1.00 0.00 O ATOM 889 CB ASP A 56 9.292 4.945 -10.411 1.00 0.00 C ATOM 890 CG ASP A 56 9.530 5.546 -11.783 1.00 0.00 C ATOM 891 OD1 ASP A 56 9.275 4.849 -12.788 1.00 0.00 O ATOM 892 OD2 ASP A 56 9.970 6.712 -11.851 1.00 0.00 O ATOM 0 H ASP A 56 8.253 3.780 -8.353 1.00 0.00 H new ATOM 0 HA ASP A 56 7.497 6.067 -10.042 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.912 5.462 -9.678 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.607 3.902 -10.415 1.00 0.00 H new ATOM 897 N ASN A 57 7.216 2.888 -10.948 1.00 0.00 N ATOM 898 CA ASN A 57 6.462 1.979 -11.804 1.00 0.00 C ATOM 899 C ASN A 57 5.233 1.442 -11.077 1.00 0.00 C ATOM 900 O ASN A 57 4.758 0.343 -11.366 1.00 0.00 O ATOM 901 CB ASN A 57 7.349 0.818 -12.257 1.00 0.00 C ATOM 902 CG ASN A 57 8.804 1.222 -12.395 1.00 0.00 C ATOM 903 OD1 ASN A 57 9.574 1.148 -11.437 1.00 0.00 O ATOM 904 ND2 ASN A 57 9.188 1.651 -13.591 1.00 0.00 N ATOM 0 H ASN A 57 7.938 2.437 -10.387 1.00 0.00 H new ATOM 0 HA ASN A 57 6.130 2.536 -12.680 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.268 0.001 -11.540 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.987 0.440 -13.213 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.155 1.936 -13.744 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.516 1.696 -14.357 1.00 0.00 H new ATOM 911 N LEU A 58 4.721 2.225 -10.133 1.00 0.00 N ATOM 912 CA LEU A 58 3.547 1.828 -9.364 1.00 0.00 C ATOM 913 C LEU A 58 2.310 2.592 -9.828 1.00 0.00 C ATOM 914 O LEU A 58 2.416 3.653 -10.444 1.00 0.00 O ATOM 915 CB LEU A 58 3.782 2.074 -7.873 1.00 0.00 C ATOM 916 CG LEU A 58 4.808 1.164 -7.197 1.00 0.00 C ATOM 917 CD1 LEU A 58 4.530 1.060 -5.706 1.00 0.00 C ATOM 918 CD2 LEU A 58 4.803 -0.216 -7.840 1.00 0.00 C ATOM 0 H LEU A 58 5.101 3.138 -9.882 1.00 0.00 H new ATOM 0 HA LEU A 58 3.378 0.764 -9.528 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.101 3.108 -7.741 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.830 1.965 -7.353 1.00 0.00 H new ATOM 0 HG LEU A 58 5.797 1.602 -7.331 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.271 0.408 -5.242 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.586 2.051 -5.255 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.534 0.646 -5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.539 -0.850 -7.346 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.813 -0.661 -7.738 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.053 -0.126 -8.897 1.00 0.00 H new ATOM 930 N LYS A 59 1.137 2.046 -9.526 1.00 0.00 N ATOM 931 CA LYS A 59 -0.122 2.676 -9.908 1.00 0.00 C ATOM 932 C LYS A 59 -1.254 2.231 -8.988 1.00 0.00 C ATOM 933 O LYS A 59 -1.208 1.143 -8.414 1.00 0.00 O ATOM 934 CB LYS A 59 -0.466 2.337 -11.360 1.00 0.00 C ATOM 935 CG LYS A 59 -1.258 3.423 -12.067 1.00 0.00 C ATOM 936 CD LYS A 59 -0.931 3.475 -13.550 1.00 0.00 C ATOM 937 CE LYS A 59 0.220 4.429 -13.833 1.00 0.00 C ATOM 938 NZ LYS A 59 0.523 4.515 -15.289 1.00 0.00 N ATOM 0 H LYS A 59 1.032 1.168 -9.018 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.003 3.755 -9.812 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.457 2.156 -11.910 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.038 1.409 -11.382 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.325 3.241 -11.935 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.040 4.389 -11.611 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.672 2.476 -13.902 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.813 3.791 -14.107 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.028 5.420 -13.454 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.108 4.096 -13.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.313 5.175 -15.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.785 3.574 -15.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.317 4.857 -15.799 1.00 0.00 H new ATOM 952 N ILE A 60 -2.269 3.078 -8.854 1.00 0.00 N ATOM 953 CA ILE A 60 -3.414 2.769 -8.007 1.00 0.00 C ATOM 954 C ILE A 60 -4.684 2.609 -8.835 1.00 0.00 C ATOM 955 O ILE A 60 -4.973 3.423 -9.712 1.00 0.00 O ATOM 956 CB ILE A 60 -3.641 3.864 -6.947 1.00 0.00 C ATOM 957 CG1 ILE A 60 -2.386 4.043 -6.091 1.00 0.00 C ATOM 958 CG2 ILE A 60 -4.839 3.517 -6.075 1.00 0.00 C ATOM 959 CD1 ILE A 60 -2.401 5.303 -5.253 1.00 0.00 C ATOM 0 H ILE A 60 -2.322 3.983 -9.321 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.190 1.828 -7.505 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.848 4.805 -7.456 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.278 3.180 -5.434 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.512 4.059 -6.741 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.987 4.300 -5.331 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.730 3.435 -6.697 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.659 2.567 -5.571 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.481 5.365 -4.672 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.477 6.173 -5.905 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.256 5.280 -4.577 1.00 0.00 H new ATOM 971 N ARG A 61 -5.441 1.554 -8.550 1.00 0.00 N ATOM 972 CA ARG A 61 -6.681 1.286 -9.268 1.00 0.00 C ATOM 973 C ARG A 61 -7.787 0.866 -8.305 1.00 0.00 C ATOM 974 O ARG A 61 -7.548 0.683 -7.111 1.00 0.00 O ATOM 975 CB ARG A 61 -6.462 0.195 -10.318 1.00 0.00 C ATOM 976 CG ARG A 61 -5.932 -1.108 -9.741 1.00 0.00 C ATOM 977 CD ARG A 61 -5.555 -2.090 -10.838 1.00 0.00 C ATOM 978 NE ARG A 61 -6.686 -2.924 -11.239 1.00 0.00 N ATOM 979 CZ ARG A 61 -6.640 -3.791 -12.244 1.00 0.00 C ATOM 980 NH1 ARG A 61 -5.526 -3.937 -12.947 1.00 0.00 N ATOM 981 NH2 ARG A 61 -7.711 -4.513 -12.548 1.00 0.00 N ATOM 0 H ARG A 61 -5.217 0.871 -7.827 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.988 2.205 -9.768 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.405 -0.001 -10.829 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.762 0.561 -11.070 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.061 -0.904 -9.119 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.687 -1.555 -9.095 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.184 -1.541 -11.704 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.741 -2.726 -10.491 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.559 -2.835 -10.718 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.701 -3.383 -12.717 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.493 -4.604 -13.718 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.570 -4.402 -12.010 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.675 -5.179 -13.320 1.00 0.00 H new ATOM 995 N ASP A 62 -8.997 0.715 -8.832 1.00 0.00 N ATOM 996 CA ASP A 62 -10.141 0.316 -8.020 1.00 0.00 C ATOM 997 C ASP A 62 -10.195 -1.201 -7.866 1.00 0.00 C ATOM 998 O ASP A 62 -10.189 -1.936 -8.854 1.00 0.00 O ATOM 999 CB ASP A 62 -11.440 0.825 -8.646 1.00 0.00 C ATOM 1000 CG ASP A 62 -11.521 2.338 -8.662 1.00 0.00 C ATOM 1001 OD1 ASP A 62 -10.645 2.973 -9.286 1.00 0.00 O ATOM 1002 OD2 ASP A 62 -12.461 2.888 -8.051 1.00 0.00 O ATOM 0 H ASP A 62 -9.211 0.863 -9.818 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.026 0.759 -7.031 