USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 827 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 20 HIS : no HE2:sc= -11.3! C(o=-11!,f=-15!) USER MOD Set 1.2: A 83 TYR OH : rot -14:sc= 0.822 USER MOD Set 2.1: A 58 ASN : amide:sc=-0.00816 X(o=-0.0082,f=-0.27) USER MOD Set 2.2: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 37 GLN : amide:sc= -4.88! C(o=-5.7!,f=-6!) USER MOD Set 3.2: A 46 LYS NZ :NH3+ 148:sc= -0.819 (180deg=-1.39) USER MOD Single : A 1 GLY N :NH3+ -142:sc= 0.0727 (180deg=0) USER MOD Single : A 2 SER OG : rot 45:sc= 0.586 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 20:sc= 0.657 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.541 X(o=-0.54,f=-0.54) USER MOD Single : A 14 TYR OH : rot 150:sc=-0.00204 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.113 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= -3.28! (180deg=-3.58!) USER MOD Single : A 38 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.147) USER MOD Single : A 42 ASN : amide:sc= -0.214 K(o=-0.21,f=-2.4!) USER MOD Single : A 43 GLN : amide:sc= -0.0012 X(o=-0.0012,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -166:sc=-0.00514 (180deg=-0.167) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot -62:sc= 1.19 USER MOD Single : A 54 GLN : amide:sc= -0.12 K(o=-0.12,f=-1.7!) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 60 ASN : amide:sc= -1.05 K(o=-1.1,f=-0.47) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.443 USER MOD Single : A 67 THR OG1 : rot 19:sc= 0.266 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc=-5.16e-05 X(o=-5.2e-05,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.671 26.996 10.294 1.00 0.00 N ATOM 2 CA GLY A 1 5.013 25.633 10.657 1.00 0.00 C ATOM 3 C GLY A 1 6.485 25.473 10.982 1.00 0.00 C ATOM 4 O GLY A 1 7.221 26.456 11.066 1.00 0.00 O ATOM 0 H1 GLY A 1 3.739 27.236 10.687 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.386 27.647 10.676 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.643 27.083 9.258 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.418 25.329 11.519 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.750 24.965 9.837 1.00 0.00 H new ATOM 8 N SER A 2 6.916 24.229 11.167 1.00 0.00 N ATOM 9 CA SER A 2 8.309 23.943 11.490 1.00 0.00 C ATOM 10 C SER A 2 9.083 23.531 10.242 1.00 0.00 C ATOM 11 O SER A 2 9.128 22.353 9.887 1.00 0.00 O ATOM 12 CB SER A 2 8.394 22.837 12.545 1.00 0.00 C ATOM 13 OG SER A 2 7.706 21.674 12.119 1.00 0.00 O ATOM 0 H SER A 2 6.321 23.404 11.099 1.00 0.00 H new ATOM 0 HA SER A 2 8.757 24.853 11.890 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.439 22.595 12.740 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.969 23.192 13.484 1.00 0.00 H new ATOM 0 HG SER A 2 7.928 21.487 11.183 1.00 0.00 H new ATOM 19 N SER A 3 9.691 24.510 9.580 1.00 0.00 N ATOM 20 CA SER A 3 10.460 24.251 8.368 1.00 0.00 C ATOM 21 C SER A 3 11.318 23.000 8.527 1.00 0.00 C ATOM 22 O SER A 3 11.727 22.650 9.633 1.00 0.00 O ATOM 23 CB SER A 3 11.347 25.453 8.035 1.00 0.00 C ATOM 24 OG SER A 3 10.571 26.548 7.579 1.00 0.00 O ATOM 0 H SER A 3 9.666 25.490 9.862 1.00 0.00 H new ATOM 0 HA SER A 3 9.759 24.088 7.550 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.913 25.747 8.919 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.072 25.173 7.271 1.00 0.00 H new ATOM 0 HG SER A 3 11.160 27.304 7.374 1.00 0.00 H new ATOM 30 N GLY A 4 11.586 22.328 7.411 1.00 0.00 N ATOM 31 CA GLY A 4 12.394 21.123 7.446 1.00 0.00 C ATOM 32 C GLY A 4 12.146 20.224 6.251 1.00 0.00 C ATOM 33 O GLY A 4 12.594 20.517 5.142 1.00 0.00 O ATOM 0 H GLY A 4 11.258 22.597 6.483 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.448 21.397 7.478 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.180 20.572 8.362 1.00 0.00 H new ATOM 37 N SER A 5 11.432 19.126 6.476 1.00 0.00 N ATOM 38 CA SER A 5 11.131 18.178 5.410 1.00 0.00 C ATOM 39 C SER A 5 9.878 17.372 5.738 1.00 0.00 C ATOM 40 O SER A 5 9.350 17.449 6.847 1.00 0.00 O ATOM 41 CB SER A 5 12.314 17.235 5.187 1.00 0.00 C ATOM 42 OG SER A 5 13.335 17.866 4.433 1.00 0.00 O ATOM 0 H SER A 5 11.051 18.871 7.387 1.00 0.00 H new ATOM 0 HA SER A 5 10.950 18.743 4.496 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.714 16.914 6.149 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.975 16.338 4.668 1.00 0.00 H new ATOM 0 HG SER A 5 13.226 18.839 4.484 1.00 0.00 H new ATOM 48 N SER A 6 9.407 16.599 4.764 1.00 0.00 N ATOM 49 CA SER A 6 8.214 15.781 4.947 1.00 0.00 C ATOM 50 C SER A 6 8.487 14.630 5.910 1.00 0.00 C ATOM 51 O SER A 6 7.746 14.420 6.870 1.00 0.00 O ATOM 52 CB SER A 6 7.736 15.231 3.601 1.00 0.00 C ATOM 53 OG SER A 6 6.463 14.620 3.723 1.00 0.00 O ATOM 0 H SER A 6 9.833 16.522 3.841 1.00 0.00 H new ATOM 0 HA SER A 6 7.433 16.411 5.373 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.687 16.039 2.871 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.457 14.505 3.225 1.00 0.00 H new ATOM 0 HG SER A 6 6.179 14.278 2.849 1.00 0.00 H new ATOM 59 N GLY A 7 9.557 13.886 5.647 1.00 0.00 N ATOM 60 CA GLY A 7 9.910 12.765 6.499 1.00 0.00 C ATOM 61 C GLY A 7 10.450 11.587 5.712 1.00 0.00 C ATOM 62 O GLY A 7 11.175 11.764 4.732 1.00 0.00 O ATOM 0 H GLY A 7 10.186 14.040 4.859 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.657 13.086 7.226 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.032 12.450 7.062 1.00 0.00 H new ATOM 66 N THR A 8 10.099 10.379 6.143 1.00 0.00 N ATOM 67 CA THR A 8 10.556 9.167 5.475 1.00 0.00 C ATOM 68 C THR A 8 9.430 8.145 5.361 1.00 0.00 C ATOM 69 O THR A 8 8.345 8.339 5.911 1.00 0.00 O ATOM 70 CB THR A 8 11.742 8.527 6.221 1.00 0.00 C ATOM 71 OG1 THR A 8 11.412 8.348 7.603 1.00 0.00 O ATOM 72 CG2 THR A 8 12.987 9.392 6.100 1.00 0.00 C ATOM 0 H THR A 8 9.500 10.214 6.952 1.00 0.00 H new ATOM 0 HA THR A 8 10.881 9.459 4.476 1.00 0.00 H new ATOM 0 HB THR A 8 11.947 7.557 5.768 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.170 7.939 8.070 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.811 8.920 6.635 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.252 9.503 5.049 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.791 10.374 6.530 1.00 0.00 H new ATOM 80 N ILE A 9 9.696 7.057 4.646 1.00 0.00 N ATOM 81 CA ILE A 9 8.705 6.004 4.463 1.00 0.00 C ATOM 82 C ILE A 9 8.719 5.026 5.633 1.00 0.00 C ATOM 83 O ILE A 9 7.668 4.637 6.142 1.00 0.00 O ATOM 84 CB ILE A 9 8.946 5.226 3.156 1.00 0.00 C ATOM 85 CG1 ILE A 9 9.017 6.189 1.969 1.00 0.00 C ATOM 86 CG2 ILE A 9 7.848 4.195 2.943 1.00 0.00 C ATOM 87 CD1 ILE A 9 7.684 6.813 1.616 1.00 0.00 C ATOM 0 H ILE A 9 10.589 6.882 4.184 1.00 0.00 H new ATOM 0 HA ILE A 9 7.732 6.492 4.412 1.00 0.00 H new ATOM 0 HB ILE A 9 9.899 4.703 3.233 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.731 6.981 2.196 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.400 5.654 1.100 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.032 3.653 2.015 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.841 3.494 3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.883 4.698 2.884 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.810 7.484 0.766 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.972 6.029 1.357 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.308 7.376 2.470 1.00 0.00 H new ATOM 99 N SER A 10 9.916 4.635 6.056 1.00 0.00 N ATOM 100 CA SER A 10 10.068 3.701 7.165 1.00 0.00 C ATOM 101 C SER A 10 9.211 4.126 8.354 1.00 0.00 C ATOM 102 O SER A 10 8.451 3.328 8.902 1.00 0.00 O ATOM 103 CB SER A 10 11.536 3.610 7.587 1.00 0.00 C ATOM 104 OG SER A 10 12.351 3.191 6.507 1.00 0.00 O ATOM 0 H SER A 10 10.796 4.951 5.647 1.00 0.00 H new ATOM 0 HA SER A 10 9.733 2.720 6.829 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.875 4.581 7.947 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.637 2.910 8.416 1.00 0.00 H new ATOM 0 HG SER A 10 13.284 3.142 6.801 1.00 0.00 H new ATOM 110 N GLN A 11 9.341 5.389 8.747 1.00 0.00 N ATOM 111 CA GLN A 11 8.579 5.921 9.871 1.00 0.00 C ATOM 112 C GLN A 11 7.091 5.629 9.707 1.00 0.00 C ATOM 113 O GLN A 11 6.373 5.444 10.690 1.00 0.00 O ATOM 114 CB GLN A 11 8.804 7.428 9.999 1.00 0.00 C ATOM 115 CG GLN A 11 10.048 7.792 10.793 1.00 0.00 C ATOM 116 CD GLN A 11 10.130 7.060 12.118 1.00 0.00 C ATOM 117 OE1 GLN A 11 9.165 7.024 12.882 1.00 0.00 O ATOM 118 NE2 GLN A 11 11.287 6.470 12.398 1.00 0.00 N ATOM 0 H GLN A 11 9.966 6.062 8.304 1.00 0.00 H new ATOM 0 HA GLN A 11 8.929 5.430 10.779 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.880 7.862 9.002 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.934 7.878 10.477 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.933 7.562 10.200 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.057 8.867 10.975 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.061 6.525 11.736 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.401 5.962 13.275 1.00 0.00 H new ATOM 127 N ARG A 12 6.635 5.590 8.460 1.00 0.00 N ATOM 128 CA ARG A 12 5.232 5.322 8.168 1.00 0.00 C ATOM 129 C ARG A 12 4.893 3.857 8.426 1.00 0.00 C ATOM 130 O ARG A 12 5.739 2.969 8.314 1.00 0.00 O ATOM 131 CB ARG A 12 4.913 5.682 6.715 1.00 0.00 C ATOM 132 CG ARG A 12 5.332 7.092 6.332 1.00 0.00 C ATOM 133 CD ARG A 12 4.218 8.094 6.593 1.00 0.00 C ATOM 134 NE ARG A 12 4.739 9.421 6.910 1.00 0.00 N ATOM 135 CZ ARG A 12 5.323 9.725 8.063 1.00 0.00 C ATOM 136 NH1 ARG A 12 5.461 8.801 9.004 1.00 0.00 N ATOM 137 NH2 ARG A 12 5.772 10.956 8.277 1.00 0.00 N ATOM 0 H ARG A 12 7.216 5.741 7.635 1.00 0.00 H new ATOM 0 HA ARG A 12 4.625 5.940 8.830 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.412 4.972 6.055 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.841 5.573 6.549 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.219 7.376 6.899 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.606 7.118 5.277 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.574 8.157 5.716 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.599 7.741 7.418 1.00 0.00 H new ATOM 0 HE ARG A 12 4.649 10.155 6.207 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.118 7.854 8.843 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.910 9.037 9.889 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.668 11.669 7.555 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.220 11.188 9.163 1.00 0.00 H new ATOM 151 N PRO A 13 3.625 3.596 8.780 1.00 0.00 N ATOM 152 CA PRO A 13 3.145 2.240 9.061 1.00 0.00 C ATOM 153 C PRO A 13 3.075 1.377 7.805 1.00 0.00 C ATOM 154 O PRO A 13 2.869 1.885 6.702 1.00 0.00 O ATOM 155 CB PRO A 13 1.743 2.470 9.630 1.00 0.00 C ATOM 156 CG PRO A 13 1.314 3.778 9.060 1.00 0.00 C ATOM 157 CD PRO A 13 2.564 4.605 8.932 1.00 0.00 C ATOM 0 HA PRO A 13 3.812 1.704 9.737 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.062 1.670 9.341 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.757 2.498 10.720 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.835 3.643 8.090 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.588 4.267 9.709 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.518 5.273 8.072 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.725 5.229 9.811 1.00 0.00 H new ATOM 165 N TYR A 14 3.248 0.072 7.979 1.00 0.00 N ATOM 166 CA TYR A 14 3.206 -0.860 6.859 1.00 0.00 C ATOM 167 C TYR A 14 1.913 -0.701 6.065 1.00 0.00 C ATOM 168 O TYR A 14 1.934 -0.325 4.893 1.00 0.00 O ATOM 169 CB TYR A 14 3.335 -2.300 7.361 1.00 0.00 C ATOM 170 CG TYR A 14 3.824 -3.267 6.307 1.00 0.00 C ATOM 171 CD1 TYR A 14 4.975 -3.003 5.574 1.00 0.00 C ATOM 172 CD2 TYR A 14 3.135 -4.445 6.043 1.00 0.00 C ATOM 173 CE1 TYR A 14 5.425 -3.884 4.610 1.00 0.00 C ATOM 174 CE2 TYR A 14 3.579 -5.332 5.082 1.00 0.00 C ATOM 175 CZ TYR A 14 4.724 -5.047 4.367 1.00 0.00 C ATOM 176 OH TYR A 14 5.168 -5.927 3.408 1.00 0.00 O ATOM 0 H TYR A 14 3.419 -0.365 8.885 1.00 0.00 H new ATOM 0 HA TYR A 14 4.045 -0.635 6.201 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.021 -2.321 8.207 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.365 -2.636 7.729 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.527 -2.094 5.761 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.237 -4.671 6.599 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.321 -3.663 4.049 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.033 -6.244 