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.520 0.449 -9.666 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.288 0.425 -8.091 1.00 0.00 H new ATOM 1007 N VAL A 63 -10.247 -1.663 -6.621 1.00 0.00 N ATOM 1008 CA VAL A 63 -10.302 -3.092 -6.338 1.00 0.00 C ATOM 1009 C VAL A 63 -11.556 -3.722 -6.934 1.00 0.00 C ATOM 1010 O VAL A 63 -12.616 -3.099 -6.974 1.00 0.00 O ATOM 1011 CB VAL A 63 -10.275 -3.365 -4.822 1.00 0.00 C ATOM 1012 CG1 VAL A 63 -10.184 -4.859 -4.550 1.00 0.00 C ATOM 1013 CG2 VAL A 63 -9.117 -2.625 -4.169 1.00 0.00 C ATOM 0 H VAL A 63 -10.252 -1.068 -5.792 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.420 -3.540 -6.796 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.204 -2.997 -4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.166 -5.033 -3.474 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -11.049 -5.361 -4.984 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.272 -5.255 -4.997 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.113 -2.829 -3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.177 -2.962 -4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.231 -1.554 -4.334 1.00 0.00 H new ATOM 1023 N GLU A 64 -11.426 -4.962 -7.396 1.00 0.00 N ATOM 1024 CA GLU A 64 -12.549 -5.677 -7.990 1.00 0.00 C ATOM 1025 C GLU A 64 -13.098 -6.725 -7.027 1.00 0.00 C ATOM 1026 O GLU A 64 -13.195 -7.905 -7.364 1.00 0.00 O ATOM 1027 CB GLU A 64 -12.122 -6.345 -9.299 1.00 0.00 C ATOM 1028 CG GLU A 64 -11.634 -5.364 -10.352 1.00 0.00 C ATOM 1029 CD GLU A 64 -10.648 -5.990 -11.319 1.00 0.00 C ATOM 1030 OE1 GLU A 64 -9.635 -6.552 -10.852 1.00 0.00 O ATOM 1031 OE2 GLU A 64 -10.888 -5.917 -12.542 1.00 0.00 O ATOM 0 H GLU A 64 -10.555 -5.492 -7.370 1.00 0.00 H new ATOM 0 HA GLU A 64 -13.337 -4.954 -8.200 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.330 -7.063 -9.089 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -12.964 -6.908 -9.701 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.489 -4.979 -10.908 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -11.164 -4.512 -9.860 1.00 0.00 H new ATOM 1038 N LYS A 65 -13.456 -6.286 -5.825 1.00 0.00 N ATOM 1039 CA LYS A 65 -13.997 -7.184 -4.812 1.00 0.00 C ATOM 1040 C LYS A 65 -15.213 -7.936 -5.343 1.00 0.00 C ATOM 1041 O LYS A 65 -15.246 -9.165 -5.336 1.00 0.00 O ATOM 1042 CB LYS A 65 -14.379 -6.397 -3.556 1.00 0.00 C ATOM 1043 CG LYS A 65 -14.645 -7.276 -2.345 1.00 0.00 C ATOM 1044 CD LYS A 65 -13.359 -7.615 -1.610 1.00 0.00 C ATOM 1045 CE LYS A 65 -13.603 -8.619 -0.494 1.00 0.00 C ATOM 1046 NZ LYS A 65 -12.330 -9.094 0.114 1.00 0.00 N ATOM 0 H LYS A 65 -13.381 -5.313 -5.529 1.00 0.00 H new ATOM 0 HA LYS A 65 -13.226 -7.911 -4.558 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.578 -5.698 -3.318 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -15.269 -5.803 -3.766 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -15.329 -6.766 -1.667 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -15.137 -8.195 -2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.633 -8.021 -2.314 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.926 -6.705 -1.194 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.225 -8.162 0.276 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.158 -9.471 -0.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.540 -9.777 0.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.747 -9.553 -0.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.812 -8.285 0.512 1.00 0.00 H new ATOM 1060 N GLY A 66 -16.210 -7.187 -5.806 1.00 0.00 N ATOM 1061 CA GLY A 66 -17.414 -7.801 -6.336 1.00 0.00 C ATOM 1062 C GLY A 66 -18.677 -7.193 -5.759 1.00 0.00 C ATOM 1063 O GLY A 66 -19.429 -6.521 -6.466 1.00 0.00 O ATOM 0 H GLY A 66 -16.205 -6.167 -5.823 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.426 -7.694 -7.421 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.398 -8.870 -6.121 1.00 0.00 H new ATOM 1067 N PHE A 67 -18.912 -7.429 -4.473 1.00 0.00 N ATOM 1068 CA PHE A 67 -20.095 -6.901 -3.803 1.00 0.00 C ATOM 1069 C PHE A 67 -20.277 -5.418 -4.108 1.00 0.00 C ATOM 1070 O PHE A 67 -19.312 -4.709 -4.394 1.00 0.00 O ATOM 1071 CB PHE A 67 -19.987 -7.113 -2.291 1.00 0.00 C ATOM 1072 CG PHE A 67 -21.317 -7.267 -1.611 1.00 0.00 C ATOM 1073 CD1 PHE A 67 -22.034 -8.447 -1.722 1.00 0.00 C ATOM 1074 CD2 PHE A 67 -21.850 -6.231 -0.860 1.00 0.00 C ATOM 1075 CE1 PHE A 67 -23.259 -8.591 -1.098 1.00 0.00 C ATOM 1076 CE2 PHE A 67 -23.074 -6.369 -0.233 1.00 0.00 C ATOM 1077 CZ PHE A 67 -23.779 -7.551 -0.351 1.00 0.00 C ATOM 0 H PHE A 67 -18.299 -7.982 -3.874 1.00 0.00 H new ATOM 0 HA PHE A 67 -20.965 -7.440 -4.178 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -19.385 -8.001 -2.099 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -19.458 -6.268 -1.850 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -21.631 -9.264 -2.303 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -21.302 -5.305 -0.764 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -23.809 -9.515 -1.194 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -23.479 -5.554 0.348 1.00 0.00 H new ATOM 0 HZ PHE A 67 -24.735 -7.662 0.140 1.00 0.00 H new ATOM 1087 N MET A 68 -21.521 -4.955 -4.047 1.00 0.00 N ATOM 1088 CA MET A 68 -21.831 -3.556 -4.316 1.00 0.00 C ATOM 1089 C MET A 68 -21.206 -2.648 -3.261 1.00 0.00 C ATOM 1090 O MET A 68 -20.437 -1.744 -3.584 1.00 0.00 O ATOM 1091 CB MET A 68 -23.345 -3.345 -4.356 1.00 0.00 C ATOM 1092 CG MET A 68 -24.016 -3.977 -5.565 1.00 0.00 C ATOM 1093 SD MET A 68 -23.251 -3.483 -7.121 1.00 0.00 S ATOM 1094 CE MET A 68 -24.691 -2.978 -8.060 1.00 0.00 C ATOM 0 H MET A 68 -22.331 -5.529 -3.813 1.00 0.00 H new ATOM 0 HA MET A 68 -21.410 -3.297 -5.288 1.00 0.00 H new ATOM 0 HB2 MET A 68 -23.785 -3.759 -3.449 1.00 0.00 H new ATOM 0 HB3 MET A 68 -23.555 -2.275 -4.352 1.00 0.00 H new ATOM 0 HG2 MET A 68 -23.975 -5.062 -5.473 1.00 0.00 H new ATOM 0 HG3 MET A 68 -25.070 -3.698 -5.578 1.00 0.00 H new ATOM 0 HE1 MET A 68 -24.381 -2.644 -9.050 1.00 0.00 H new ATOM 0 HE2 MET A 68 -25.375 -3.821 -8.159 1.00 0.00 H new ATOM 0 HE3 MET A 68 -25.194 -2.161 -7.543 1.00 0.00 H new ATOM 1104 N SER A 69 -21.543 -2.896 -2.000 1.00 0.00 N ATOM 1105 CA SER A 69 -21.018 -2.098 -0.898 1.00 0.00 C ATOM 1106 C SER A 69 -19.755 -2.731 -0.322 1.00 0.00 C ATOM 1107 O SER A 69 -19.716 -3.931 -0.054 1.00 0.00 O ATOM 1108 CB SER A 69 -22.074 -1.949 0.200 1.00 0.00 C ATOM 1109 OG SER A 69 -21.791 -0.837 1.032 1.00 0.00 O ATOM 0 H SER A 69 -22.177 -3.643 -1.716 1.00 0.00 H new ATOM 0 HA SER A 69 -20.765 -1.111 -1.285 1.00 0.00 H new ATOM 0 HB2 SER A 69 -23.058 -1.828 -0.252 1.00 0.00 H new ATOM 0 HB3 SER A 69 -22.109 -2.858 0.801 1.00 0.00 H new ATOM 0 HG SER A 69 -22.481 -0.762 1.724 1.00 0.00 H new ATOM 1115 N ASN A 70 -18.724 -1.914 -0.134 1.00 0.00 N ATOM 1116 CA ASN A 70 -17.458 -2.392 0.409 1.00 0.00 C ATOM 1117 C ASN A 70 -16.677 -1.252 1.055 1.00 0.00 C ATOM 1118 O ASN A 70 -16.752 -0.105 0.613 1.00 0.00 O ATOM 1119 CB ASN A 70 -16.618 -3.040 -0.694 1.00 0.00 C ATOM 1120 CG ASN A 70 -16.991 -4.492 -0.927 1.00 0.00 C ATOM 1121 OD1 ASN A 70 -17.368 -4.877 -2.033 1.00 0.00 O ATOM 1122 ND2 ASN A 70 -16.886 -5.304 0.118 1.00 0.00 N ATOM 0 H ASN A 70 -18.740 -0.917 -0.350 1.00 0.00 H new ATOM 0 HA ASN A 70 -17.678 -3.137 1.174 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -16.747 -2.481 -1.621 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -15.563 -2.977 -0.428 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -17.122 -6.292 0.022 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -16.569 -4.940 1.017 1.00 0.00 H new ATOM 1129 N LYS A 71 -15.928 -1.575 2.103 1.00 0.00 N ATOM 1130 CA LYS A 71 -15.130 -0.580 2.810 1.00 0.00 C ATOM 1131 C LYS A 71 -14.245 0.197 1.841 1.00 0.00 C ATOM 1132 O LYS A 71 -14.300 -0.015 0.629 1.00 0.00 O ATOM 1133 CB LYS A 71 -14.267 -1.253 3.879 1.00 0.00 C ATOM 1134 CG LYS A 71 -14.978 -1.441 5.207 1.00 0.00 C ATOM 1135 CD LYS A 71 -13.995 -1.486 6.365 1.00 0.00 C ATOM 1136 CE LYS A 71 -13.397 -2.874 6.534 1.00 0.00 C ATOM 1137 NZ LYS A 71 -14.250 -3.744 7.391 1.00 0.00 N ATOM 0 H LYS A 71 -15.857 -2.519 2.482 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.812 0.120 3.292 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.941 -2.226 3.511 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.370 -0.655 4.039 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -15.685 -0.626 5.361 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.556 -2.365 5.183 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.197 -0.763 6.195 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.501 -1.192 7.285 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.273 -3.338 5.555 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.404 -2.791 6.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.809 -4.681 7.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.348 -3.314 8.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.190 -3.845 6.957 1.00 0.00 H new ATOM 1151 N HIS A 72 -13.428 1.095 2.382 1.00 0.00 N ATOM 1152 CA HIS A 72 -12.529 1.902 1.564 1.00 0.00 C ATOM 1153 C HIS A 72 -11.144 1.267 1.493 1.00 0.00 C ATOM 1154 O HIS A 72 -10.352 1.373 2.430 1.00 0.00 O ATOM 1155 CB HIS A 72 -12.426 3.319 2.129 1.00 0.00 C ATOM 1156 CG HIS A 72 -13.699 3.813 2.744 1.00 0.00 C ATOM 1157 ND1 HIS A 72 -14.801 4.180 2.001 1.00 0.00 N ATOM 1158 CD2 HIS A 72 -14.042 3.999 4.040 1.00 0.00 C ATOM 1159 CE1 HIS A 72 -15.766 4.571 2.814 1.00 0.00 C ATOM 1160 NE2 HIS A 72 -15.331 4.471 4.057 1.00 0.00 N ATOM 0 H HIS A 72 -13.370 1.282 3.383 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.939 1.951 0.555 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.636 3.346 2.879 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -12.130 3.999 1.330 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -13.418 3.811 4.901 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -16.745 4.914 2.513 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -15.866 4.706 4.893 1.00 0.00 H new ATOM 1169 N VAL A 73 -10.857 0.607 0.375 1.00 0.00 N ATOM 1170 CA VAL A 73 -9.567 -0.044 0.182 1.00 0.00 C ATOM 1171 C VAL A 73 -9.094 0.092 -1.261 1.00 0.00 C ATOM 1172 O VAL A 73 -9.871 -0.084 -2.200 1.00 0.00 O ATOM 1173 CB VAL A 73 -9.632 -1.538 0.551 1.00 0.00 C ATOM 1174 CG1 VAL A 73 -10.943 -2.148 0.080 1.00 0.00 C ATOM 1175 CG2 VAL A 73 -8.445 -2.284 -0.040 1.00 0.00 C ATOM 0 H VAL A 73 -11.501 0.509 -0.410 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.858 0.455 0.842 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.586 -1.629 1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -10.971 -3.204 0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.776 -1.630 0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.023 -2.048 -1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.507 -3.338 0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.458 -2.186 -1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.519 -1.863 0.351 1.00 0.00 H new ATOM 1185 N PHE A 74 -7.814 0.405 -1.431 1.00 0.00 N ATOM 1186 CA PHE A 74 -7.236 0.565 -2.761 1.00 0.00 C ATOM 1187 C PHE A 74 -6.134 -0.462 -3.002 1.00 0.00 C ATOM 1188 O PHE A 74 -5.485 -0.924 -2.064 1.00 0.00 O ATOM 1189 CB PHE A 74 -6.677 1.979 -2.930 1.00 0.00 C ATOM 1190 CG PHE A 74 -5.599 2.320 -1.941 1.00 0.00 C ATOM 1191 CD1 PHE A 74 -5.921 2.700 -0.648 1.00 0.00 C ATOM 1192 CD2 PHE A 74 -4.263 2.259 -2.304 1.00 0.00 C ATOM 1193 CE1 PHE A 74 -4.931 3.014 0.263 1.00 0.00 C ATOM 1194 CE2 PHE A 74 -3.268 2.572 -1.397 1.00 0.00 C ATOM 1195 CZ PHE A 74 -3.603 2.949 -0.111 1.00 0.00 C ATOM 0 H PHE A 74 -7.157 0.553 -0.665 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.025 0.404 -3.495 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.280 2.086 -3.939 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.491 2.697 -2.830 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.958 2.751 -0.349 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.996 1.963 -3.308 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.195 3.310 1.267 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.231 2.522 -1.693 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.828 3.192 0.601 1.00 0.00 H new ATOM 1205 N ALA A 75 -5.929 -0.815 -4.267 1.00 0.00 N ATOM 1206 CA ALA A 75 -4.905 -1.786 -4.633 1.00 0.00 C ATOM 1207 C ALA A 75 -3.787 -1.129 -5.435 1.00 0.00 C ATOM 1208 O ALA A 75 -4.042 -0.297 -6.306 1.00 0.00 O ATOM 1209 CB ALA A 75 -5.522 -2.931 -5.423 1.00 0.00 C ATOM 0 H ALA A 75 -6.459 -0.443 -5.055 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.472 -2.184 -3.715 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.746 -3.649 -5.690 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.280 -3.425 -4.815 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.982 -2.540 -6.330 1.00 0.00 H new ATOM 1215 N ILE A 76 -2.549 -1.507 -5.135 1.00 0.00 N ATOM 1216 CA ILE A 76 -1.393 -0.954 -5.829 1.00 0.00 C ATOM 1217 C ILE A 76 -0.681 -2.024 -6.650 1.00 0.00 C ATOM 1218 O ILE A 76 -0.204 -3.022 -6.109 1.00 0.00 O ATOM 1219 CB ILE A 76 -0.389 -0.329 -4.842 1.00 0.00 C ATOM 1220 CG1 ILE A 76 -1.064 0.777 -4.027 1.00 0.00 C ATOM 1221 CG2 ILE A 76 0.818 0.217 -5.589 1.00 0.00 C ATOM 1222 CD1 ILE A 76 -0.222 1.278 -2.875 1.00 0.00 C ATOM 0 H ILE A 76 -2.321 -2.194 -4.416 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.768 -0.177 -6.495 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.046 -1.103 -4.155 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.297 1.613 -4.687 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.012 0.404 -3.639 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.518 0.655 -4.878 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.309 -0.593 -6.129 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.493 0.980 -6.296 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.763 2.060 -2.342 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.011 0.454 -2.193 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.715 1.682 -3.258 1.00 0.00 H new ATOM 1234 N PHE A 77 -0.612 -1.808 -7.960 1.00 0.00 N ATOM 1235 CA PHE A 77 0.042 -2.754 -8.857 1.00 0.00 C ATOM 1236 C PHE A 77 1.247 -2.112 -9.538 1.00 0.00 C ATOM 1237 O PHE A 