4.891 1.00 0.00 H new ATOM 0 HH TYR A 14 4.910 -6.839 3.657 1.00 0.00 H new ATOM 186 N ARG A 15 0.789 -0.989 6.713 1.00 0.00 N ATOM 187 CA ARG A 15 -0.514 -0.878 6.069 1.00 0.00 C ATOM 188 C ARG A 15 -0.533 0.280 5.076 1.00 0.00 C ATOM 189 O ARG A 15 -0.901 0.108 3.914 1.00 0.00 O ATOM 190 CB ARG A 15 -1.610 -0.682 7.118 1.00 0.00 C ATOM 191 CG ARG A 15 -2.798 0.121 6.615 1.00 0.00 C ATOM 192 CD ARG A 15 -3.927 0.144 7.633 1.00 0.00 C ATOM 193 NE ARG A 15 -3.787 1.246 8.581 1.00 0.00 N ATOM 194 CZ ARG A 15 -3.042 1.182 9.679 1.00 0.00 C ATOM 195 NH1 ARG A 15 -2.371 0.074 9.965 1.00 0.00 N ATOM 196 NH2 ARG A 15 -2.965 2.227 10.492 1.00 0.00 N ATOM 0 H ARG A 15 0.755 -1.301 7.684 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.702 -1.804 5.525 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.958 -1.659 7.454 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.184 -0.180 7.987 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.483 1.141 6.397 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.159 -0.308 5.680 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.881 0.232 7.114 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.945 -0.801 8.176 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.289 2.113 8.389 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.426 -0.731 9.341 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.800 0.027 10.809 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.478 3.081 10.275 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.393 2.176 11.335 1.00 0.00 H new ATOM 210 N ASP A 16 -0.134 1.458 5.541 1.00 0.00 N ATOM 211 CA ASP A 16 -0.105 2.645 4.694 1.00 0.00 C ATOM 212 C ASP A 16 0.728 2.397 3.441 1.00 0.00 C ATOM 213 O ASP A 16 0.250 2.575 2.320 1.00 0.00 O ATOM 214 CB ASP A 16 0.459 3.837 5.469 1.00 0.00 C ATOM 215 CG ASP A 16 -0.591 4.524 6.320 1.00 0.00 C ATOM 216 OD1 ASP A 16 -1.406 3.814 6.946 1.00 0.00 O ATOM 217 OD2 ASP A 16 -0.598 5.772 6.360 1.00 0.00 O ATOM 0 H ASP A 16 0.174 1.617 6.500 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.127 2.870 4.390 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.275 3.498 6.107 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.881 4.556 4.767 1.00 0.00 H new ATOM 222 N ARG A 17 1.977 1.988 3.638 1.00 0.00 N ATOM 223 CA ARG A 17 2.877 1.718 2.523 1.00 0.00 C ATOM 224 C ARG A 17 2.265 0.703 1.563 1.00 0.00 C ATOM 225 O ARG A 17 2.555 0.710 0.367 1.00 0.00 O ATOM 226 CB ARG A 17 4.222 1.202 3.039 1.00 0.00 C ATOM 227 CG ARG A 17 4.873 2.117 4.064 1.00 0.00 C ATOM 228 CD ARG A 17 5.863 1.361 4.936 1.00 0.00 C ATOM 229 NE ARG A 17 7.121 1.105 4.241 1.00 0.00 N ATOM 230 CZ ARG A 17 8.170 0.520 4.809 1.00 0.00 C ATOM 231 NH1 ARG A 17 8.110 0.132 6.076 1.00 0.00 N ATOM 232 NH2 ARG A 17 9.280 0.321 4.111 1.00 0.00 N ATOM 0 H ARG A 17 2.389 1.836 4.559 1.00 0.00 H new ATOM 0 HA ARG A 17 3.036 2.652 1.983 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.077 0.217 3.483 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.900 1.075 2.195 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.385 2.932 3.553 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.104 2.568 4.691 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.060 1.935 5.842 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.422 0.414 5.248 1.00 0.00 H new ATOM 0 HE ARG A 17 7.199 1.391 3.265 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.258 0.283 6.616 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.916 -0.317 6.511 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.329 0.617 3.136 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.084 -0.128 4.549 1.00 0.00 H new ATOM 246 N VAL A 18 1.417 -0.171 2.096 1.00 0.00 N ATOM 247 CA VAL A 18 0.763 -1.193 1.287 1.00 0.00 C ATOM 248 C VAL A 18 -0.384 -0.601 0.476 1.00 0.00 C ATOM 249 O VAL A 18 -0.385 -0.663 -0.753 1.00 0.00 O ATOM 250 CB VAL A 18 0.222 -2.340 2.161 1.00 0.00 C ATOM 251 CG1 VAL A 18 -0.716 -3.227 1.357 1.00 0.00 C ATOM 252 CG2 VAL A 18 1.368 -3.151 2.745 1.00 0.00 C ATOM 0 H VAL A 18 1.167 -0.192 3.085 1.00 0.00 H new ATOM 0 HA VAL A 18 1.517 -1.590 0.607 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.344 -1.909 2.987 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.088 -4.032 1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.555 -2.634 0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.178 -3.652 0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.967 -3.957 3.360 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.964 -3.574 1.936 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.996 -2.505 3.359 1.00 0.00 H new ATOM 262 N ILE A 19 -1.359 -0.028 1.173 1.00 0.00 N ATOM 263 CA ILE A 19 -2.512 0.577 0.518 1.00 0.00 C ATOM 264 C ILE A 19 -2.081 1.670 -0.454 1.00 0.00 C ATOM 265 O ILE A 19 -2.522 1.703 -1.604 1.00 0.00 O ATOM 266 CB ILE A 19 -3.493 1.176 1.544 1.00 0.00 C ATOM 267 CG1 ILE A 19 -2.809 2.280 2.352 1.00 0.00 C ATOM 268 CG2 ILE A 19 -4.024 0.088 2.466 1.00 0.00 C ATOM 269 CD1 ILE A 19 -3.643 2.789 3.506 1.00 0.00 C ATOM 0 H ILE A 19 -1.374 0.030 2.191 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.015 -0.218 -0.032 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.335 1.614 1.008 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.862 1.903 2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.575 3.113 1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.716 0.526 3.185 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.544 -0.667 1.876 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.193 -0.376 2.998 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.096 3.570 4.034 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.580 3.196 3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.856 1.968 4.191 1.00 0.00 H new ATOM 281 N HIS A 20 -1.216 2.564 0.014 1.00 0.00 N ATOM 282 CA HIS A 20 -0.723 3.658 -0.815 1.00 0.00 C ATOM 283 C HIS A 20 -0.237 3.140 -2.165 1.00 0.00 C ATOM 284 O HIS A 20 -0.275 3.856 -3.167 1.00 0.00 O ATOM 285 CB HIS A 20 0.411 4.395 -0.101 1.00 0.00 C ATOM 286 CG HIS A 20 -0.065 5.466 0.831 1.00 0.00 C ATOM 287 ND1 HIS A 20 0.022 5.363 2.203 1.00 0.00 N ATOM 288 CD2 HIS A 20 -0.634 6.669 0.581 1.00 0.00 C ATOM 289 CE1 HIS A 20 -0.475 6.454 2.757 1.00 0.00 C ATOM 290 NE2 HIS A 20 -0.879 7.263 1.795 1.00 0.00 N ATOM 0 H HIS A 20 -0.842 2.552 0.963 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.547 4.351 -0.986 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.005 3.674 0.460 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.070 4.840 -0.846 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.410 4.568 2.711 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.854 7.084 -0.391 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.540 6.651 3.817 1.00 0.00 H new ATOM 298 N LEU A 21 0.219 1.892 -2.186 1.00 0.00 N ATOM 299 CA LEU A 21 0.712 1.278 -3.414 1.00 0.00 C ATOM 300 C LEU A 21 -0.435 0.687 -4.226 1.00 0.00 C ATOM 301 O LEU A 21 -0.551 0.933 -5.428 1.00 0.00 O ATOM 302 CB LEU A 21 1.735 0.189 -3.087 1.00 0.00 C ATOM 303 CG LEU A 21 3.116 0.675 -2.646 1.00 0.00 C ATOM 304 CD1 LEU A 21 3.928 -0.474 -2.070 1.00 0.00 C ATOM 305 CD2 LEU A 21 3.852 1.320 -3.811 1.00 0.00 C ATOM 0 H LEU A 21 0.257 1.286 -1.367 1.00 0.00 H new ATOM 0 HA LEU A 21 1.193 2.053 -4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.325 -0.441 -2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.858 -0.442 -3.967 1.00 0.00 H new ATOM 0 HG LEU A 21 2.984 1.425 -1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.908 -0.109 -1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.408 -0.890 -1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.051 -1.248 -2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.833 1.660 -3.478 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.973 0.592 -4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.278 2.171 -4.177 1.00 0.00 H new ATOM 317 N LEU A 22 -1.283 -0.092 -3.564 1.00 0.00 N ATOM 318 CA LEU A 22 -2.424 -0.717 -4.223 1.00 0.00 C ATOM 319 C LEU A 22 -3.353 0.336 -4.818 1.00 0.00 C ATOM 320 O LEU A 22 -4.012 0.097 -5.829 1.00 0.00 O ATOM 321 CB LEU A 22 -3.194 -1.593 -3.234 1.00 0.00 C ATOM 322 CG LEU A 22 -2.447 -2.815 -2.698 1.00 0.00 C ATOM 323 CD1 LEU A 22 -3.114 -3.336 -1.434 1.00 0.00 C ATOM 324 CD2 LEU A 22 -2.381 -3.906 -3.756 1.00 0.00 C ATOM 0 H LEU A 22 -1.202 -0.306 -2.570 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.046 -1.341 -5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.493 -0.975 -2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.109 -1.935 -3.718 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.429 -2.515 -2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.569 -4.206 -1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.109 -2.556 -0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.143 -3.620 -1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.846 -4.768 -3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.392 -4.204 -4.035 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.858 -3.529 -4.635 1.00 0.00 H new ATOM 336 N ALA A 23 -3.400 1.503 -4.182 1.00 0.00 N ATOM 337 CA ALA A 23 -4.245 2.594 -4.650 1.00 0.00 C ATOM 338 C ALA A 23 -4.095 2.799 -6.154 1.00 0.00 C ATOM 339 O ALA A 23 -4.978 2.434 -6.932 1.00 0.00 O ATOM 340 CB ALA A 23 -3.910 3.878 -3.905 1.00 0.00 C ATOM 0 H ALA A 23 -2.863 1.716 -3.342 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.283 2.329 -4.447 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.549 4.685 -4.265 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.075 3.733 -2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.866 4.137 -4.079 1.00 0.00 H new ATOM 346 N LEU A 24 -2.973 3.384 -6.558 1.00 0.00 N ATOM 347 CA LEU A 24 -2.708 3.638 -7.970 1.00 0.00 C ATOM 348 C LEU A 24 -3.185 2.474 -8.831 1.00 0.00 C ATOM 349 O LEU A 24 -3.834 2.672 -9.859 1.00 0.00 O ATOM 350 CB LEU A 24 -1.213 3.874 -8.193 1.00 0.00 C ATOM 351 CG LEU A 24 -0.607 5.075 -7.466 1.00 0.00 C ATOM 352 CD1 LEU A 24 0.909 5.063 -7.587 1.00 0.00 C ATOM 353 CD2 LEU A 24 -1.177 6.375 -8.014 1.00 0.00 C ATOM 0 H LEU A 24 -2.232 3.691 -5.928 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.259 4.532 -8.263 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.674 2.978 -7.884 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.041 3.997 -9.262 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.868 5.005 -6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.323 5.925 -7.064 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.302 4.147 -7.145 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.190 5.108 -8.639 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.734 7.218 -7.484 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.948 6.453 -9.077 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.258 6.386 -7.874 1.00 0.00 H new ATOM 365 N LYS A 25 -2.861 1.257 -8.405 1.00 0.00 N ATOM 366 CA LYS A 25 -3.258 0.059 -9.135 1.00 0.00 C ATOM 367 C LYS A 25 -3.167 -1.176 -8.244 1.00 0.00 C ATOM 368 O LYS A 25 -2.491 -1.162 -7.216 1.00 0.00 O ATOM 369 CB LYS A 25 -2.378 -0.125 -10.373 1.00 0.00 C ATOM 370 CG LYS A 25 -0.981 -0.631 -10.056 1.00 0.00 C ATOM 371 CD LYS A 25 -0.313 -1.229 -11.283 1.00 0.00 C ATOM 372 CE LYS A 25 0.845 -2.137 -10.900 1.00 0.00 C ATOM 373 NZ LYS A 25 1.439 -2.809 -12.088 1.00 0.00 N ATOM 0 H LYS A 25 -2.324 1.075 -7.557 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.294 0.182 -9.450 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.863 -0.825 -11.053 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.300 0.827 -10.898 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.374 0.190 -9.674 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.035 -1.382 -9.268 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.046 -1.795 -11.858 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.049 -0.428 -11.928 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.612 -1.553 -10.392 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.497 -2.890 -10.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.225 -3.419 -11.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.714 -3.387 -12.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.794 -2.091 -12.752 1.00 0.00 H new ATOM 387 N ALA A 26 -3.849 -2.242 -8.647 1.00 0.00 N ATOM 388 CA ALA A 26 -3.841 -3.486 -7.888 1.00 0.00 C ATOM 389 C ALA A 26 -2.478 -4.165 -7.959 1.00 0.00 C ATOM 390 O ALA A 26 -1.811 -4.132 -8.994 1.00 0.00 O ATOM 391 CB ALA A 26 -4.926 -4.423 -8.397 1.00 0.00 C ATOM 0 H ALA A 26 -4.415 -2.269 -9.495 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.044 -3.246 -6.844 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.908 -5.348 -7.821 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.900 -3.946 -8.287 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.749 -4.647 -9.449 1.00 0.00 H new ATOM 397 N TYR A 27 -2.068 -4.777 -6.854 1.00 0.00 N ATOM 398 CA TYR A 27 -0.782 -5.461 -6.791 1.00 0.00 C ATOM 399 C TYR A 27 -0.944 -6.879 -6.251 1.00 0.00 C ATOM 400 O TYR A 27 -1.953 -7.207 -5.626 1.00 0.00 O ATOM 401 CB TYR A 27 0.193 -4.677 -5.911 1.00 0.00 C ATOM 402 CG TYR A 27 1.006 -3.653 -6.672 1.00 0.00 C ATOM 403 CD1 TYR A 27 0.438 -2.453 -7.083 1.00 0.00 C ATOM 404 CD2 TYR A 27 2.341 -3.885 -6.978 1.00 0.00 C ATOM 405 CE1 TYR A 27 1.176 -1.516 -7.779 1.00 0.00 C ATOM 406 CE2 TYR A 27 3.087 -2.952 -7.671 1.00 0.00 C ATOM 407 CZ TYR A 27 2.500 -1.769 -8.070 1.00 0.00 C ATOM 408 OH TYR A 27 3.240 -0.837 -8.762 1.00 0.00 O ATOM 0 H TYR A 27 -2.608 -4.813 -5.989 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.381 -5.521 -7.803 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.367 -4.172 -5.124 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.871 -5.376 -5.422 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.598 -2.250 -6.854 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.803 -4.811 -6.669 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.719 -0.590 -8.094 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.124 -3.147 -7.899 1.00 0.00 H new ATOM 0 HH TYR A 27 4.154 -1.170 -8.884 1.00 0.00 H new ATOM 418 N LYS A 28 0.058 -7.716 -6.496 1.00 0.00 N ATOM 419 CA LYS A 28 0.030 -9.099 -6.034 1.00 0.00 C ATOM 420 C LYS A 28 0.895 -9.275 -4.791 1.00 0.00 C ATOM 421 O LYS A 28 1.899 -8.583 -4.617 1.00 0.00 O ATOM 422 CB LYS A 28 0.513 -10.038 -7.142 1.00 0.00 C ATOM 423 CG LYS A 28 -0.279 -9.916 -8.432 1.00 0.00 C ATOM 424 CD LYS A 28 0.325 -8.877 -9.361 1.00 0.00 C ATOM 425 CE LYS A 28 -0.735 -8.234 -10.242 1.00 0.00 C ATOM 426 NZ LYS A 28 -1.134 -9.121 -11.369 1.00 0.00 N ATOM 0 H LYS A 28 0.900 -7.461 -7.012 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.999 -9.349 -5.777 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.563 -9.831 -7.349 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.455 -11.067 -6.786 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.308 -10.882 -8.935 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.310 -9.645 -8.203 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.826 -8.108 -8.772 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.085 -9.345 -9.987 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.612 -7.996 -9.640 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.355 -7.292 -10.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.858 -8.646 -11.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.303 -9.328 -11.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.521 -10.010 -10.991 1.00 0.00 H new ATOM 440 N LYS A 29 0.501 -10.205 -3.928 1.00 0.00 N ATOM 441 CA LYS A 29 1.242 -10.475 -2.701 1.00 0.00 C ATOM 442 C LYS A 29 2.742 -10.312 -2.924 1.00 0.00 C ATOM 443 O LYS A 29 3.419 -9.553 -2.230 1.00 0.00 O ATOM 444 CB LYS A 29 0.941 -11.889 -2.199 1.00 0.00 C ATOM 445 CG LYS A 29 1.995 -12.435 -1.251 1.00 0.00 C ATOM 446 CD LYS A 29 1.650 -12.136 0.198 1.00 0.00 C ATOM 447 CE LYS A 29 2.238 -10.808 0.648 1.00 0.00 C ATOM 448 NZ LYS A 29 3.607 -10.970 1.212 1.00 0.00 N ATOM 0 H LYS A 29 -0.328 -10.785 -4.056 1.00 0.00 H new ATOM 0 HA LYS A 29 0.924 -9.754 -1.948 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.025 -11.888 -1.694 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.852 -12.558 -3.055 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.087 -13.512 -1.389 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.964 -11.999 -1.493 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.567 -12.115 0.318 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.026 -12.936 0.835 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.273 -10.121 -0.198 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.587 -10.358 1.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.045 -10.035 1.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.548 -11.448 2.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.185 -11.541 0.563 1.00 0.00 H new ATOM 462 N PRO A 30 3.276 -11.040 -3.917 1.00 0.00 N ATOM 463 CA PRO A 30 4.701 -10.991 -4.255 1.00 0.00 C ATOM 464 C PRO A 30 5.103 -9.661 -4.883 1.00 0.00 C ATOM 465 O PRO A 30 6.067 -9.028 -4.453 1.00 0.00 O ATOM 466 CB PRO A 30 4.865 -12.130 -5.265 1.00 0.00 C ATOM 467 CG PRO A 30 3.514 -12.295 -5.872 1.00 0.00 C ATOM 468 CD PRO A 30 2.529 -11.965 -4.785 1.00 0.00 C ATOM 0 HA PRO A 30 5.333 -11.091 -3.372 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.611 -11.885 -6.021 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.195 -13.047 -4.777 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.387 -11.632 -6.728 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.370 -13.313 -6.233 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.628 -11.500 -5.186 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.214 -12.857 -4.244 1.00 0.00 H new ATOM 476 N GLU A 31 4.358 -9.243 -5.902 1.00 0.00 N ATOM 477 CA GLU A 31 4.639 -7.988 -6.588 1.00 0.00 C ATOM 478 C GLU A 31 4.668 -6.823 -5.602 1.00 0.00 C ATOM 479 O GLU A 31 5.704 -6.188 -5.405 1.00 0.00 O ATOM 480 CB GLU A 31 3.590 -7.727 -7.671 1.00 0.00 C ATOM 481 CG GLU A 31 4.068 -6.792 -8.769 1.00 0.00 C ATOM 482 CD GLU A 31 3.322 -6.996 -10.074 1.00 0.00 C ATOM 483 OE1 GLU A 31 3.747 -7.857 -10.872 1.00 0.00 O ATOM 484 OE2 GLU A 31 2.313 -6.294 -10.296 1.00 0.00 O ATOM 0 H GLU A 31 3.556 -9.755 -6.270 1.00 0.00 H new ATOM 0 HA GLU A 31 5.620 -8.071 -7.055 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.296 -8.677 -8.117 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.699 -7.304 -7.207 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.944 -5.760 -8.442 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.134 -6.948 -8.936 1.00 0.00 H new ATOM 491 N LEU A 32 3.524 -6.550 -4.985 1.00 0.00 N ATOM 492 CA LEU A 32 3.416 -5.462 -4.019 1.00 0.00 C ATOM 493 C LEU A 32 4.683 -5.355 -3.176 1.00 0.00 C ATOM 494 O LEU A 32 5.206 -4.261 -2.958 1.00 0.00 O ATOM 495 CB LEU A 32 2.203 -5.676 -3.112 1.00 0.00 C ATOM 496 CG LEU A 32 1.532 -4.410 -2.578 1.00 0.00 C ATOM 497 CD1 LEU A 32 0.492 -4.761 -1.526 1.00 0.00 C ATOM 498 CD2 LEU A 32 2.572 -3.457 -2.006 1.00 0.00 C ATOM 0 H LEU A 32 2.658 -7.067 -5.136 1.00 0.00 H new ATOM 0 HA LEU A 32 3.289 -4.531 -4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.460 -6.252 -3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.513 -6.285 -2.263 1.00 0.00 H new ATOM 0 HG LEU A 32 1.027 -3.912 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.025 -3.848 -1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.269 -5.405 -1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.973 -5.282 -0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.077 -2.561 -1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.104 -3.946 -1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.280 -3.180 -2.787 1.00 0.00 H new ATOM 510 N LEU A 33 5.173 -6.497 -2.706 1.00 0.00 N ATOM 511 CA LEU A 33 6.380 -6.533 -1.889 1.00 0.00 C ATOM 512 C LEU A 33 7.553 -5.887 -2.621 1.00 0.00 C ATOM 513 O LEU A 33 8.127 -4.906 -2.149 1.00 0.00 O ATOM 514 CB LEU A 33 6.727 -7.976 -1.520 1.00 0.00 C ATOM 515 CG LEU A 33 6.078 -8.518 -0.245 1.00 0.00 C ATOM 516 CD1 LEU A 33 6.145 -10.037 -0.216 1.00 0.00 C ATOM 517 CD2 LEU A 33 6.750 -7.929 0.987 1.00 0.00 C ATOM 0 H LEU A 33 4.752 -7.410 -2.877 1.00 0.00 H new ATOM 0 HA LEU A 33 6.189 -5.967 -0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.442 -8.621 -2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.809 -8.052 -1.414 1.00 0.00 H new ATOM 0 HG LEU A 33 5.029 -8.221 -0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.679 -10.404 0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.618 -10.441 -1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.187 -10.356 -0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.276 -8.325 1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.807 -8.195 0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.649 -6.844 0.973 1.00 0.00 H new ATOM 529 N ALA A 34 7.901 -6.444 -3.776 1.00 0.00 N ATOM 530 CA ALA A 34 9.002 -5.920 -4.575 1.00 0.00 C ATOM 531 C ALA A 34 9.100 -4.403 -4.446 1.00 0.00 C ATOM 532 O ALA A 34 10.197 -3.846 -4.390 1.00 0.00 O ATOM 533 CB ALA A 34 8.831 -6.317 -6.034 1.00 0.00 C ATOM 0 H ALA A 34 7.437 -7.258 -4.179 1.00 0.00 H new ATOM 0 HA ALA A 34 9.929 -6.352 -4.199 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.660 -5.919 -6.619 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.818 -7.404 -6.116 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.892 -5.913 -6.413 1.00 0.00 H new ATOM 539 N ARG A 35 7.949 -3.742 -4.401 1.00 0.00 N ATOM 540 CA ARG A 35 7.906 -2.290 -4.280 1.00 0.00 C ATOM 541 C ARG A 35 8.331 -1.847 -2.883 1.00 0.00 C ATOM 542 O ARG A 35 9.141 -0.932 -2.729 1.00 0.00 O ATOM 543 CB ARG A 35 6.499 -1.773 -4.585 1.00 0.00 C ATOM 544 CG ARG A 35 6.275 -1.446 -6.052 1.00 0.00 C ATOM 545 CD ARG A 35 7.075 -0.226 -6.480 1.00 0.00 C ATOM 546 NE ARG A 35 6.324 1.013 -6.298 1.00 0.00 N ATOM 547 CZ ARG A 35 6.807 2.216 -6.589 1.00 0.00 C ATOM 548 NH1 ARG A 35 8.035 2.340 -7.074 1.00 0.00 N ATOM 549 NH2 ARG A 35 6.062 3.296 -6.396 1.00 0.00 N ATOM 0 H ARG A 35 7.033 -4.189 -4.447 1.00 0.00 H new ATOM 0 HA ARG A 35 8.605 -1.870 -5.003 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.771 -2.521 -4.273 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.313 -0.879 -3.990 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.560 -2.302 -6.664 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.214 -1.267 -6.228 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.999 -0.178 -5.903 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.358 -0.328 -7.528 1.00 0.00 H new ATOM 0 HE ARG A 35 5.376 0.951 -5.927 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.610 1.511 -7.224 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.404 3.264 -7.297 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.117 3.204 -6.024 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.434 4.219 -6.620 1.00 0.00 H new ATOM 563 N LEU A 36 7.778 -2.502 -1.868 1.00 0.00 N ATOM 564 CA LEU A 36 8.099 -2.176 -0.482 1.00 0.00 C ATOM 565 C LEU A 36 9.509 -2.638 -0.126 1.00 0.00 C ATOM 566 O LEU A 36 10.340 -1.844 0.313 1.00 0.00 O ATOM 567 CB LEU A 36 7.084 -2.822 0.462 1.00 0.00 C ATOM 568 CG LEU A 36 5.660 -2.269 0.398 1.00 0.00 C ATOM 569 CD1 LEU A 36 4.656 -3.331 0.816 1.00 0.00 C ATOM 570 CD2 LEU A 36 5.528 -1.032 1.276 1.00 0.00 C ATOM 0 H LEU A 36 7.106 -3.261 -1.978 1.00 0.00 H new ATOM 0 HA LEU A 36 8.053 -1.093 -0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.047 -3.890 0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.448 -2.714 1.484 1.00 0.00 H new ATOM 0 HG LEU A 36 5.448 -1.983 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.648 -2.919 0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.733 -4.188 0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.866 -3.649 1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.508 -0.652 1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.760 -1.292 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.221 -0.265 0.931 1.00 0.00 H new ATOM 582 N GLN A 37 9.770 -3.927 -0.321 1.00 0.00 N ATOM 583 CA GLN A 37 11.079 -4.494 -0.022 1.00 0.00 C ATOM 584 C GLN A 37 12.195 -3.582 -0.522 1.00 0.00 C ATOM 585 O GLN A 37 13.245 -3.464 0.109 1.00 0.00 O ATOM 586 CB GLN A 37 11.215 -5.880 -0.654 1.00 0.00 C ATOM 587 CG GLN A 37 10.412 -6.955 0.059 1.00 0.00 C ATOM 588 CD GLN A 37 11.218 -7.679 1.119 1.00 0.00 C ATOM 589 OE1 GLN A 37 10.981 -8.854 1.402 1.00 0.00 O ATOM 590 NE2 GLN A 37 12.177 -6.979 1.714 1.00 0.00 N ATOM 0 H GLN A 37 9.093 -4.597 -0.684 1.00 0.00 H new ATOM 0 HA GLN A 37 11.168 -4.586 1.060 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.894 -5.829 -1.694 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.267 -6.167 -0.658 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.535 -6.502 0.521 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.049 -7.677 -0.672 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.339 -6.008 1.448 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.752 -7.413 2.437 1.00 0.00 H new ATOM 599 N LYS A 38 11.960 -2.938 -1.661 1.00 0.00 N ATOM 600 CA LYS A 38 12.943 -2.035 -2.247 1.00 0.00 C ATOM 601 C LYS A 38 13.470 -1.054 -1.205 1.00 0.00 C ATOM 602 O LYS A 38 14.678 -0.944 -0.996 1.00 0.00 O ATOM 603 CB LYS A 38 12.328 -1.269 -3.420 1.00 0.00 C ATOM 604 CG LYS A 38 12.423 -2.006 -4.745 1.00 0.00 C ATOM 605 CD LYS A 38 11.408 -1.483 -5.748 1.00 0.00 C ATOM 606 CE LYS A 38 11.133 -2.500 -6.845 1.00 0.00 C ATOM 607 NZ LYS A 38 9.896 -2.174 -7.606 1.00 0.00 N ATOM 0 H LYS A 38 11.096 -3.025 -2.197 1.00 0.00 H new ATOM 0 HA LYS A 38 13.778 -2.634 -2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.280 -1.066 -3.201 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.826 -0.304 -3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.428 -1.896 -5.152 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.260 -3.071 -4.582 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.478 -1.241 -5.234 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.777 -0.558 -6.192 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.981 -2.535 -7.529 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.037 -3.492 -6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.884 -2.712 -8.