77 1.319 -0.891 -9.675 1.00 0.00 O ATOM 1238 CB PHE A 77 -0.946 -3.257 -9.911 1.00 0.00 C ATOM 1239 CG PHE A 77 -1.330 -2.213 -10.920 1.00 0.00 C ATOM 1240 CD1 PHE A 77 -0.597 -2.053 -12.084 1.00 0.00 C ATOM 1241 CD2 PHE A 77 -2.425 -1.392 -10.704 1.00 0.00 C ATOM 1242 CE1 PHE A 77 -0.948 -1.092 -13.014 1.00 0.00 C ATOM 1243 CE2 PHE A 77 -2.781 -0.429 -11.630 1.00 0.00 C ATOM 1244 CZ PHE A 77 -2.042 -0.280 -12.787 1.00 0.00 C ATOM 0 H PHE A 77 -1.001 -0.987 -8.424 1.00 0.00 H new ATOM 0 HA PHE A 77 0.390 -3.599 -8.263 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.508 -4.109 -10.431 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.846 -3.616 -9.412 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.259 -2.686 -12.267 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.007 -1.506 -9.802 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.367 -0.976 -13.917 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -3.636 0.206 -11.449 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.319 0.470 -13.513 1.00 0.00 H new ATOM 1254 N ASN A 78 2.192 -2.944 -9.964 1.00 0.00 N ATOM 1255 CA ASN A 78 3.394 -2.459 -10.631 1.00 0.00 C ATOM 1256 C ASN A 78 3.225 -2.487 -12.147 1.00 0.00 C ATOM 1257 O ASN A 78 3.102 -3.554 -12.750 1.00 0.00 O ATOM 1258 CB ASN A 78 4.604 -3.304 -10.226 1.00 0.00 C ATOM 1259 CG ASN A 78 5.912 -2.555 -10.384 1.00 0.00 C ATOM 1260 OD1 ASN A 78 6.510 -2.114 -9.402 1.00 0.00 O ATOM 1261 ND2 ASN A 78 6.363 -2.407 -11.624 1.00 0.00 N ATOM 0 H ASN A 78 2.148 -3.958 -9.859 1.00 0.00 H new ATOM 0 HA ASN A 78 3.559 -1.427 -10.321 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.492 -3.619 -9.189 1.00 0.00 H new ATOM 0 HB3 ASN A 78 4.631 -4.209 -10.833 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.238 -1.911 -11.793 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.834 -2.789 -12.408 1.00 0.00 H new ATOM 1268 N THR A 79 3.220 -1.307 -12.759 1.00 0.00 N ATOM 1269 CA THR A 79 3.066 -1.195 -14.203 1.00 0.00 C ATOM 1270 C THR A 79 4.090 -2.056 -14.934 1.00 0.00 C ATOM 1271 O THR A 79 4.946 -2.682 -14.310 1.00 0.00 O ATOM 1272 CB THR A 79 3.211 0.265 -14.673 1.00 0.00 C ATOM 1273 OG1 THR A 79 4.494 0.776 -14.294 1.00 0.00 O ATOM 1274 CG2 THR A 79 2.116 1.136 -14.077 1.00 0.00 C ATOM 0 H THR A 79 3.321 -0.415 -12.276 1.00 0.00 H new ATOM 0 HA THR A 79 2.062 -1.547 -14.441 1.00 0.00 H new ATOM 0 HB THR A 79 3.119 0.285 -15.759 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.656 0.583 -13.347 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.239 2.162 -14.423 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.142 0.761 -14.391 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.182 1.109 -12.989 1.00 0.00 H new ATOM 1282 N GLU A 80 3.996 -2.083 -16.260 1.00 0.00 N ATOM 1283 CA GLU A 80 4.915 -2.868 -17.075 1.00 0.00 C ATOM 1284 C GLU A 80 4.754 -4.359 -16.793 1.00 0.00 C ATOM 1285 O GLU A 80 5.737 -5.092 -16.692 1.00 0.00 O ATOM 1286 CB GLU A 80 6.360 -2.442 -16.807 1.00 0.00 C ATOM 1287 CG GLU A 80 6.530 -0.941 -16.636 1.00 0.00 C ATOM 1288 CD GLU A 80 6.707 -0.219 -17.957 1.00 0.00 C ATOM 1289 OE1 GLU A 80 6.234 -0.744 -18.987 1.00 0.00 O ATOM 1290 OE2 GLU A 80 7.319 0.870 -17.962 1.00 0.00 O ATOM 0 H GLU A 80 3.293 -1.570 -16.792 1.00 0.00 H new ATOM 0 HA GLU A 80 4.677 -2.685 -18.123 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.717 -2.944 -15.908 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.988 -2.779 -17.632 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.659 -0.537 -16.120 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.395 -0.747 -16.002 1.00 0.00 H new ATOM 1297 N GLN A 81 3.506 -4.800 -16.668 1.00 0.00 N ATOM 1298 CA GLN A 81 3.216 -6.203 -16.397 1.00 0.00 C ATOM 1299 C GLN A 81 4.148 -6.755 -15.324 1.00 0.00 C ATOM 1300 O GLN A 81 4.808 -7.775 -15.525 1.00 0.00 O ATOM 1301 CB GLN A 81 3.347 -7.029 -17.677 1.00 0.00 C ATOM 1302 CG GLN A 81 2.428 -6.567 -18.797 1.00 0.00 C ATOM 1303 CD GLN A 81 2.996 -5.394 -19.571 1.00 0.00 C ATOM 1304 OE1 GLN A 81 2.413 -4.309 -19.592 1.00 0.00 O ATOM 1305 NE2 GLN A 81 4.139 -5.605 -20.212 1.00 0.00 N ATOM 0 H GLN A 81 2.681 -4.206 -16.750 1.00 0.00 H new ATOM 0 HA GLN A 81 2.191 -6.272 -16.032 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.379 -6.985 -18.024 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.132 -8.073 -17.449 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.250 -7.397 -19.481 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.462 -6.287 -18.377 1.00 0.00 H new ATOM 0 HE21 GLN A 81 4.587 -6.520 -20.167 1.00 0.00 H new ATOM 0 HE22 GLN A 81 4.569 -4.852 -20.749 1.00 0.00 H new ATOM 1314 N ARG A 82 4.199 -6.074 -14.183 1.00 0.00 N ATOM 1315 CA ARG A 82 5.052 -6.495 -13.079 1.00 0.00 C ATOM 1316 C ARG A 82 4.247 -6.626 -11.789 1.00 0.00 C ATOM 1317 O ARG A 82 3.076 -6.253 -11.736 1.00 0.00 O ATOM 1318 CB ARG A 82 6.195 -5.498 -12.880 1.00 0.00 C ATOM 1319 CG ARG A 82 7.429 -5.812 -13.710 1.00 0.00 C ATOM 1320 CD ARG A 82 8.277 -6.893 -13.058 1.00 0.00 C ATOM 1321 NE ARG A 82 7.855 -8.234 -13.454 1.00 0.00 N ATOM 1322 CZ ARG A 82 7.904 -8.681 -14.704 1.00 0.00 C ATOM 1323 NH1 ARG A 82 8.356 -7.898 -15.674 1.00 0.00 N ATOM 1324 NH2 ARG A 82 7.501 -9.913 -14.986 1.00 0.00 N ATOM 0 H ARG A 82 3.659 -5.228 -14.000 1.00 0.00 H new ATOM 0 HA ARG A 82 5.469 -7.471 -13.328 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.842 -4.498 -13.133 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.471 -5.481 -11.826 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.127 -6.136 -14.706 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.024 -4.908 -13.836 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.322 -6.747 -13.330 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.214 -6.799 -11.974 1.00 0.00 H new ATOM 0 HE ARG A 82 7.503 -8.862 -12.731 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.667 -6.950 -15.461 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.393 -8.244 -16.633 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.153 -10.518 -14.243 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.539 -10.255 -15.946 1.00 0.00 H new ATOM 1338 N ASN A 83 4.884 -7.160 -10.752 1.00 0.00 N ATOM 1339 CA ASN A 83 4.227 -7.342 -9.463 1.00 0.00 C ATOM 1340 C ASN A 83 4.722 -6.314 -8.450 1.00 0.00 C ATOM 1341 O ASN A 83 5.672 -5.575 -8.713 1.00 0.00 O ATOM 1342 CB ASN A 83 4.476 -8.756 -8.935 1.00 0.00 C ATOM 1343 CG ASN A 83 5.869 -9.258 -9.262 1.00 0.00 C ATOM 1344 OD1 ASN A 83 6.044 -10.118 -10.126 1.00 0.00 O ATOM 1345 ND2 ASN A 83 6.869 -8.722 -8.571 1.00 0.00 N ATOM 0 H ASN A 83 5.854 -7.474 -10.779 1.00 0.00 H new ATOM 0 HA ASN A 83 3.156 -7.198 -9.606 1.00 0.00 H new ATOM 0 HB2 ASN A 83 4.333 -8.768 -7.855 1.00 0.00 H new ATOM 0 HB3 ASN A 83 3.738 -9.435 -9.362 1.00 0.00 H new ATOM 0 HD21 ASN A 83 7.828 -9.020 -8.747 1.00 0.00 H new ATOM 0 HD22 ASN A 83 6.678 -8.012 -7.864 1.00 0.00 H new ATOM 1352 N VAL A 84 4.073 -6.272 -7.291 1.00 0.00 N ATOM 1353 CA VAL A 84 4.448 -5.337 -6.237 1.00 0.00 C ATOM 1354 C VAL A 84 4.816 -6.073 -4.954 1.00 0.00 C ATOM 1355 O VAL A 84 5.300 -5.469 -3.997 1.00 0.00 O ATOM 1356 CB VAL A 84 3.310 -4.343 -5.938 1.00 0.00 C ATOM 1357 CG1 VAL A 84 2.994 -3.506 -7.168 1.00 0.00 C ATOM 1358 CG2 VAL A 84 2.072 -5.082 -5.453 1.00 0.00 C ATOM 0 H VAL A 84 3.284 -6.875 -7.058 1.00 0.00 H new ATOM 0 HA VAL A 84 5.317 -4.786 -6.597 1.00 0.00 H new ATOM 0 HB VAL A 84 3.638 -3.670 -5.146 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.188 -2.810 -6.937 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.881 -2.947 -7.466 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.686 -4.160 -7.984 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.278 -4.365 -5.246 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.740 -5.779 -6.222 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.310 -5.632 -4.543 1.00 0.00 H new ATOM 1368 N TYR A 85 4.584 -7.381 -4.942 1.00 0.00 N ATOM 1369 CA TYR A 85 4.889 -8.200 -3.775 1.00 0.00 C ATOM 1370 C TYR A 85 5.446 -9.557 -4.193 1.00 0.00 C ATOM 1371 O TYR A 85 5.649 -9.821 -5.379 1.00 0.00 O ATOM 1372 CB TYR A 85 3.636 -8.392 -2.919 1.00 0.00 C ATOM 1373 CG TYR A 85 3.935 -8.678 -1.464 1.00 0.00 C ATOM 1374 CD1 TYR A 85 4.456 -7.692 -0.635 1.00 0.00 C ATOM 1375 CD2 TYR A 85 3.697 -9.934 -0.919 1.00 0.00 C ATOM 1376 CE1 TYR A 85 4.731 -7.949 0.694 1.00 0.00 C ATOM 1377 CE2 TYR A 85 3.968 -10.199 0.409 1.00 0.00 C ATOM 1378 CZ TYR A 85 4.485 -9.203 1.212 1.00 0.00 C ATOM 1379 OH TYR A 85 4.758 -9.464 2.535 1.00 0.00 O ATOM 0 H TYR A 85 4.186 -7.897 -5.727 1.00 0.00 H new ATOM 0 HA TYR A 85 5.647 -7.682 -3.187 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.020 -7.495 -2.985 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.048 -9.213 -3.329 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.649 -6.708 -1.037 1.00 0.00 H new ATOM 0 HD2 TYR A 85 3.293 -10.716 -1.545 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.137 -7.172 1.324 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.776 -11.180 0.817 1.00 0.00 H new ATOM 0 HH TYR A 85 4.526 -10.394 2.740 1.00 0.00 H new ATOM 1389 N LYS A 86 5.692 -10.417 -3.210 1.00 0.00 N ATOM 1390 CA LYS A 86 6.223 -11.749 -3.473 1.00 0.00 C ATOM 1391 C LYS A 86 5.426 -12.447 -4.570 1.00 0.00 C ATOM 1392 O LYS A 86 5.937 -12.689 -5.664 1.00 0.00 O ATOM 1393 CB LYS A 86 6.198 -12.592 -2.196 1.00 0.00 C ATOM 1394 CG LYS A 86 6.824 -11.899 -0.998 1.00 0.00 C ATOM 1395 CD LYS A 86 8.202 -11.351 -1.327 1.00 0.00 C ATOM 1396 CE LYS A 86 9.051 -11.188 -0.076 1.00 0.00 C ATOM 1397 NZ LYS A 86 10.507 -11.250 -0.381 1.00 0.00 N ATOM 0 H LYS A 86 5.532 -10.215 -2.223 1.00 0.00 H new ATOM 0 HA LYS A 86 7.254 -11.641 -3.810 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.165 -12.847 -1.959 1.00 0.00 H new ATOM 0 HB3 LYS A 86 6.724 -13.529 -2.379 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.177 -11.086 -0.668 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.900 -12.602 -0.169 1.00 0.00 H new ATOM 0 HD2 LYS A 86 8.704 -12.022 -2.024 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.102 -10.388 -1.828 1.00 0.00 H new ATOM 0 HE2 LYS A 86 8.820 -10.234 0.398 1.00 0.00 H new ATOM 0 HE3 LYS A 86 8.796 -11.970 0.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.051 -11.135 0.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.733 -12.170 -0.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.755 -10.488 -1.044 1.00 0.00 H new ATOM 1411 N ASP A 87 4.171 -12.765 -4.272 1.00 0.00 N ATOM 1412 CA ASP A 87 3.302 -13.432 -5.234 1.00 0.00 C ATOM 1413 C ASP A 87 1.945 -12.740 -5.313 1.00 0.00 C ATOM 1414 O ASP A 87 0.910 -13.392 -5.453 1.00 0.00 O ATOM 1415 CB ASP A 87 3.117 -14.902 -4.853 1.00 0.00 C ATOM 1416 CG ASP A 87 2.948 -15.096 -3.359 1.00 0.00 C ATOM 1417 OD1 ASP A 87 2.198 -14.312 -2.740 1.00 0.00 O ATOM 1418 OD2 ASP A 87 3.566 -16.031 -2.808 1.00 0.00 O ATOM 0 H ASP A 87 3.733 -12.571 -3.371 1.00 0.00 H new ATOM 0 HA ASP A 87 3.776 -13.375 -6.214 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.244 -15.301 -5.369 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.979 -15.474 -5.196 1.00 0.00 H new ATOM 1423 N LEU A 88 1.957 -11.414 -5.220 1.00 0.00 N ATOM 1424 CA LEU A 88 0.727 -10.632 -5.280 1.00 0.00 C ATOM 1425 C LEU A 88 0.823 -9.548 -6.349 1.00 0.00 C ATOM 1426 O LEU A 88 1.624 -8.621 -6.237 1.00 0.00 O ATOM 1427 CB LEU A 88 0.437 -9.997 -3.919 1.00 0.00 C ATOM 1428 CG LEU A 88 0.601 -10.911 -2.703 1.00 0.00 C ATOM 1429 CD1 LEU A 88 0.478 -10.112 -1.415 1.00 0.00 C ATOM 1430 CD2 LEU A 88 -0.426 -12.033 -2.738 1.00 0.00 C ATOM 0 H LEU A 88 2.805 -10.859 -5.103 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.090 -11.304 -5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.095 -9.137 -3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.585 -9.617 -3.928 1.00 0.00 H new ATOM 0 HG LEU A 88 1.596 -11.355 -2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.597 -10.778 -0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.252 -9.345 -1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.503 -9.639 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.295 -12.674 -1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.430 -11.608 -2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.290 -12.622 -3.645 1.00 0.00 H new ATOM 1442 N ARG A 89 -0.002 -9.672 -7.384 1.00 0.00 N ATOM 1443 CA ARG A 89 -0.011 -8.702 -8.473 1.00 0.00 C ATOM 1444 C ARG A 89 -0.400 -7.317 -7.964 1.00 0.00 C ATOM 1445 O ARG A 89 0.009 -6.302 -8.527 1.00 0.00 O ATOM 1446 CB ARG A 89 -0.980 -9.145 -9.570 1.00 0.00 C ATOM 1447 CG ARG A 89 -0.395 -10.179 -10.519 1.00 0.00 C ATOM 1448 CD ARG A 89 -1.438 -10.685 -11.503 1.00 0.00 C ATOM 1449 NE ARG A 89 -2.337 -11.661 -10.894 1.00 0.00 N ATOM 1450 CZ ARG A 89 -2.023 -12.939 -10.716 1.00 0.00 C ATOM 1451 NH1 ARG A 89 -0.838 -13.394 -11.100 1.00 0.00 N ATOM 1452 NH2 ARG A 89 -2.896 -13.766 -10.154 1.00 0.00 N ATOM 0 H ARG A 89 -0.672 -10.434 -7.491 1.00 0.00 H new ATOM 0 HA ARG A 89 0.996 -8.648 -8.887 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.877 -9.556 -9.106 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.290 -8.272 -10.144 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.440 -9.741 -11.066 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.003 -11.017 -9.946 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.019 -9.843 -11.880 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.939 -11.137 -12.360 1.00 0.00 H new ATOM 0 HE ARG A 89 -3.257 -11.344 -10.588 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.165 -12.762 -11.533 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.600 -14.376 -10.962 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.809 -13.420 -9.858 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.654 -14.747 -10.018 1.00 0.00 H new ATOM 1466 N GLN A 90 -1.193 -7.285 -6.898 1.00 0.00 N ATOM 1467 CA GLN A 90 -1.638 -6.025 -6.316 1.00 0.00 C ATOM 1468 C GLN A 90 -1.928 -6.186 -4.827 1.00 0.00 C ATOM 1469 O GLN A 90 -2.703 -7.054 -4.426 1.00 0.00 O ATOM 1470 CB GLN A 90 -2.887 -5.517 -7.038 1.00 0.00 C ATOM 1471 CG GLN A 90 -4.079 -6.455 -6.925 1.00 0.00 C ATOM 1472 CD GLN A 90 -5.259 -6.002 -7.762 1.00 