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.062 -2.426 -7.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.876 -1.156 -7.817 1.00 0.00 H new ATOM 621 N ASP A 39 12.556 -0.343 -0.554 1.00 0.00 N ATOM 622 CA ASP A 39 12.928 0.628 0.469 1.00 0.00 C ATOM 623 C ASP A 39 13.332 -0.073 1.762 1.00 0.00 C ATOM 624 O ASP A 39 14.119 0.456 2.547 1.00 0.00 O ATOM 625 CB ASP A 39 11.769 1.589 0.736 1.00 0.00 C ATOM 626 CG ASP A 39 11.783 2.786 -0.196 1.00 0.00 C ATOM 627 OD1 ASP A 39 11.392 2.627 -1.371 1.00 0.00 O ATOM 628 OD2 ASP A 39 12.184 3.880 0.251 1.00 0.00 O ATOM 0 H ASP A 39 11.552 -0.421 -0.716 1.00 0.00 H new ATOM 0 HA ASP A 39 13.783 1.196 0.102 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.825 1.056 0.623 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.818 1.935 1.768 1.00 0.00 H new ATOM 633 N GLY A 40 12.787 -1.266 1.978 1.00 0.00 N ATOM 634 CA GLY A 40 13.102 -2.019 3.178 1.00 0.00 C ATOM 635 C GLY A 40 11.866 -2.591 3.844 1.00 0.00 C ATOM 636 O GLY A 40 11.003 -1.847 4.312 1.00 0.00 O ATOM 0 H GLY A 40 12.133 -1.725 1.344 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.784 -2.831 2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.624 -1.372 3.883 1.00 0.00 H new ATOM 640 N VAL A 41 11.779 -3.917 3.888 1.00 0.00 N ATOM 641 CA VAL A 41 10.639 -4.588 4.501 1.00 0.00 C ATOM 642 C VAL A 41 11.088 -5.522 5.619 1.00 0.00 C ATOM 643 O VAL A 41 12.159 -6.124 5.546 1.00 0.00 O ATOM 644 CB VAL A 41 9.838 -5.396 3.462 1.00 0.00 C ATOM 645 CG1 VAL A 41 8.927 -6.399 4.153 1.00 0.00 C ATOM 646 CG2 VAL A 41 9.036 -4.464 2.567 1.00 0.00 C ATOM 0 H VAL A 41 12.484 -4.547 3.506 1.00 0.00 H new ATOM 0 HA VAL A 41 9.999 -3.810 4.917 1.00 0.00 H new ATOM 0 HB VAL A 41 10.540 -5.949 2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.369 -6.960 3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.528 -7.086 4.748 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.230 -5.870 4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.476 -5.051 1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.343 -3.883 3.175 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.714 -3.789 2.045 1.00 0.00 H new ATOM 656 N ASN A 42 10.262 -5.639 6.653 1.00 0.00 N ATOM 657 CA ASN A 42 10.574 -6.500 7.788 1.00 0.00 C ATOM 658 C ASN A 42 10.042 -7.912 7.561 1.00 0.00 C ATOM 659 O ASN A 42 8.838 -8.115 7.407 1.00 0.00 O ATOM 660 CB ASN A 42 9.981 -5.920 9.073 1.00 0.00 C ATOM 661 CG ASN A 42 10.928 -4.960 9.765 1.00 0.00 C ATOM 662 OD1 ASN A 42 12.131 -4.962 9.505 1.00 0.00 O ATOM 663 ND2 ASN A 42 10.388 -4.132 10.653 1.00 0.00 N ATOM 0 H ASN A 42 9.371 -5.148 6.729 1.00 0.00 H new ATOM 0 HA ASN A 42 11.658 -6.550 7.887 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.050 -5.403 8.839 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.731 -6.734 9.754 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.976 -3.463 11.150 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.385 -4.165 10.837 1.00 0.00 H new ATOM 670 N GLN A 43 10.949 -8.884 7.542 1.00 0.00 N ATOM 671 CA GLN A 43 10.571 -10.277 7.334 1.00 0.00 C ATOM 672 C GLN A 43 9.357 -10.644 8.181 1.00 0.00 C ATOM 673 O GLN A 43 8.562 -11.505 7.805 1.00 0.00 O ATOM 674 CB GLN A 43 11.742 -11.201 7.673 1.00 0.00 C ATOM 675 CG GLN A 43 12.248 -11.044 9.098 1.00 0.00 C ATOM 676 CD GLN A 43 13.353 -12.026 9.436 1.00 0.00 C ATOM 677 OE1 GLN A 43 14.421 -12.012 8.822 1.00 0.00 O ATOM 678 NE2 GLN A 43 13.103 -12.885 10.417 1.00 0.00 N ATOM 0 H GLN A 43 11.950 -8.733 7.668 1.00 0.00 H new ATOM 0 HA GLN A 43 10.310 -10.403 6.283 1.00 0.00 H new ATOM 0 HB2 GLN A 43 11.435 -12.235 7.517 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.561 -11.004 6.982 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.615 -10.027 9.239 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.419 -11.183 9.792 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.204 -12.861 10.899 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.810 -13.569 10.689 1.00 0.00 H new ATOM 687 N LYS A 44 9.220 -9.985 9.326 1.00 0.00 N ATOM 688 CA LYS A 44 8.102 -10.240 10.227 1.00 0.00 C ATOM 689 C LYS A 44 6.801 -9.696 9.647 1.00 0.00 C ATOM 690 O LYS A 44 5.751 -10.330 9.750 1.00 0.00 O ATOM 691 CB LYS A 44 8.368 -9.606 11.595 1.00 0.00 C ATOM 692 CG LYS A 44 7.107 -9.355 12.404 1.00 0.00 C ATOM 693 CD LYS A 44 6.453 -10.657 12.836 1.00 0.00 C ATOM 694 CE LYS A 44 5.249 -10.406 13.730 1.00 0.00 C ATOM 695 NZ LYS A 44 5.644 -9.823 15.042 1.00 0.00 N ATOM 0 H LYS A 44 9.870 -9.270 9.653 1.00 0.00 H new ATOM 0 HA LYS A 44 8.003 -11.319 10.346 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.032 -10.256 12.165 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.892 -8.661 11.453 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.351 -8.760 13.284 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.403 -8.772 11.810 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.143 -11.219 11.955 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.180 -11.272 13.367 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.557 -9.731 13.226 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.717 -11.343 13.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.845 -9.886 15.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.454 -10.350 15.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.909 -8.826 14.913 1.00 0.00 H new ATOM 709 N ASP A 45 6.877 -8.518 9.037 1.00 0.00 N ATOM 710 CA ASP A 45 5.705 -7.890 8.438 1.00 0.00 C ATOM 711 C ASP A 45 5.310 -8.597 7.145 1.00 0.00 C ATOM 712 O ASP A 45 4.140 -8.606 6.762 1.00 0.00 O ATOM 713 CB ASP A 45 5.978 -6.410 8.162 1.00 0.00 C ATOM 714 CG ASP A 45 5.699 -5.535 9.368 1.00 0.00 C ATOM 715 OD1 ASP A 45 6.546 -5.501 10.286 1.00 0.00 O ATOM 716 OD2 ASP A 45 4.634 -4.884 9.395 1.00 0.00 O ATOM 0 H ASP A 45 7.738 -7.979 8.944 1.00 0.00 H new ATOM 0 HA ASP A 45 4.878 -7.974 9.143 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.018 -6.286 7.859 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.361 -6.079 7.326 1.00 0.00 H new ATOM 721 N LYS A 46 6.294 -9.188 6.476 1.00 0.00 N ATOM 722 CA LYS A 46 6.052 -9.898 5.226 1.00 0.00 C ATOM 723 C LYS A 46 4.845 -10.822 5.351 1.00 0.00 C ATOM 724 O LYS A 46 3.950 -10.808 4.506 1.00 0.00 O ATOM 725 CB LYS A 46 7.288 -10.707 4.827 1.00 0.00 C ATOM 726 CG LYS A 46 8.291 -9.919 4.002 1.00 0.00 C ATOM 727 CD LYS A 46 9.057 -10.818 3.047 1.00 0.00 C ATOM 728 CE LYS A 46 10.179 -11.559 3.758 1.00 0.00 C ATOM 729 NZ LYS A 46 11.322 -10.660 4.077 1.00 0.00 N ATOM 0 H LYS A 46 7.268 -9.189 6.779 1.00 0.00 H new ATOM 0 HA LYS A 46 5.844 -9.159 4.452 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.779 -11.072 5.729 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.971 -11.582 4.260 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.771 -9.146 3.437 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.991 -9.412 4.666 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.374 -11.537 2.595 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.472 -10.220 2.236 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.797 -12.001 4.678 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.527 -12.380 3.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.777 -10.976 4.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.013 -10.689 3.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 10.975 -9.687 4.196 1.00 0.00 H new ATOM 743 N ASN A 47 4.826 -11.624 6.411 1.00 0.00 N ATOM 744 CA ASN A 47 3.728 -12.554 6.646 1.00 0.00 C ATOM 745 C ASN A 47 2.423 -11.804 6.894 1.00 0.00 C ATOM 746 O ASN A 47 1.364 -12.201 6.407 1.00 0.00 O ATOM 747 CB ASN A 47 4.044 -13.457 7.840 1.00 0.00 C ATOM 748 CG ASN A 47 3.316 -14.786 7.769 1.00 0.00 C ATOM 749 OD1 ASN A 47 3.651 -15.647 6.954 1.00 0.00 O ATOM 750 ND2 ASN A 47 2.314 -14.958 8.623 1.00 0.00 N ATOM 0 H ASN A 47 5.558 -11.648 7.120 1.00 0.00 H new ATOM 0 HA ASN A 47 3.609 -13.169 5.754 1.00 0.00 H new ATOM 0 HB2 ASN A 47 5.118 -13.636 7.882 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.770 -12.945 8.762 1.00 0.00 H new ATOM 0 HD21 ASN A 47 1.787 -15.831 8.621 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.072 -14.217 9.281 1.00 0.00 H new ATOM 757 N SER A 48 2.507 -10.716 7.653 1.00 0.00 N ATOM 758 CA SER A 48 1.332 -9.911 7.968 1.00 0.00 C ATOM 759 C SER A 48 0.758 -9.271 6.708 1.00 0.00 C ATOM 760 O SER A 48 -0.453 -9.080 6.591 1.00 0.00 O ATOM 761 CB SER A 48 1.689 -8.827 8.987 1.00 0.00 C ATOM 762 OG SER A 48 2.112 -7.639 8.341 1.00 0.00 O ATOM 0 H SER A 48 3.376 -10.372 8.061 1.00 0.00 H new ATOM 0 HA SER A 48 0.576 -10.569 8.397 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.824 -8.615 9.615 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.479 -9.188 9.645 1.00 0.00 H new ATOM 0 HG SER A 48 2.921 -7.821 7.819 1.00 0.00 H new ATOM 768 N LEU A 49 1.636 -8.941 5.767 1.00 0.00 N ATOM 769 CA LEU A 49 1.219 -8.322 4.514 1.00 0.00 C ATOM 770 C LEU A 49 -0.016 -9.017 3.949 1.00 0.00 C ATOM 771 O LEU A 49 -1.038 -8.380 3.695 1.00 0.00 O ATOM 772 CB LEU A 49 2.357 -8.372 3.494 1.00 0.00 C ATOM 773 CG LEU A 49 2.332 -7.296 2.407 1.00 0.00 C ATOM 774 CD1 LEU A 49 3.213 -7.700 1.235 1.00 0.00 C ATOM 775 CD2 LEU A 49 0.905 -7.042 1.942 1.00 0.00 C ATOM 0 H LEU A 49 2.641 -9.092 5.848 1.00 0.00 H new ATOM 0 HA LEU A 49 0.967 -7.281 4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.303 -8.296 4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.342 -9.349 3.011 1.00 0.00 H new ATOM 0 HG LEU A 49 2.726 -6.371 2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.182 -6.922 0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.239 -7.831 1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.850 -8.637 0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.906 -6.274 1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.485 -7.963 1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.302 -6.707 2.786 1.00 0.00 H new ATOM 787 N GLY A 50 0.085 -10.329 3.756 1.00 0.00 N ATOM 788 CA GLY A 50 -1.031 -11.088 3.224 1.00 0.00 C ATOM 789 C GLY A 50 -2.325 -10.813 3.964 1.00 0.00 C ATOM 790 O GLY A 50 -3.399 -10.792 3.364 1.00 0.00 O ATOM 0 H GLY A 50 0.920 -10.879 3.959 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.161 -10.846 2.169 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.803 -12.152 3.281 1.00 0.00 H new ATOM 794 N ALA A 51 -2.223 -10.604 5.273 1.00 0.00 N ATOM 795 CA ALA A 51 -3.394 -10.329 6.095 1.00 0.00 C ATOM 796 C ALA A 51 -3.927 -8.923 5.840 1.00 0.00 C ATOM 797 O ALA A 51 -5.137 -8.715 5.748 1.00 0.00 O ATOM 798 CB