0.00 C ATOM 1473 OE1 GLN A 90 -5.088 -5.436 -8.842 1.00 0.00 O ATOM 1474 NE2 GLN A 90 -6.466 -6.251 -7.267 1.00 0.00 N ATOM 0 H GLN A 90 -1.540 -8.117 -6.420 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.836 -5.296 -6.436 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.161 -4.544 -6.631 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.652 -5.367 -8.092 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.780 -7.456 -7.237 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.384 -6.524 -5.881 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.561 -6.723 -6.368 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -7.298 -5.970 -7.786 1.00 0.00 H new ATOM 1483 N ILE A 91 -1.300 -5.344 -4.013 1.00 0.00 N ATOM 1484 CA ILE A 91 -1.492 -5.393 -2.569 1.00 0.00 C ATOM 1485 C ILE A 91 -2.654 -4.505 -2.138 1.00 0.00 C ATOM 1486 O ILE A 91 -2.635 -3.294 -2.353 1.00 0.00 O ATOM 1487 CB ILE A 91 -0.220 -4.956 -1.817 1.00 0.00 C ATOM 1488 CG1 ILE A 91 0.963 -5.840 -2.216 1.00 0.00 C ATOM 1489 CG2 ILE A 91 -0.448 -5.012 -0.314 1.00 0.00 C ATOM 1490 CD1 ILE A 91 2.309 -5.234 -1.882 1.00 0.00 C ATOM 0 H ILE A 91 -0.654 -4.620 -4.329 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.717 -6.429 -2.316 1.00 0.00 H new ATOM 0 HB ILE A 91 0.011 -3.927 -2.091 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.872 -6.803 -1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.916 -6.034 -3.288 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.459 -4.701 0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.267 -4.344 -0.045 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.700 -6.031 -0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.102 -5.915 -2.193 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.420 -4.284 -2.405 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.376 -5.066 -0.807 1.00 0.00 H new ATOM 1502 N GLU A 92 -3.664 -5.116 -1.526 1.00 0.00 N ATOM 1503 CA GLU A 92 -4.834 -4.380 -1.064 1.00 0.00 C ATOM 1504 C GLU A 92 -4.559 -3.706 0.277 1.00 0.00 C ATOM 1505 O GLU A 92 -3.981 -4.310 1.181 1.00 0.00 O ATOM 1506 CB GLU A 92 -6.037 -5.318 -0.938 1.00 0.00 C ATOM 1507 CG GLU A 92 -6.604 -5.764 -2.275 1.00 0.00 C ATOM 1508 CD GLU A 92 -7.708 -6.792 -2.127 1.00 0.00 C ATOM 1509 OE1 GLU A 92 -8.569 -6.616 -1.239 1.00 0.00 O ATOM 1510 OE2 GLU A 92 -7.712 -7.774 -2.899 1.00 0.00 O ATOM 0 H GLU A 92 -3.695 -6.118 -1.339 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.059 -3.608 -1.800 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.742 -6.198 -0.366 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.820 -4.816 -0.370 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -6.990 -4.896 -2.809 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.803 -6.182 -2.884 1.00 0.00 H new ATOM 1517 N LEU A 93 -4.975 -2.450 0.397 1.00 0.00 N ATOM 1518 CA LEU A 93 -4.773 -1.692 1.627 1.00 0.00 C ATOM 1519 C LEU A 93 -6.077 -1.053 2.093 1.00 0.00 C ATOM 1520 O LEU A 93 -6.591 -0.133 1.458 1.00 0.00 O ATOM 1521 CB LEU A 93 -3.710 -0.612 1.415 1.00 0.00 C ATOM 1522 CG LEU A 93 -2.335 -1.103 0.961 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -1.461 0.069 0.541 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -1.663 -1.902 2.068 1.00 0.00 C ATOM 0 H LEU A 93 -5.454 -1.935 -0.342 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.432 -2.383 2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.083 0.096 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.587 -0.063 2.349 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.470 -1.756 0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.487 -0.300 0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.936 0.600 -0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.333 0.748 1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.685 -2.244 1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.541 -1.272 2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.281 -2.764 2.321 1.00 0.00 H new ATOM 1536 N ALA A 94 -6.606 -1.547 3.208 1.00 0.00 N ATOM 1537 CA ALA A 94 -7.848 -1.022 3.762 1.00 0.00 C ATOM 1538 C ALA A 94 -7.571 0.056 4.805 1.00 0.00 C ATOM 1539 O ALA A 94 -6.594 -0.024 5.551 1.00 0.00 O ATOM 1540 CB ALA A 94 -8.672 -2.148 4.370 1.00 0.00 C ATOM 0 H ALA A 94 -6.194 -2.310 3.745 1.00 0.00 H new ATOM 0 HA ALA A 94 -8.416 -0.568 2.950 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.597 -1.742 4.780 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.908 -2.883 3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.102 -2.627 5.166 1.00 0.00 H new ATOM 1546 N CYS A 95 -8.436 1.063 4.851 1.00 0.00 N ATOM 1547 CA CYS A 95 -8.283 2.159 5.801 1.00 0.00 C ATOM 1548 C CYS A 95 -9.434 2.175 6.802 1.00 0.00 C ATOM 1549 O CYS A 95 -10.354 1.360 6.719 1.00 0.00 O ATOM 1550 CB CYS A 95 -8.215 3.497 5.063 1.00 0.00 C ATOM 1551 SG CYS A 95 -6.744 3.696 4.031 1.00 0.00 S ATOM 0 H CYS A 95 -9.250 1.143 4.242 1.00 0.00 H new ATOM 0 HA CYS A 95 -7.352 2.006 6.347 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -9.102 3.600 4.437 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -8.245 4.305 5.794 1.00 0.00 H new ATOM 0 HG CYS A 95 -5.937 4.551 4.586 1.00 0.00 H new ATOM 1557 N ASP A 96 -9.376 3.106 7.748 1.00 0.00 N ATOM 1558 CA ASP A 96 -10.414 3.228 8.765 1.00 0.00 C ATOM 1559 C ASP A 96 -11.623 3.981 8.221 1.00 0.00 C ATOM 1560 O ASP A 96 -12.761 3.704 8.598 1.00 0.00 O ATOM 1561 CB ASP A 96 -9.865 3.943 10.000 1.00 0.00 C ATOM 1562 CG ASP A 96 -10.944 4.249 11.020 1.00 0.00 C ATOM 1563 OD1 ASP A 96 -11.281 3.347 11.816 1.00 0.00 O ATOM 1564 OD2 ASP A 96 -11.452 5.390 11.022 1.00 0.00 O ATOM 0 H ASP A 96 -8.621 3.787 7.832 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.732 2.224 9.047 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.097 3.324 10.463 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.384 4.872 9.694 1.00 0.00 H new ATOM 1569 N SER A 97 -11.368 4.937 7.333 1.00 0.00 N ATOM 1570 CA SER A 97 -12.435 5.734 6.740 1.00 0.00 C ATOM 1571 C SER A 97 -11.947 6.447 5.483 1.00 0.00 C ATOM 1572 O SER A 97 -10.745 6.620 5.283 1.00 0.00 O ATOM 1573 CB SER A 97 -12.957 6.758 7.750 1.00 0.00 C ATOM 1574 OG SER A 97 -12.076 7.863 7.857 1.00 0.00 O ATOM 0 H SER A 97 -10.432 5.178 7.009 1.00 0.00 H new ATOM 0 HA SER A 97 -13.246 5.061 6.463 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.944 7.104 7.444 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.073 6.285 8.725 1.00 0.00 H new ATOM 0 HG SER A 97 -12.424 8.496 8.519 1.00 0.00 H new ATOM 1580 N GLN A 98 -12.889 6.857 4.639 1.00 0.00 N ATOM 1581 CA GLN A 98 -12.554 7.550 3.400 1.00 0.00 C ATOM 1582 C GLN A 98 -11.527 8.648 3.651 1.00 0.00 C ATOM 1583 O GLN A 98 -10.570 8.801 2.892 1.00 0.00 O ATOM 1584 CB GLN A 98 -13.814 8.147 2.770 1.00 0.00 C ATOM 1585 CG GLN A 98 -13.526 9.081 1.605 1.00 0.00 C ATOM 1586 CD GLN A 98 -13.351 8.340 0.294 1.00 0.00 C ATOM 1587 OE1 GLN A 98 -14.267 8.282 -0.527 1.00 0.00 O ATOM 1588 NE2 GLN A 98 -12.170 7.768 0.090 1.00 0.00 N ATOM 0 H GLN A 98 -13.889 6.722 4.790 1.00 0.00 H new ATOM 0 HA GLN A 98 -12.121 6.824 2.712 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -14.457 7.337 2.426 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -14.369 8.692 3.534 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -14.342 9.797 1.507 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -12.623 9.654 1.818 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -11.439 7.841 0.798 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -11.994 7.256 -0.774 1.00 0.00 H new ATOM 1597 N GLU A 99 -11.731 9.410 4.721 1.00 0.00 N ATOM 1598 CA GLU A 99 -10.822 10.495 5.070 1.00 0.00 C ATOM 1599 C GLU A 99 -9.368 10.048 4.945 1.00 0.00 C ATOM 1600 O GLU A 99 -8.577 10.666 4.232 1.00 0.00 O ATOM 1601 CB GLU A 99 -11.096 10.982 6.495 1.00 0.00 C ATOM 1602 CG GLU A 99 -12.485 11.570 6.680 1.00 0.00 C ATOM 1603 CD GLU A 99 -13.515 10.526 7.064 1.00 0.00 C ATOM 1604 OE1 GLU A 99 -14.082 9.889 6.152 1.00 0.00 O ATOM 1605 OE2 GLU A 99 -13.754 10.345 8.277 1.00 0.00 O ATOM 0 H GLU A 99 -12.517 9.296 5.361 1.00 0.00 H new ATOM 0 HA GLU A 99 -10.993 11.316 4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -10.968 10.149 7.186 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -10.354 11.734 6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -12.450 12.340 7.450 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.795 12.058 5.756 1.00 0.00 H new ATOM 1612 N ASP A 100 -9.024 8.972 5.643 1.00 0.00 N ATOM 1613 CA ASP A 100 -7.666 8.441 5.611 1.00 0.00 C ATOM 1614 C ASP A 100 -7.204 8.219 4.174 1.00 0.00 C ATOM 1615 O ASP A 100 -6.132 8.676 3.778 1.00 0.00 O ATOM 1616 CB ASP A 100 -7.590 7.129 6.393 1.00 0.00 C ATOM 1617 CG ASP A 100 -7.464 7.352 7.887 1.00 0.00 C ATOM 1618 OD1 ASP A 100 -6.517 8.052 8.305 1.00 0.00 O ATOM 1619 OD2 ASP A 100 -8.312 6.828 8.638 1.00 0.00 O ATOM 0 H ASP A 100 -9.667 8.450 6.238 1.00 0.00 H new ATOM 0 HA ASP A 100 -7.005 9.171 6.078 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.483 6.537 6.191 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.736 6.549 6.042 1.00 0.00 H new ATOM 1624 N VAL A 101 -8.020 7.513 3.398 1.00 0.00 N ATOM 1625 CA VAL A 101 -7.695 7.230 2.005 1.00 0.00 C ATOM 1626 C VAL A 101 -7.396 8.514 1.238 1.00 0.00 C ATOM 1627 O VAL A 101 -6.312 8.676 0.677 1.00 0.00 O ATOM 1628 CB VAL A 101 -8.843 6.481 1.302 1.00 0.00 C ATOM 1629 CG1 VAL A 101 -8.544 6.316 -0.181 1.00 0.00 C ATOM 1630 CG2 VAL A 101 -9.078 5.130 1.960 1.00 0.00 C ATOM 0 H VAL A 101 -8.911 7.127 3.710 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.807 6.598 2.009 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.754 7.072 1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.366 5.785 -0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.429 7.298 -0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.623 5.747 -0.305 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -9.892 4.614 1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.170 4.530 1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.340 5.276 3.008 1.00 0.00 H new ATOM 1640 N ASP A 102 -8.364 9.424 1.219 1.00 0.00 N ATOM 1641 CA ASP A 102 -8.204 10.695 0.523 1.00 0.00 C ATOM 1642 C ASP A 102 -6.798 11.252 0.723 1.00 0.00 C ATOM 1643 O ASP A 102 -6.196 11.792 -0.205 1.00 0.00 O ATOM 1644 CB ASP A 102 -9.241 11.705 1.017 1.00 0.00 C ATOM 1645 CG ASP A 102 -9.416 12.870 0.062 1.00 0.00 C ATOM 1646 OD1 ASP A 102 -9.672 12.623 -1.135 1.00 0.00 O ATOM 1647 OD2 ASP A 102 -9.297 14.028 0.512 1.00 0.00 O ATOM 0 H ASP A 102 -9.267 9.305 1.678 1.00 0.00 H new ATOM 0 HA ASP A 102 -8.357 10.519 -0.542 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.199 11.202 1.151 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -8.940 12.082 1.994 1.00 0.00 H new ATOM 1652 N SER A 103 -6.282 11.117 1.940 1.00 0.00 N ATOM 1653 CA SER A 103 -4.948 11.611 2.264 1.00 0.00 C ATOM 1654 C SER A 103 -3.874 10.694 1.685 1.00 0.00 C ATOM 1655 O SER A 103 -2.940 11.152 1.027 1.00 0.00 O ATOM 1656 CB SER A 103 -4.777 11.723 3.780 1.00 0.00 C ATOM 1657 OG SER A 103 -3.699 12.582 4.109 1.00 0.00 O ATOM 0 H SER A 103 -6.767 10.670 2.718 1.00 0.00 H new ATOM 0 HA SER A 103 -4.835 12.600 1.819 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.697 12.101 4.226 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.601 10.734 4.203 1.00 0.00 H new ATOM 0 HG SER A 103 -3.611 12.638 5.083 1.00 0.00 H new ATOM 1663 N TRP A 104 -4.015 9.397 1.936 1.00 0.00 N ATOM 1664 CA TRP A 104 -3.057 8.415 1.441 1.00 0.00 C ATOM 1665 C TRP A 104 -2.833 8.581 -0.058 1.00 0.00 C ATOM 1666 O TRP A 104 -1.699 8.534 -0.535 1.00 0.00 O ATOM 1667 CB TRP A 104 -3.548 6.998 1.742 1.00 0.00 C ATOM 1668 CG TRP A 104 -3.082 6.477 3.068 1.00 0.00 C ATOM 1669 CD1 TRP A 104 -3.863 6.145 4.138 1.00 0.00 C ATOM 1670 CD2 TRP A 104 -1.729 6.230 3.465 1.00 0.00 C ATOM 1671 NE1 TRP A 104 -3.077 5.707 5.176 1.00 0.00 N ATOM 1672 CE2 TRP A 104 -1.764 5.749 4.788 1.00 0.00 C ATOM 1673 CE3 TRP A 104 -0.491 6.367 2.830 1.00 0.00 C ATOM 1674 CZ2 TRP A 104 -0.608 5.406 5.486 1.00 0.00 C ATOM 1675 CZ3 TRP A 104 0.654 6.027 3.524 1.00 0.00 C ATOM 1676 CH2 TRP A 104 0.589 5.550 4.840 1.00 0.00 C ATOM 0 H TRP A 104 -4.783 9.001 2.479 1.00 0.00 H new ATOM 0 HA TRP A 104 -2.108 8.580 1.951 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -4.638 6.986 1.718 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -3.204 6.327 0.955 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -4.940 6.216 4.164 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -3.416 5.400 6.088 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -0.431 6.732 1.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -0.655 5.040 6.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 1.616 6.131 3.044 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.502 5.291 5.355 1.00 0.00 H new ATOM 1687 N LYS A 105 -3.920 8.776 -0.796 1.00 0.00 N ATOM 1688 CA LYS A 105 -3.842 8.951 -2.242 1.00 0.00 C ATOM 1689 C LYS A 105 -3.173 10.276 -2.594 1.00 0.00 C ATOM 1690 O LYS A 105 -2.186 10.307 -3.329 1.00 0.00 O ATOM 1691 CB LYS A 105 -5.241 8.894 -2.859 1.00 0.00 C ATOM 1692 CG LYS A 105 -5.853 7.504 -2.851 1.00 0.00 C ATOM 1693 CD LYS A 105 -7.284 7.522 -3.363 1.00 0.00 C ATOM 1694 CE LYS A 105 -7.686 6.173 -3.939 1.00 0.00 C ATOM 1695 NZ LYS A 105 -8.952 6.258 -4.718 1.00 0.00 N ATOM 0 H LYS A 105 -4.866 8.817 -0.417 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.239 8.140 -2.649 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.897 9.574 -2.315 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.191 9.254 -3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.252 6.837 -3.470 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.833 7.102 -1.838 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.959 7.788 -2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.388 8.291 -4.128 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.888 5.800 -4.582 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.805 5.453 -3.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.192 5.319 -5.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.719 6.589 -4.