ALA A 51 -3.058 -10.508 7.569 1.00 0.00 C ATOM 0 H ALA A 51 -1.342 -10.620 5.786 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.174 -11.040 5.821 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.942 -10.299 8.172 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.732 -11.533 7.746 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.259 -9.820 7.846 1.00 0.00 H new ATOM 804 N ILE A 52 -3.017 -7.962 5.726 1.00 0.00 N ATOM 805 CA ILE A 52 -3.396 -6.576 5.480 1.00 0.00 C ATOM 806 C ILE A 52 -4.076 -6.425 4.124 1.00 0.00 C ATOM 807 O ILE A 52 -5.122 -5.784 4.010 1.00 0.00 O ATOM 808 CB ILE A 52 -2.175 -5.640 5.537 1.00 0.00 C ATOM 809 CG1 ILE A 52 -1.493 -5.738 6.903 1.00 0.00 C ATOM 810 CG2 ILE A 52 -2.593 -4.205 5.250 1.00 0.00 C ATOM 811 CD1 ILE A 52 -0.080 -5.196 6.914 1.00 0.00 C ATOM 0 H ILE A 52 -2.012 -8.118 5.800 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.095 -6.295 6.268 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.463 -5.950 4.773 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.088 -5.194 7.637 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.476 -6.782 7.217 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.719 -3.556 5.294 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.038 -4.147 4.257 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.322 -3.883 5.993 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.341 -5.298 7.914 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.530 -5.756 6.205 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.092 -4.143 6.631 1.00 0.00 H new ATOM 823 N LEU A 53 -3.477 -7.019 3.098 1.00 0.00 N ATOM 824 CA LEU A 53 -4.026 -6.953 1.748 1.00 0.00 C ATOM 825 C LEU A 53 -5.522 -7.249 1.753 1.00 0.00 C ATOM 826 O LEU A 53 -6.279 -6.682 0.966 1.00 0.00 O ATOM 827 CB LEU A 53 -3.301 -7.941 0.833 1.00 0.00 C ATOM 828 CG LEU A 53 -1.960 -7.472 0.267 1.00 0.00 C ATOM 829 CD1 LEU A 53 -1.115 -8.663 -0.160 1.00 0.00 C ATOM 830 CD2 LEU A 53 -2.176 -6.523 -0.902 1.00 0.00 C ATOM 0 H LEU A 53 -2.611 -7.552 3.175 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.877 -5.941 1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.135 -8.865 1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.960 -8.184 -0.001 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.425 -6.935 1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.165 -8.310 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.930 -9.305 0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.644 -9.228 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.211 -6.200 -1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.732 -7.034 -1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.741 -5.654 -0.565 1.00 0.00 H new ATOM 842 N GLN A 54 -5.940 -8.140 2.646 1.00 0.00 N ATOM 843 CA GLN A 54 -7.346 -8.511 2.754 1.00 0.00 C ATOM 844 C GLN A 54 -8.090 -7.559 3.685 1.00 0.00 C ATOM 845 O GLN A 54 -9.313 -7.439 3.616 1.00 0.00 O ATOM 846 CB GLN A 54 -7.479 -9.948 3.262 1.00 0.00 C ATOM 847 CG GLN A 54 -8.869 -10.284 3.778 1.00 0.00 C ATOM 848 CD GLN A 54 -9.212 -11.752 3.615 1.00 0.00 C ATOM 849 OE1 GLN A 54 -8.738 -12.414 2.692 1.00 0.00 O ATOM 850 NE2 GLN A 54 -10.041 -12.269 4.514 1.00 0.00 N ATOM 0 H GLN A 54 -5.326 -8.618 3.305 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.791 -8.442 1.762 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.224 -10.635 2.455 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.755 -10.111 4.060 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.937 -10.014 4.832 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.605 -9.681 3.246 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.410 -11.684 5.263 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.308 -13.252 4.456 1.00 0.00 H new ATOM 859 N GLN A 55 -7.344 -6.886 4.555 1.00 0.00 N ATOM 860 CA GLN A 55 -7.934 -5.946 5.500 1.00 0.00 C ATOM 861 C GLN A 55 -8.123 -4.575 4.859 1.00 0.00 C ATOM 862 O GLN A 55 -8.949 -3.779 5.304 1.00 0.00 O ATOM 863 CB GLN A 55 -7.054 -5.823 6.746 1.00 0.00 C ATOM 864 CG GLN A 55 -7.109 -7.041 7.653 1.00 0.00 C ATOM 865 CD GLN A 55 -8.210 -6.946 8.691 1.00 0.00 C ATOM 866 OE1 GLN A 55 -9.307 -6.465 8.407 1.00 0.00 O ATOM 867 NE2 GLN A 55 -7.922 -7.405 9.904 1.00 0.00 N ATOM 0 H GLN A 55 -6.330 -6.974 4.625 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.912 -6.328 5.791 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.022 -5.657 6.437 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.362 -4.944 7.313 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.262 -7.934 7.047 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.149 -7.158 8.156 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.000 -7.796 10.096 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.623 -7.367 10.644 1.00 0.00 H new ATOM 876 N VAL A 56 -7.350 -4.306 3.811 1.00 0.00 N ATOM 877 CA VAL A 56 -7.433 -3.032 3.108 1.00 0.00 C ATOM 878 C VAL A 56 -7.709 -3.240 1.623 1.00 0.00 C ATOM 879 O VAL A 56 -8.218 -2.349 0.945 1.00 0.00 O ATOM 880 CB VAL A 56 -6.136 -2.217 3.268 1.00 0.00 C ATOM 881 CG1 VAL A 56 -5.811 -2.013 4.740 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.984 -2.904 2.549 1.00 0.00 C ATOM 0 H VAL A 56 -6.660 -4.954 3.431 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.259 -2.478 3.554 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.285 -1.237 2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.891 -1.435 4.833 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.628 -1.475 5.222 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.681 -2.982 5.222 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.075 -2.315 2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.832 -3.897 2.971 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.218 -2.992 1.488 1.00 0.00 H new ATOM 892 N ALA A 57 -7.371 -4.425 1.125 1.00 0.00 N ATOM 893 CA ALA A 57 -7.585 -4.752 -0.280 1.00 0.00 C ATOM 894 C ALA A 57 -8.402 -6.032 -0.427 1.00 0.00 C ATOM 895 O ALA A 57 -8.751 -6.673 0.563 1.00 0.00 O ATOM 896 CB ALA A 57 -6.251 -4.890 -0.999 1.00 0.00 C ATOM 0 H ALA A 57 -6.948 -5.174 1.673 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.148 -3.938 -0.736 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.426 -5.134 -2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.703 -3.950 -0.932 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.667 -5.684 -0.534 1.00 0.00 H new ATOM 902 N ASN A 58 -8.704 -6.396 -1.669 1.00 0.00 N ATOM 903 CA ASN A 58 -9.482 -7.598 -1.945 1.00 0.00 C ATOM 904 C ASN A 58 -8.844 -8.413 -3.066 1.00 0.00 C ATOM 905 O ASN A 58 -8.518 -7.880 -4.128 1.00 0.00 O ATOM 906 CB ASN A 58 -10.917 -7.227 -2.322 1.00 0.00 C ATOM 907 CG ASN A 58 -11.650 -6.530 -1.192 1.00 0.00 C ATOM 908 OD1 ASN A 58 -11.579 -6.952 -0.038 1.00 0.00 O ATOM 909 ND2 ASN A 58 -12.359 -5.456 -1.521 1.00 0.00 N ATOM 0 H ASN A 58 -8.422 -5.876 -2.500 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.497 -8.206 -1.041 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.903 -6.578 -3.198 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.461 -8.129 -2.602 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.873 -4.945 -0.804 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.389 -5.142 -2.491 1.00 0.00 H new ATOM 916 N LEU A 59 -8.669 -9.707 -2.824 1.00 0.00 N ATOM 917 CA LEU A 59 -8.071 -10.597 -3.813 1.00 0.00 C ATOM 918 C LEU A 59 -9.092 -10.998 -4.873 1.00 0.00 C ATOM 919 O LEU A 59 -10.200 -11.425 -4.550 1.00 0.00 O ATOM 920 CB LEU A 59 -7.508 -11.845 -3.132 1.00 0.00 C ATOM 921 CG LEU A 59 -6.554 -12.696 -3.971 1.00 0.00 C ATOM 922 CD1 LEU A 59 -6.010 -13.854 -3.149 1.00 0.00 C ATOM 923 CD2 LEU A 59 -7.256 -13.209 -5.220 1.00 0.00 C ATOM 0 H LEU A 59 -8.933 -10.164 -1.951 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.258 -10.061 -4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.986 -11.536 -2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.343 -12.472 -2.820 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.716 -12.071 -4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.333 -14.449 -3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.471 -13.465 -2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.836 -14.479 -2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.562 -13.813 -5.805 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.113 -13.818 -4.932 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.596 -12.364 -5.819 1.00 0.00 H new ATOM 935 N ASN A 60 -8.710 -10.861 -6.138 1.00 0.00 N ATOM 936 CA ASN A 60 -9.592 -11.211 -7.245 1.00 0.00 C ATOM 937 C ASN A 60 -9.147 -12.513 -7.905 1.00 0.00 C ATOM 938 O ASN A 60 -8.232 -12.522 -8.728 1.00 0.00 O ATOM 939 CB ASN A 60 -9.617 -10.084 -8.281 1.00 0.00 C ATOM 940 CG ASN A 60 -10.936 -10.012 -9.025 1.00 0.00 C ATOM 941 OD1 ASN A 60 -12.007 -10.039 -8.417 1.00 0.00 O ATOM 942 ND2 ASN A 60 -10.865 -9.921 -10.348 1.00 0.00 N ATOM 0 H ASN A 60 -7.795 -10.510 -6.422 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.596 -11.351 -6.846 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.431 -9.132 -7.783 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.808 -10.233 -8.996 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.720 -9.870 -10.902 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.956 -9.902 -10.810 1.00 0.00 H new ATOM 949 N SER A 61 -9.801 -13.610 -7.537 1.00 0.00 N ATOM 950 CA SER A 61 -9.471 -14.918 -8.090 1.00 0.00 C ATOM 951 C SER A 61 -9.160 -14.815 -9.580 1.00 0.00 C ATOM 952 O SER A 61 -8.361 -15.585 -10.115 1.00 0.00 O ATOM 953 CB SER A 61 -10.625 -15.896 -7.864 1.00 0.00 C ATOM 954 OG SER A 61 -10.166 -17.237 -7.873 1.00 0.00 O ATOM 0 H SER A 61 -10.562 -13.619 -6.858 1.00 0.00 H new ATOM 0 HA SER A 61 -8.584 -15.289 -7.577 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.108 -15.680 -6.911 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.378 -15.761 -8.640 1.00 0.00 H new ATOM 0 HG SER A 61 -10.922 -17.843 -7.725 1.00 0.00 H new ATOM 960 N LYS A 62 -9.798 -13.859 -10.246 1.00 0.00 N ATOM 961 CA LYS A 62 -9.591 -13.652 -11.675 1.00 0.00 C ATOM 962 C LYS A 62 -8.104 -13.669 -12.017 1.00 0.00 C ATOM 963 O LYS A 62 -7.626 -14.573 -12.703 1.00 0.00 O ATOM 964 CB LYS A 62 -10.211 -12.323 -12.114 1.00 0.00 C ATOM 965 CG LYS A 62 -10.639 -12.304 -13.571 1.00 0.00 C ATOM 966 CD LYS A 62 -11.924 -13.087 -13.784 1.00 0.00 C ATOM 967 CE LYS A 62 -12.695 -12.575 -14.991 1.00 0.00 C ATOM 968 NZ LYS A 62 -13.971 -13.317 -15.190 1.00 0.00 N ATOM 0 H LYS A 62 -10.463 -13.215 -9.819 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.079 -14.467 -12.209 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.077 -12.111 -11.487 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.491 -11.522 -11.945 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.782 -11.273 -13.896 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.847 -12.727 -14.189 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.690 -14.143 -13.922 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.548 -13.013 -12.894 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.908 -11.514 -14.862 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.077 -12.670 -15.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.467 -12.938 -16.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.766 -14.326 -15.