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.830 6.926 -5.506 1.00 0.00 H new ATOM 1709 N ALA A 106 -3.716 11.367 -2.064 1.00 0.00 N ATOM 1710 CA ALA A 106 -3.169 12.694 -2.320 1.00 0.00 C ATOM 1711 C ALA A 106 -1.675 12.740 -2.017 1.00 0.00 C ATOM 1712 O ALA A 106 -0.935 13.524 -2.611 1.00 0.00 O ATOM 1713 CB ALA A 106 -3.909 13.738 -1.498 1.00 0.00 C ATOM 0 H ALA A 106 -4.534 11.358 -1.455 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.305 12.918 -3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -3.490 14.724 -1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -4.965 13.731 -1.767 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -3.803 13.508 -0.438 1.00 0.00 H new ATOM 1719 N SER A 107 -1.238 11.895 -1.088 1.00 0.00 N ATOM 1720 CA SER A 107 0.167 11.843 -0.702 1.00 0.00 C ATOM 1721 C SER A 107 1.002 11.161 -1.782 1.00 0.00 C ATOM 1722 O SER A 107 2.138 11.555 -2.046 1.00 0.00 O ATOM 1723 CB SER A 107 0.326 11.101 0.626 1.00 0.00 C ATOM 1724 OG SER A 107 -0.210 11.855 1.699 1.00 0.00 O ATOM 0 H SER A 107 -1.837 11.237 -0.589 1.00 0.00 H new ATOM 0 HA SER A 107 0.524 12.866 -0.583 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.177 10.136 0.569 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.381 10.900 0.810 1.00 0.00 H new ATOM 0 HG SER A 107 -1.188 11.794 1.685 1.00 0.00 H new ATOM 1730 N PHE A 108 0.429 10.135 -2.404 1.00 0.00 N ATOM 1731 CA PHE A 108 1.120 9.397 -3.455 1.00 0.00 C ATOM 1732 C PHE A 108 1.433 10.304 -4.641 1.00 0.00 C ATOM 1733 O PHE A 108 2.523 10.244 -5.212 1.00 0.00 O ATOM 1734 CB PHE A 108 0.271 8.210 -3.915 1.00 0.00 C ATOM 1735 CG PHE A 108 0.534 6.949 -3.144 1.00 0.00 C ATOM 1736 CD1 PHE A 108 1.713 6.244 -3.325 1.00 0.00 C ATOM 1737 CD2 PHE A 108 -0.396 6.468 -2.237 1.00 0.00 C ATOM 1738 CE1 PHE A 108 1.958 5.082 -2.617 1.00 0.00 C ATOM 1739 CE2 PHE A 108 -0.157 5.308 -1.525 1.00 0.00 C ATOM 1740 CZ PHE A 108 1.023 4.615 -1.715 1.00 0.00 C ATOM 0 H PHE A 108 -0.511 9.796 -2.198 1.00 0.00 H new ATOM 0 HA PHE A 108 2.060 9.026 -3.047 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -0.783 8.470 -3.821 1.00 0.00 H new ATOM 0 HB3 PHE A 108 0.461 8.026 -4.972 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.449 6.606 -4.027 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -1.320 7.006 -2.084 1.00 0.00 H new ATOM 0 HE1 PHE A 108 2.880 4.540 -2.769 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.891 4.944 -0.821 1.00 0.00 H new ATOM 0 HZ PHE A 108 1.214 3.709 -1.159 1.00 0.00 H new ATOM 1750 N LEU A 109 0.470 11.142 -5.008 1.00 0.00 N ATOM 1751 CA LEU A 109 0.641 12.062 -6.127 1.00 0.00 C ATOM 1752 C LEU A 109 1.897 12.909 -5.948 1.00 0.00 C ATOM 1753 O LEU A 109 2.647 13.133 -6.898 1.00 0.00 O ATOM 1754 CB LEU A 109 -0.584 12.968 -6.260 1.00 0.00 C ATOM 1755 CG LEU A 109 -1.716 12.439 -7.142 1.00 0.00 C ATOM 1756 CD1 LEU A 109 -2.713 11.645 -6.312 1.00 0.00 C ATOM 1757 CD2 LEU A 109 -2.412 13.586 -7.861 1.00 0.00 C ATOM 0 H LEU A 109 -0.438 11.203 -4.547 1.00 0.00 H new ATOM 0 HA LEU A 109 0.749 11.472 -7.037 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.983 13.154 -5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.259 13.929 -6.658 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.287 11.774 -7.891 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.511 11.277 -6.956 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.206 10.801 -5.844 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.137 12.287 -5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.215 13.191 -8.484 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.828 14.276 -7.127 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.692 14.113 -8.487 1.00 0.00 H new ATOM 1769 N ARG A 110 2.120 13.376 -4.724 1.00 0.00 N ATOM 1770 CA ARG A 110 3.285 14.198 -4.420 1.00 0.00 C ATOM 1771 C ARG A 110 4.568 13.517 -4.889 1.00 0.00 C ATOM 1772 O ARG A 110 5.470 14.167 -5.417 1.00 0.00 O ATOM 1773 CB ARG A 110 3.362 14.475 -2.917 1.00 0.00 C ATOM 1774 CG ARG A 110 2.603 15.720 -2.488 1.00 0.00 C ATOM 1775 CD ARG A 110 3.258 16.386 -1.288 1.00 0.00 C ATOM 1776 NE ARG A 110 4.247 17.383 -1.687 1.00 0.00 N ATOM 1777 CZ ARG A 110 5.124 17.925 -0.850 1.00 0.00 C ATOM 1778 NH1 ARG A 110 5.135 17.567 0.427 1.00 0.00 N ATOM 1779 NH2 ARG A 110 5.993 18.827 -1.289 1.00 0.00 N ATOM 0 H ARG A 110 1.509 13.199 -3.927 1.00 0.00 H new ATOM 0 HA ARG A 110 3.180 15.144 -4.952 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.967 13.615 -2.377 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.408 14.580 -2.628 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.560 16.425 -3.318 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.575 15.454 -2.242 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.492 16.861 -0.674 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.737 15.627 -0.669 1.00 0.00 H new ATOM 0 HE ARG A 110 4.265 17.680 -2.663 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.469 16.874 0.768 1.00 0.00 H new ATOM 0 HH12 ARG A 110 5.810 17.985 1.068 1.00 0.00 H new ATOM 0 HH21 ARG A 110 5.988 19.105 -2.270 1.00 0.00 H new ATOM 0 HH22 ARG A 110 6.666 19.242 -0.645 1.00 0.00 H new ATOM 1793 N ALA A 111 4.641 12.205 -4.691 1.00 0.00 N ATOM 1794 CA ALA A 111 5.812 11.436 -5.095 1.00 0.00 C ATOM 1795 C ALA A 111 5.890 11.311 -6.613 1.00 0.00 C ATOM 1796 O ALA A 111 6.977 11.253 -7.185 1.00 0.00 O ATOM 1797 CB ALA A 111 5.786 10.058 -4.450 1.00 0.00 C ATOM 0 H ALA A 111 3.904 11.653 -4.254 1.00 0.00 H new ATOM 0 HA ALA A 111 6.701 11.968 -4.755 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.666 9.494 -4.760 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.787 10.164 -3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 111 4.887 9.527 -4.762 1.00 0.00 H new ATOM 1803 N GLY A 112 4.729 11.269 -7.259 1.00 0.00 N ATOM 1804 CA GLY A 112 4.688 11.150 -8.705 1.00 0.00 C ATOM 1805 C GLY A 112 3.892 9.945 -9.165 1.00 0.00 C ATOM 1806 O GLY A 112 4.242 9.302 -10.155 1.00 0.00 O ATOM 0 H GLY A 112 3.816 11.315 -6.807 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.250 12.054 -9.129 1.00 0.00 H new ATOM 0 HA3 GLY A 112 5.705 11.078 -9.090 1.00 0.00 H new ATOM 1810 N VAL A 113 2.819 9.636 -8.445 1.00 0.00 N ATOM 1811 CA VAL A 113 1.971 8.500 -8.785 1.00 0.00 C ATOM 1812 C VAL A 113 0.686 8.957 -9.467 1.00 0.00 C ATOM 1813 O VAL A 113 0.062 8.199 -10.209 1.00 0.00 O ATOM 1814 CB VAL A 113 1.609 7.675 -7.535 1.00 0.00 C ATOM 1815 CG1 VAL A 113 0.627 6.570 -7.889 1.00 0.00 C ATOM 1816 CG2 VAL A 113 2.864 7.100 -6.895 1.00 0.00 C ATOM 0 H VAL A 113 2.516 10.157 -7.622 1.00 0.00 H new ATOM 0 HA VAL A 113 2.541 7.875 -9.472 1.00 0.00 H new ATOM 0 HB VAL A 113 1.129 8.335 -6.812 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.384 5.999 -6.993 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.283 7.009 -8.298 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.075 5.909 -8.630 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.590 6.520 -6.014 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.374 6.454 -7.610 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.528 7.913 -6.602 1.00 0.00 H new TER 1826 VAL A 113