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.572 -13.206 -14.349 1.00 0.00 H new ATOM 982 N ASP A 63 -7.379 -12.667 -11.534 1.00 0.00 N ATOM 983 CA ASP A 63 -5.946 -12.568 -11.787 1.00 0.00 C ATOM 984 C ASP A 63 -5.156 -12.683 -10.487 1.00 0.00 C ATOM 985 O ASP A 63 -3.974 -12.340 -10.434 1.00 0.00 O ATOM 986 CB ASP A 63 -5.619 -11.246 -12.482 1.00 0.00 C ATOM 987 CG ASP A 63 -5.678 -11.356 -13.993 1.00 0.00 C ATOM 988 OD1 ASP A 63 -4.855 -12.101 -14.566 1.00 0.00 O ATOM 989 OD2 ASP A 63 -6.547 -10.699 -14.602 1.00 0.00 O ATOM 0 H ASP A 63 -7.760 -11.911 -10.965 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.659 -13.393 -12.440 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.320 -10.481 -12.149 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.623 -10.918 -12.183 1.00 0.00 H new ATOM 994 N LEU A 64 -5.816 -13.165 -9.440 1.00 0.00 N ATOM 995 CA LEU A 64 -5.176 -13.324 -8.139 1.00 0.00 C ATOM 996 C LEU A 64 -4.490 -12.032 -7.708 1.00 0.00 C ATOM 997 O LEU A 64 -3.526 -12.054 -6.942 1.00 0.00 O ATOM 998 CB LEU A 64 -4.157 -14.464 -8.186 1.00 0.00 C ATOM 999 CG LEU A 64 -4.731 -15.880 -8.117 1.00 0.00 C ATOM 1000 CD1 LEU A 64 -3.639 -16.911 -8.359 1.00 0.00 C ATOM 1001 CD2 LEU A 64 -5.404 -16.119 -6.774 1.00 0.00 C ATOM 0 H LEU A 64 -6.794 -13.453 -9.466 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.949 -13.565 -7.409 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.580 -14.372 -9.106 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.459 -14.335 -7.358 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.482 -15.985 -8.900 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.066 -17.912 -8.306 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.203 -16.754 -9.345 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.865 -16.806 -7.599 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.806 -17.132 -6.744 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.674 -15.994 -5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.215 -15.402 -6.641 1.00 0.00 H new ATOM 1013 N SER A 65 -4.995 -10.906 -8.203 1.00 0.00 N ATOM 1014 CA SER A 65 -4.430 -9.604 -7.870 1.00 0.00 C ATOM 1015 C SER A 65 -5.217 -8.942 -6.743 1.00 0.00 C ATOM 1016 O SER A 65 -6.445 -9.029 -6.694 1.00 0.00 O ATOM 1017 CB SER A 65 -4.423 -8.698 -9.103 1.00 0.00 C ATOM 1018 OG SER A 65 -5.726 -8.563 -9.645 1.00 0.00 O ATOM 0 H SER A 65 -5.794 -10.870 -8.836 1.00 0.00 H new ATOM 0 HA SER A 65 -3.405 -9.756 -7.533 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.034 -7.716 -8.834 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.753 -9.111 -9.857 1.00 0.00 H new ATOM 0 HG SER A 65 -5.695 -7.978 -10.431 1.00 0.00 H new ATOM 1024 N TYR A 66 -4.502 -8.281 -5.840 1.00 0.00 N ATOM 1025 CA TYR A 66 -5.132 -7.606 -4.711 1.00 0.00 C ATOM 1026 C TYR A 66 -5.516 -6.176 -5.077 1.00 0.00 C ATOM 1027 O TYR A 66 -4.657 -5.347 -5.382 1.00 0.00 O ATOM 1028 CB TYR A 66 -4.193 -7.601 -3.504 1.00 0.00 C ATOM 1029 CG TYR A 66 -4.062 -8.950 -2.833 1.00 0.00 C ATOM 1030 CD1 TYR A 66 -4.990 -9.371 -1.889 1.00 0.00 C ATOM 1031 CD2 TYR A 66 -3.010 -9.803 -3.144 1.00 0.00 C ATOM 1032 CE1 TYR A 66 -4.874 -10.602 -1.273 1.00 0.00 C ATOM 1033 CE2 TYR A 66 -2.887 -11.036 -2.533 1.00 0.00 C ATOM 1034 CZ TYR A 66 -3.821 -11.431 -1.599 1.00 0.00 C ATOM 1035 OH TYR A 66 -3.703 -12.659 -0.988 1.00 0.00 O ATOM 0 H TYR A 66 -3.486 -8.198 -5.867 1.00 0.00 H new ATOM 0 HA TYR A 66 -6.040 -8.152 -4.454 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.206 -7.266 -3.823 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.555 -6.876 -2.775 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.816 -8.725 -1.632 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.277 -9.497 -3.875 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.604 -10.914 -0.540 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.063 -11.687 -2.786 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.908 -13.119 -1.330 1.00 0.00 H new ATOM 1045 N THR A 67 -6.814 -5.891 -5.044 1.00 0.00 N ATOM 1046 CA THR A 67 -7.314 -4.562 -5.372 1.00 0.00 C ATOM 1047 C THR A 67 -7.632 -3.768 -4.111 1.00 0.00 C ATOM 1048 O THR A 67 -8.390 -4.222 -3.253 1.00 0.00 O ATOM 1049 CB THR A 67 -8.578 -4.638 -6.250 1.00 0.00 C ATOM 1050 OG1 THR A 67 -9.677 -5.144 -5.483 1.00 0.00 O ATOM 1051 CG2 THR A 67 -8.344 -5.530 -7.460 1.00 0.00 C ATOM 0 H THR A 67 -7.539 -6.564 -4.793 1.00 0.00 H new ATOM 0 HA THR A 67 -6.525 -4.056 -5.928 1.00 0.00 H new ATOM 0 HB THR A 67 -8.812 -3.633 -6.600 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.480 -5.050 -4.528 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.250 -5.568 -8.065 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.526 -5.126 -8.057 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.088 -6.536 -7.127 1.00 0.00 H new ATOM 1059 N LEU A 68 -7.050 -2.578 -4.004 1.00 0.00 N ATOM 1060 CA LEU A 68 -7.272 -1.719 -2.846 1.00 0.00 C ATOM 1061 C LEU A 68 -8.756 -1.416 -2.670 1.00 0.00 C ATOM 1062 O LEU A 68 -9.428 -0.981 -3.605 1.00 0.00 O ATOM 1063 CB LEU A 68 -6.488 -0.414 -2.997 1.00 0.00 C ATOM 1064 CG LEU A 68 -6.018 0.241 -1.698 1.00 0.00 C ATOM 1065 CD1 LEU A 68 -5.896 1.746 -1.873 1.00 0.00 C ATOM 1066 CD2 LEU A 68 -6.971 -0.090 -0.559 1.00 0.00 C ATOM 0 H LEU A 68 -6.421 -2.186 -4.705 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.920 -2.247 -1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.614 -0.608 -3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.111 0.300 -3.536 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.034 -0.156 -1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.560 2.195 -0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.174 1.963 -2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.866 2.160 -2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.621 0.384 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.968 0.278 -0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.008 -1.170 -0.417 1.00 0.00 H new ATOM 1078 N LYS A 69 -9.263 -1.648 -1.463 1.00 0.00 N ATOM 1079 CA LYS A 69 -10.667 -1.397 -1.161 1.00 0.00 C ATOM 1080 C LYS A 69 -11.081 -0.002 -1.618 1.00 0.00 C ATOM 1081 O LYS A 69 -10.275 0.745 -2.173 1.00 0.00 O ATOM 1082 CB LYS A 69 -10.922 -1.550 0.340 1.00 0.00 C ATOM 1083 CG LYS A 69 -11.066 -2.994 0.788 1.00 0.00 C ATOM 1084 CD LYS A 69 -10.937 -3.125 2.296 1.00 0.00 C ATOM 1085 CE LYS A 69 -10.739 -4.574 2.715 1.00 0.00 C ATOM 1086 NZ LYS A 69 -12.036 -5.259 2.972 1.00 0.00 N ATOM 0 H LYS A 69 -8.721 -2.010 -0.678 1.00 0.00 H new ATOM 0 HA LYS A 69 -11.266 -2.130 -1.702 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.101 -1.088 0.888 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.828 -1.004 0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.035 -3.380 0.470 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.305 -3.604 0.302 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.095 -2.526 2.644 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.831 -2.726 2.775 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.195 -5.107 1.935 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.124 -4.611 3.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.858 -6.244 3.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.544 -4.766 3.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.613 -5.246 2.107 1.00 0.00 H new ATOM 1100 N ASP A 70 -12.342 0.344 -1.381 1.00 0.00 N ATOM 1101 CA ASP A 70 -12.862 1.650 -1.766 1.00 0.00 C ATOM 1102 C ASP A 70 -12.826 2.618 -0.587 1.00 0.00 C ATOM 1103 O ASP A 70 -12.492 3.793 -0.745 1.00 0.00 O ATOM 1104 CB ASP A 70 -14.292 1.519 -2.291 1.00 0.00 C ATOM 1105 CG ASP A 70 -14.489 0.271 -3.128 1.00 0.00 C ATOM 1106 OD1 ASP A 70 -14.658 -0.818 -2.540 1.00 0.00 O ATOM 1107 OD2 ASP A 70 -14.476 0.382 -4.372 1.00 0.00 O ATOM 0 H ASP A 70 -13.023 -0.263 -0.924 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.228 2.047 -2.559 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.985 1.502 -1.450 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.538 2.397 -2.889 1.00 0.00 H new ATOM 1112 N TYR A 71 -13.174 2.118 0.593 1.00 0.00 N ATOM 1113 CA TYR A 71 -13.185 2.939 1.798 1.00 0.00 C ATOM 1114 C TYR A 71 -11.772 3.370 2.177 1.00 0.00 C ATOM 1115 O TYR A 71 -11.539 4.520 2.548 1.00 0.00 O ATOM 1116 CB TYR A 71 -13.825 2.173 2.957 1.00 0.00 C ATOM 1117 CG TYR A 71 -12.824 1.459 3.836 1.00 0.00 C ATOM 1118 CD1 TYR A 71 -12.312 0.219 3.474 1.00 0.00 C ATOM 1119 CD2 TYR A 71 -12.391 2.023 5.029 1.00 0.00 C ATOM 1120 CE1 TYR A 71 -11.397 -0.438 4.275 1.00 0.00 C ATOM 1121 CE2 TYR A 71 -11.475 1.374 5.835 1.00 0.00 C ATOM 1122 CZ TYR A 71 -10.982 0.144 5.454 1.00 0.00 C ATOM 1123 OH TYR A 71 -10.071 -0.506 6.255 1.00 0.00 O ATOM 0 H TYR A 71 -13.452 1.148 0.741 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.775 3.832 1.592 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -14.401 2.869 3.567 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -14.528 1.444 2.555 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -12.635 -0.239 2.551 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.777 2.985 5.332 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.009 -1.402 3.979 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.147 1.828 6.758 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.884 0.040 7.047 1.00 0.00 H new ATOM 1133 N VAL A 72 -10.830 2.437 2.080 1.00 0.00 N ATOM 1134 CA VAL A 72 -9.438 2.718 2.411 1.00 0.00 C ATOM 1135 C VAL A 72 -8.947 3.972 1.697 1.00 0.00 C ATOM 1136 O VAL A 72 -8.139 4.730 2.235 1.00 0.00 O ATOM 1137 CB VAL A 72 -8.523 1.537 2.038 1.00 0.00 C ATOM 1138 CG1 VAL A 72 -7.061 1.917 2.216 1.00 0.00 C ATOM 1139 CG2 VAL A 72 -8.869 0.312 2.872 1.00 0.00 C ATOM 0 H VAL A 72 -11.006 1.480 1.775 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.394 2.875 3.489 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.685 1.292 0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.430 1.070 1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.824 2.764 1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.880 2.189 3.256 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.213 -0.513 2.596 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.737 0.542 3.929 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.905 0.028 2.689 1.00 0.00 H new ATOM 1149 N PHE A 73 -9.439 4.186 0.481 1.00 0.00 N ATOM 1150 CA PHE A 73 -9.050 5.348 -0.308 1.00 0.00 C ATOM 1151 C PHE A 73 -9.115 6.622 0.530 1.00 0.00 C ATOM 1152 O PHE A 73 -8.347 7.560 0.317 1.00 0.00 O ATOM 1153 CB PHE A 73 -9.954 5.485 -1.535 1.00 0.00 C ATOM 1154 CG PHE A 73 -9.708 4.434 -2.580 1.00 0.00 C ATOM 1155 CD1 PHE A 73 -8.418 4.115 -2.971 1.00 0.00 C ATOM 1156 CD2 PHE A 73 -10.768 3.767 -3.173 1.00 0.00 C ATOM 1157 CE1 PHE A 73 -8.189 3.149 -3.932 1.00 0.00 C ATOM 1158 CE2 PHE A 73 -10.545 2.800 -4.134 1.00 0.00 C ATOM 1159 CZ PHE A 73 -9.254 2.491 -4.515 1.00 0.00 C ATOM 0 H PHE A 73 -10.108 3.569 0.021 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.021 5.203 -0.638 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -10.995 5.433 -1.217 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.805 6.469 -1.979 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.581 4.627 -2.519 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.780 4.006 -2.881 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.178 2.909 -4.227 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.380 2.286 -4.587 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.078 1.736 -5.267 1.00 0.00 H new ATOM 1169 N LYS A 74 -10.040 6.647 1.484 1.00 0.00 N ATOM 1170 CA LYS A 74 -10.208 7.804 2.357 1.00 0.00 C ATOM 1171 C LYS A 74 -9.076 7.885 3.376 1.00 0.00 C ATOM 1172 O LYS A 74 -8.687 8.973 3.799 1.00 0.00 O ATOM 1173 CB LYS A 74 -11.555 7.732 3.079 1.00 0.00 C ATOM 1174 CG LYS A 74 -11.507 6.947 4.379 1.00 0.00 C ATOM 1175 CD LYS A 74 -12.877 6.863 5.030 1.00 0.00 C ATOM 1176 CE LYS A 74 -13.738 5.790 4.381 1.00 0.00 C ATOM 1177 NZ LYS A 74 -14.852 5.360 5.270 1.00 0.00 N ATOM 0 H LYS A 74 -10.685 5.880 1.672 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.182 8.702 1.739 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.900 8.744 3.288 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.290 7.276 2.416 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.133 5.942 4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.805 7.421 5.066 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.764 6.647 6.092 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.377 7.828 4.953 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.147 6.170 3.444 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.118 4.928 4.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.415 4.628 4.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.462 4.974 6.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.458 6.177 5.487 1.00 0.00 H new ATOM 1191 N GLU A 75 -8.551 6.727 3.764 1.00 0.00 N ATOM 1192 CA GLU A 75 -7.463 6.670 4.734 1.00 0.00 C ATOM 1193 C GLU A 75 -6.160 7.174 4.120 1.00 0.00 C ATOM 1194 O GLU A 75 -5.311 7.738 4.812 1.00 0.00 O ATOM 1195 CB GLU A 75 -7.279 5.239 5.243 1.00 0.00 C ATOM 1196 CG GLU A 75 -8.507 4.678 5.940 1.00 0.00 C ATOM 1197 CD GLU A 75 -8.164 3.600 6.949 1.00 0.00 C ATOM 1198 OE1 GLU A 75 -7.318 2.737 6.630 1.00 0.00 O ATOM 1199 OE2 GLU A 75 -8.740 3.617 8.057 1.00 0.00 O ATOM 0 H GLU A 75 -8.861 5.817 3.422 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.724 7.316 5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.022 4.594 4.403 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.436 5.214 5.934 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.035 5.487 6.444 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.188 4.269 5.194 1.00 0.00 H new ATOM 1206 N LEU A 76 -6.008 6.968 2.816 1.00 0.00 N ATOM 1207 CA LEU A 76 -4.809 7.400 2.107 1.00 0.00 C ATOM 1208 C LEU A 76 -4.423 8.821 2.507 1.00 0.00 C ATOM 1209 O LEU A 76 -5.199 9.527 3.149 1.00 0.00 O ATOM 1210 CB LEU A 76 -5.031 7.327 0.596 1.00 0.00 C ATOM 1211 CG LEU A 76 -5.112 5.922 -0.003 1.00 0.00 C ATOM 1212 CD1 LEU A 76 -5.632 5.980 -1.431 1.00 0.00 C ATOM 1213 CD2 LEU A 76 -3.750 5.244 0.044 1.00 0.00 C ATOM 0 H LEU A 76 -6.701 6.504 2.228 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.994 6.730 2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.954 7.855 0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.221 7.864 0.103 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.810 5.333 0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.683 4.971 -1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.627 6.425 -1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.959 6.585 -2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.826 4.245 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.031 5.832 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.416 5.169 1.079 1.00 0.00 H new ATOM 1225 N GLN A 77 -3.219 9.232 2.122 1.00 0.00 N ATOM 1226 CA GLN A 77 -2.731 10.569 2.440 1.00 0.00 C ATOM 1227 C GLN A 77 -2.368 11.332 1.170 1.00 0.00 C ATOM 1228 O GLN A 77 -1.426 10.970 0.465 1.00 0.00 O ATOM 1229 CB GLN A 77 -1.515 10.484 3.364 1.00 0.00 C ATOM 1230 CG GLN A 77 -1.739 9.609 4.587 1.00 0.00 C ATOM 1231 CD GLN A 77 -0.731 9.875 5.687 1.00 0.00 C ATOM 1232 OE1 GLN A 77 -0.931 10.749 6.531 1.00 0.00 O ATOM 1233 NE2 GLN A 77 0.361 9.119 5.684 1.00 0.00 N ATOM 0 H GLN A 77 -2.564 8.659 1.590 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.529 11.108 2.950 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.667 10.095 2.800 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.247 11.489 3.691 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.744 9.779 4.972 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -1.683 8.561 4.294 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.486 8.406 4.965 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.075 9.251 6.400 1.00 0.00 H new ATOM 1242 N ARG A 78 -3.121 12.389 0.885 1.00 0.00 N ATOM 1243 CA ARG A 78 -2.879 13.201 -0.301 1.00 0.00 C ATOM 1244 C ARG A 78 -1.437 13.698 -0.334 1.00 0.00 C ATOM 1245 O ARG A 78 -0.894 13.987 -1.401 1.00 0.00 O ATOM 1246 CB ARG A 78 -3.840 14.391 -0.335 1.00 0.00 C ATOM 1247 CG ARG A 78 -5.155 14.092 -1.037 1.00 0.00 C ATOM 1248 CD ARG A 78 -5.073 14.391 -2.525 1.00 0.00 C ATOM 1249 NE ARG A 78 -6.212 13.845 -3.258 1.00 0.00 N ATOM 1250 CZ ARG A 78 -6.579 14.263 -4.464 1.00 0.00 C ATOM 1251 NH1 ARG A 78 -5.900 15.227 -5.070 1.00 0.00 N ATOM 1252 NH2 ARG A 78 -7.627 13.716 -5.066 1.00 0.00 N ATOM 0 H ARG A 78 -3.904 12.703 1.459 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.051 12.578 -1.179 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.047 14.709 0.687 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.352 15.227 -0.836 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.417 13.044 -0.889 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.951 14.686 -0.589 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.029 15.470 -2.676 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.150 13.975 -2.928 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.756 13.102 -2.820 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.094 15.650 -4.610 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.184 15.546 -5.996 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.151 12.974 -4.603 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.908 14.038 -5.992 1.00 0.00 H new ATOM 1266 N ASP A 79 -0.823 13.796 0.840 1.00 0.00 N ATOM 1267 CA ASP A 79 0.556 14.258 0.945 1.00 0.00 C ATOM 1268 C ASP A 79 1.517 13.078 1.058 1.00 0.00 C ATOM 1269 O ASP A 79 2.569 13.180 1.689 1.00 0.00 O ATOM 1270 CB ASP A 79 0.717 15.180 2.155 1.00 0.00 C ATOM 1271 CG ASP A 79 0.479 14.460 3.467 1.00 0.00 C ATOM 1272 OD1 ASP A 79 -0.691 14.380 3.897 1.00 0.00 O ATOM 1273 OD2 ASP A 79 1.462 13.975 4.065 1.00 0.00 O ATOM 0 H ASP A 79 -1.258 13.562 1.732 1.00 0.00 H new ATOM 0 HA ASP A 79 0.797 14.815 0.039 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.721 15.604 2.154 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.019 16.013 2.069 1.00 0.00 H new ATOM 1278 N TRP A 80 1.147 11.960 0.445 1.00 0.00 N ATOM 1279 CA TRP A 80 1.976 10.760 0.478 1.00 0.00 C ATOM 1280 C TRP A 80 3.271 10.972 -0.298 1.00 0.00 C ATOM 1281 O TRP A 80 3.267 11.235 -1.501 1.00 0.00 O ATOM 1282 CB TRP A 80 1.209 9.570 -0.101 1.00 0.00 C ATOM 1283 CG TRP A 80 1.953 8.274 0.009 1.00 0.00 C ATOM 1284 CD1 TRP A 80 2.480 7.541 -1.016 1.00 0.00 C ATOM 1285 CD2 TRP A 80 2.252 7.557 1.212 1.00 0.00 C ATOM 1286 NE1 TRP A 80 3.088 6.411 -0.524 1.00 0.00 N ATOM 1287 CE2 TRP A 80 2.963 6.398 0.840 1.00 0.00 C ATOM 1288 CE3 TRP A 80 1.991 7.781 2.566 1.00 0.00 C ATOM 1289 CZ2 TRP A 80 3.412 5.469 1.775 1.00 0.00 C ATOM 1290 CZ3 TRP A 80 2.437 6.858 3.492 1.00 0.00 C ATOM 1291 CH2 TRP A 80 3.141 5.714 3.094 1.00 0.00 C ATOM 0 H TRP A 80 0.279 11.859 -0.081 1.00 0.00 H new ATOM 0 HA TRP A 80 2.228 10.550 1.518 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.253 9.477 0.415 1.00 0.00 H new ATOM 0 HB3 TRP A 80 0.987 9.766 -1.150 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.427 7.810 -2.061 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.556 5.698 -1.083 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.450 8.660 2.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 3.955 4.586 1.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.240 7.021 4.541 1.00 0.00 H new ATOM 0 HH2 TRP A 80 3.476 5.012 3.843 1.00 0.00 H new ATOM 1302 N PRO A 81 4.408 10.856 0.404 1.00 0.00 N ATOM 1303 CA PRO A 81 5.733 11.030 -0.200 1.00 0.00 C ATOM 1304 C PRO A 81 6.090 9.894 -1.152 1.00 0.00 C ATOM 1305 O PRO A 81 7.111 9.942 -1.836 1.00 0.00 O ATOM 1306 CB PRO A 81 6.675 11.032 1.007 1.00 0.00 C ATOM 1307 CG PRO A 81 5.950 10.261 2.055 1.00 0.00 C ATOM 1308 CD PRO A 81 4.489 10.544 1.841 1.00 0.00 C ATOM 0 HA PRO A 81 5.790 11.935 -0.804 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.631 10.568 0.764 1.00 0.00 H new ATOM 0 HB3 PRO A 81 6.890 12.047 1.340 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.158 9.194 1.969 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.265 10.567 3.053 1.00 0.00 H new ATOM 0 HD2 PRO A 81 3.871 9.684 2.101 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.148 11.379 2.453 1.00 0.00 H new ATOM 1316 N GLY A 82 5.240 8.872 -1.193 1.00 0.00 N ATOM 1317 CA GLY A 82 5.483 7.739 -2.066 1.00 0.00 C ATOM 1318 C GLY A 82 5.005 7.985 -3.483 1.00 0.00 C ATOM 1319 O GLY A 82 5.374 7.258 -4.405 1.00 0.00 O ATOM 0 H GLY A 82 4.387 8.809 -0.637 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.550 7.517 -2.079 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.980 6.860 -1.664 1.00 0.00 H new ATOM 1323 N TYR A 83 4.180 9.012 -3.657 1.00 0.00 N ATOM 1324 CA TYR A 83 3.647 9.349 -4.971 1.00 0.00 C ATOM 1325 C TYR A 83 4.511 10.404 -5.656 1.00 0.00 C ATOM 1326 O TYR A 83 4.615 11.537 -5.187 1.00 0.00 O ATOM 1327 CB TYR A 83 2.209 9.855 -4.847 1.00 0.00 C ATOM 1328 CG TYR A 83 1.260 8.842 -4.247 1.00 0.00 C ATOM 1329 CD1 TYR A 83 1.337 7.499 -4.595 1.00 0.00 C ATOM 1330 CD2 TYR A 83 0.286 9.228 -3.335 1.00 0.00 C ATOM 1331 CE1 TYR A 83 0.472 6.569 -4.050 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -0.582 8.305 -2.784 1.00 0.00 C ATOM 1333 CZ TYR A 83 -0.485 6.977 -3.145 1.00 0.00 C ATOM 1334 OH TYR A 83 -1.349 6.055 -2.600 1.00 0.00 O ATOM 0 H TYR A 83 3.866 9.625 -2.905 1.00 0.00 H new ATOM 0 HA TYR A 83 3.657 8.446 -5.581 1.00 0.00 H new ATOM 0 HB2 TYR A 83 2.201 10.756 -4.233 1.00 0.00 H new ATOM 0 HB3 TYR A 83 1.846 10.139 -5.835 1.00 0.00 H new ATOM 0 HD1 TYR A 83 2.086 7.176 -5.303 1.00 0.00 H new ATOM 0 HD2 TYR A 83 0.206 10.267 -3.052 1.00 0.00 H new ATOM 0 HE1 TYR A 83 0.545 5.529 -4.331 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -1.332 8.621 -2.075 1.00 0.00 H new ATOM 0 HH TYR A 83 -1.304 5.221 -3.113 1.00 0.00 H new ATOM 1344 N SER A 84 5.131 10.021 -6.768 1.00 0.00 N ATOM 1345 CA SER A 84 5.989 10.931 -7.516 1.00 0.00 C ATOM 1346 C SER A 84 5.157 11.935 -8.309 1.00 0.00 C ATOM 1347 O SER A 84 3.929 11.861 -8.326 1.00 0.00 O ATOM 1348 CB SER A 84 6.899 10.145 -8.463 1.00 0.00 C ATOM 1349 OG SER A 84 7.867 9.404 -7.741 1.00 0.00 O ATOM 0 H SER A 84 5.055 9.087 -7.170 1.00 0.00 H new ATOM 0 HA SER A 84 6.605 11.479 -6.803 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.299 9.469 -9.072 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.398 10.832 -9.147 1.00 0.00 H new ATOM 0 HG SER A 84 8.435 8.909 -8.368 1.00 0.00 H new ATOM 1355 N GLU A 85 5.837 12.871 -8.963 1.00 0.00 N ATOM 1356 CA GLU A 85 5.160 13.890 -9.757 1.00 0.00 C ATOM 1357 C GLU A 85 4.028 13.279 -10.577 1.00 0.00 C ATOM 1358 O GLU A 85 3.076 13.965 -10.950 1.00 0.00 O ATOM 1359 CB GLU A 85 6.156 14.590 -10.685 1.00 0.00 C ATOM 1360 CG GLU A 85 5.503 15.552 -11.664 1.00 0.00 C ATOM 1361 CD GLU A 85 6.470 16.056 -12.718 1.00 0.00 C ATOM 1362 OE1 GLU A 85 6.826 15.269 -13.620 1.00 0.00 O ATOM 1363 OE2 GLU A 85 6.870 17.236 -12.641 1.00 0.00 O ATOM 0 H GLU A 85 6.854 12.945 -8.959 1.00 0.00 H new ATOM 0 HA GLU A 85 4.734 14.623 -9.072 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.881 15.136 -10.081 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.710 13.836 -11.244 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.665 15.054 -12.153 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.094 16.401 -11.116 1.00 0.00 H new ATOM 1370 N ILE A 86 4.140 11.984 -10.855 1.00 0.00 N ATOM 1371 CA ILE A 86 3.126 11.280 -11.631 1.00 0.00 C ATOM 1372 C ILE A 86 2.082 10.642 -10.720 1.00 0.00 C ATOM 1373 O ILE A 86 0.903 10.992 -10.770 1.00 0.00 O ATOM 1374 CB ILE A 86 3.753 10.188 -12.517 1.00 0.00 C ATOM 1375 CG1 ILE A 86 5.053 10.695 -13.145 1.00 0.00 C ATOM 1376 CG2 ILE A 86 2.772 9.753 -13.596 1.00 0.00 C ATOM 1377 CD1 ILE A 86 4.907 12.028 -13.844 1.00 0.00 C ATOM 0 H ILE A 86 4.922 11.402 -10.555 1.00 0.00 H new ATOM 0 HA ILE A 86 2.645 12.022 -12.268 1.00 0.00 H new ATOM 0 HB ILE A 86 3.985 9.324 -11.894 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.812 10.783 -12.368 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.413 9.956 -13.861 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.230 8.981 -14.214 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.870 9.357 -13.129 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.512 10.609 -14.218 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.867 12.325 -14.265 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.172 11.941 -14.644 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.577 12.780 -13.128 1.00 0.00 H new ATOM 1389 N ASP A 87 2.524 9.705 -9.888 1.00 0.00 N ATOM 1390 CA ASP A 87 1.629 9.020 -8.963 1.00 0.00 C ATOM 1391 C ASP A 87 0.560 9.972 -8.435 1.00 0.00 C ATOM 1392 O ASP A 87 -0.636 9.716 -8.574 1.00 0.00 O ATOM 1393 CB ASP A 87 2.422 8.427 -7.797 1.00 0.00 C ATOM 1394 CG ASP A 87 3.464 7.426 -8.256 1.00 0.00 C ATOM 1395 OD1 ASP A 87 3.855 7.477 -9.441 1.00 0.00 O ATOM 1396 OD2 ASP A 87 3.888 6.590 -7.430 1.00 0.00 O ATOM 0 H ASP A 87 3.497 9.403 -9.835 1.00 0.00 H new ATOM 0 HA ASP A 87 1.136 8.213 -9.505 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.912 9.231 -7.248 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.735 7.941 -7.104 1.00 0.00 H new ATOM 1401 N ARG A 88 1.000 11.070 -7.829 1.00 0.00 N ATOM 1402 CA ARG A 88 0.082 12.059 -7.278 1.00 0.00 C ATOM 1403 C ARG A 88 -1.054 12.350 -8.255 1.00 0.00 C ATOM 1404 O ARG A 88 -2.226 12.141 -7.940 1.00 0.00 O ATOM 1405 CB ARG A 88 0.829 13.353 -6.949 1.00 0.00 C ATOM 1406 CG ARG A 88 1.882 13.189 -5.865 1.00 0.00 C ATOM 1407 CD ARG A 88 2.530 14.518 -5.512 1.00 0.00 C ATOM 1408 NE ARG A 88 1.773 15.243 -4.495 1.00 0.00 N ATOM 1409 CZ ARG A 88 2.077 16.471 -4.089 1.00 0.00 C ATOM 1410 NH1 ARG A 88 3.115 17.108 -4.612 1.00 0.00 N ATOM 1411 NH2 ARG A 88 1.340 17.064 -3.159 1.00 0.00 N ATOM 0 H ARG A 88 1.987 11.297 -7.707 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.344 11.651 -6.362 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.307 13.727 -7.854 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.109 14.108 -6.633 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.425 12.758 -4.974 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.646 12.488 -6.202 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.544 14.343 -5.153 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.611 15.131 -6.409 1.00 0.00 H new ATOM 0 HE ARG A 88 0.967 14.781 -4.073 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.683 16.656 -5.328 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.346 18.051 -4.298 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.540 16.577 -2.755 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.574 18.007 -2.848 1.00 0.00 H new ATOM 1425 N ARG A 89 -0.698 12.832 -9.441 1.00 0.00 N ATOM 1426 CA ARG A 89 -1.687 13.153 -10.463 1.00 0.00 C ATOM 1427 C ARG A 89 -2.476 11.911 -10.866 1.00 0.00 C ATOM 1428 O ARG A 89 -3.588 12.010 -11.384 1.00 0.00 O ATOM 1429 CB ARG A 89 -1.004 13.757 -11.692 1.00 0.00 C ATOM 1430 CG ARG A 89 -0.264 12.737 -12.541 1.00 0.00 C ATOM 1431 CD ARG A 89 -0.253 13.135 -14.008 1.00 0.00 C ATOM 1432 NE ARG A 89 -1.543 12.896 -14.650 1.00 0.00 N ATOM 1433 CZ ARG A 89 -1.741 12.992 -15.960 1.00 0.00 C ATOM 1434 NH1 ARG A 89 -0.739 13.320 -16.763 1.00 0.00 N ATOM 1435 NH2 ARG A 89 -2.944 12.759 -16.469 1.00 0.00 N ATOM 0 H ARG A 89 0.268 13.009 -9.718 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.380 13.883 -10.045 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.755 14.253 -12.307 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.301 14.524 -11.366 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.761 12.638 -12.182 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.736 11.760 -12.432 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.005 14.190 -14.095 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.521 12.573 -14.530 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.335 12.641 -14.060 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.187 13.499 -16.376 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.894 13.393 -17.768 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.718 12.506 -15.854 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.095 12.833 -17.475 1.00 0.00 H new ATOM 1449 N SER A 90 -1.892 10.741 -10.624 1.00 0.00 N ATOM 1450 CA SER A 90 -2.538 9.479 -10.966 1.00 0.00 C ATOM 1451 C SER A 90 -3.490 9.039 -9.858 1.00 0.00 C ATOM 1452 O SER A 90 -4.422 8.270 -10.093 1.00 0.00 O ATOM 1453 CB SER A 90 -1.487 8.395 -11.212 1.00 0.00 C ATOM 1454 OG SER A 90 -1.945 7.448 -12.162 1.00 0.00 O ATOM 0 H SER A 90 -0.973 10.641 -10.193 1.00 0.00 H new ATOM 0 HA SER A 90 -3.115 9.629 -11.878 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.563 8.853 -11.566 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.253 7.891 -10.274 1.00 0.00 H new ATOM 0 HG SER A 90 -1.255 6.766 -12.303 1.00 0.00 H new ATOM 1460 N LEU A 91 -3.248 9.532 -8.648 1.00 0.00 N ATOM 1461 CA LEU A 91 -4.082 9.191 -7.501 1.00 0.00 C ATOM 1462 C LEU A 91 -5.208 10.206 -7.326 1.00 0.00 C ATOM 1463 O LEU A 91 -6.318 9.852 -6.931 1.00 0.00 O ATOM 1464 CB LEU A 91 -3.235 9.128 -6.229 1.00 0.00 C ATOM 1465 CG LEU A 91 -3.950 9.493 -4.928 1.00 0.00 C ATOM 1466 CD1 LEU A 91 -3.342 8.738 -3.756 1.00 0.00 C ATOM 1467 CD2 LEU A 91 -3.888 10.994 -4.688 1.00 0.00 C ATOM 0 H LEU A 91 -2.481 10.170 -8.436 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.525 8.212 -7.684 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.838 8.118 -6.131 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.382 9.796 -6.351 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.997 9.203 -5.017 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.863 9.010 -2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.439 7.665 -3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.287 8.997 -3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.402 11.235 -3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.847 11.309 -4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.371 11.515 -5.515 1.00 0.00 H new ATOM 1479 N GLU A 92 -4.913 11.467 -7.626 1.00 0.00 N ATOM 1480 CA GLU A 92 -5.902 12.532 -7.503 1.00 0.00 C ATOM 1481 C GLU A 92 -7.153 12.209 -8.314 1.00 0.00 C ATOM 1482 O GLU A 92 -8.215 12.791 -8.095 1.00 0.00 O ATOM 1483 CB GLU A 92 -5.310 13.864 -7.968 1.00 0.00 C ATOM 1484 CG GLU A 92 -5.078 13.937 -9.468 1.00 0.00 C ATOM 1485 CD GLU A 92 -4.754 15.341 -9.940 1.00 0.00 C ATOM 1486 OE1 GLU A 92 -3.995 16.042 -9.238 1.00 0.00 O ATOM 1487 OE2 GLU A 92 -5.258 15.739 -11.011 1.00 0.00 O ATOM 0 H GLU A 92 -3.998 11.776 -7.956 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.182 12.613 -6.453 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.979 14.672 -7.673 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.363 14.030 -7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.260 13.269 -9.738 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.967 13.579 -9.987 1.00 0.00 H new ATOM 1494 N SER A 93 -7.020 11.276 -9.252 1.00 0.00 N ATOM 1495 CA SER A 93 -8.138 10.878 -10.099 1.00 0.00 C ATOM 1496 C SER A 93 -8.942 9.758 -9.446 1.00 0.00 C ATOM 1497 O SER A 93 -10.120 9.925 -9.132 1.00 0.00 O ATOM 1498 CB SER A 93 -7.631 10.426 -11.470 1.00 0.00 C ATOM 1499 OG SER A 93 -8.595 10.673 -12.478 1.00 0.00 O ATOM 0 H SER A 93 -6.149 10.782 -9.444 1.00 0.00 H new ATOM 0 HA SER A 93 -8.790 11.742 -10.228 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.707 10.951 -11.710 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.395 9.362 -11.441 1.00 0.00 H new ATOM 0 HG SER A 93 -8.246 10.377 -13.344 1.00 0.00 H new ATOM 1505 N VAL A 94 -8.295 8.614 -9.245 1.00 0.00 N ATOM 1506 CA VAL A 94 -8.948 7.465 -8.629 1.00 0.00 C ATOM 1507 C VAL A 94 -9.731 7.878 -7.388 1.00 0.00 C ATOM 1508 O VAL A 94 -10.849 7.413 -7.162 1.00 0.00 O ATOM 1509 CB VAL A 94 -7.926 6.380 -8.242 1.00 0.00 C ATOM 1510 CG1 VAL A 94 -7.245 6.733 -6.929 1.00 0.00 C ATOM 1511 CG2 VAL A 94 -8.602 5.020 -8.152 1.00 0.00 C ATOM 0 H VAL A 94 -7.320 8.458 -9.500 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.636 7.057 -9.369 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.163 6.331 -9.018 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -6.526 5.955 -6.671 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -6.727 7.686 -7.033 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -7.993 6.811 -6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.865 4.265 -7.878 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.387 5.053 -7.396 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.039 4.766 -9.118 1.00 0.00 H new ATOM 1521 N LEU A 95 -9.136 8.754 -6.585 1.00 0.00 N ATOM 1522 CA LEU A 95 -9.778 9.231 -5.365 1.00 0.00 C ATOM 1523 C LEU A 95 -10.953 10.147 -5.690 1.00 0.00 C ATOM 1524 O LEU A 95 -11.876 10.296 -4.890 1.00 0.00 O ATOM 1525 CB LEU A 95 -8.765 9.972 -4.490 1.00 0.00 C ATOM 1526 CG LEU A 95 -7.536 9.171 -4.060 1.00 0.00 C ATOM 1527 CD1 LEU A 95 -6.610 10.029 -3.212 1.00 0.00 C ATOM 1528 CD2 LEU A 95 -7.953 7.921 -3.300 1.00 0.00 C ATOM 0 H LEU A 95 -8.211 9.148 -6.757 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.156 8.366 -4.820 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.427 10.856 -5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.277 10.323 -3.594 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.995 8.864 -4.955 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.741 9.442 -2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.284 10.894 -3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.141 10.367 -2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.065 7.363 -3.002 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.517 8.206 -2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.576 7.296 -3.941 1.00 0.00 H new ATOM 1540 N SER A 96 -10.913 10.757 -6.870 1.00 0.00 N ATOM 1541 CA SER A 96 -11.974 11.660 -7.301 1.00 0.00 C ATOM 1542 C SER A 96 -13.174 10.877 -7.825 1.00 0.00 C ATOM 1543 O SER A 96 -14.322 11.211 -7.533 1.00 0.00 O ATOM 1544 CB SER A 96 -11.457 12.608 -8.385 1.00 0.00 C ATOM 1545 OG SER A 96 -12.241 13.787 -8.447 1.00 0.00 O ATOM 0 H SER A 96 -10.157 10.642 -7.545 1.00 0.00 H new ATOM 0 HA SER A 96 -12.292 12.245 -6.438 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.419 12.868 -8.180 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.475 12.104 -9.352 1.00 0.00 H new ATOM 0 HG SER A 96 -11.890 14.377 -9.146 1.00 0.00 H new ATOM 1551 N ARG A 97 -12.899 9.833 -8.601 1.00 0.00 N ATOM 1552 CA ARG A 97 -13.955 9.003 -9.167 1.00 0.00 C ATOM 1553 C ARG A 97 -14.554 8.086 -8.105 1.00 0.00 C ATOM 1554 O ARG A 97 -15.752 7.802 -8.118 1.00 0.00 O ATOM 1555 CB ARG A 97 -13.409 8.168 -10.327 1.00 0.00 C ATOM 1556 CG ARG A 97 -12.319 8.868 -11.121 1.00 0.00 C ATOM 1557 CD ARG A 97 -12.296 8.402 -12.569 1.00 0.00 C ATOM 1558 NE ARG A 97 -11.496 9.283 -13.415 1.00 0.00 N ATOM 1559 CZ ARG A 97 -11.463 9.198 -14.740 1.00 0.00 C ATOM 1560 NH1 ARG A 97 -12.181 8.277 -15.367 1.00 0.00 N ATOM 1561 NH2 ARG A 97 -10.710 10.036 -15.442 1.00 0.00 N ATOM 0 H ARG A 97 -11.954 9.542 -8.852 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.740 9.661 -9.539 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.016 7.230 -9.935 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -14.229 7.914 -10.998 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.478 9.946 -11.087 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -11.350 8.674 -10.660 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -11.894 7.390 -12.618 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -13.316 8.359 -12.952 1.00 0.00 H new ATOM 0 HE ARG A 97 -10.932 10.003 -12.964 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -12.761 7.631 -14.832 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -12.153 8.214 -16.385 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -10.156 10.746 -14.964 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -10.686 9.970 -16.460 1.00 0.00 H new ATOM 1575 N LYS A 98 -13.712 7.625 -7.186 1.00 0.00 N ATOM 1576 CA LYS A 98 -14.157 6.740 -6.115 1.00 0.00 C ATOM 1577 C LYS A 98 -14.963 7.510 -5.073 1.00 0.00 C ATOM 1578 O LYS A 98 -16.111 7.170 -4.786 1.00 0.00 O ATOM 1579 CB LYS A 98 -12.955 6.066 -5.450 1.00 0.00 C ATOM 1580 CG LYS A 98 -12.219 5.099 -6.361 1.00 0.00 C ATOM 1581 CD LYS A 98 -12.922 3.753 -6.431 1.00 0.00 C ATOM 1582 CE LYS A 98 -12.149 2.765 -7.290 1.00 0.00 C ATOM 1583 NZ LYS A 98 -12.810 1.431 -7.331 1.00 0.00 N ATOM 0 H LYS A 98 -12.717 7.850 -7.161 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.798 5.975 -6.552 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -12.260 6.834 -5.112 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.294 5.530 -4.563 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -12.146 5.525 -7.362 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.200 4.960 -5.999 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -13.038 3.349 -5.425 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -13.924 3.885 -6.839 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.059 3.157 -8.303 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.137 2.657 -6.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.253 0.786 -7.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.873 1.045 -6.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.766 1.529 -7.728 1.00 0.00 H new ATOM 1597 N LEU A 99 -14.354 8.548 -4.511 1.00 0.00 N ATOM 1598 CA LEU A 99 -15.016 9.368 -3.501 1.00 0.00 C ATOM 1599 C LEU A 99 -16.003 10.335 -4.146 1.00 0.00 C ATOM 1600 O LEU A 99 -15.630 11.429 -4.568 1.00 0.00 O ATOM 1601 CB LEU A 99 -13.979 10.146 -2.689 1.00 0.00 C ATOM 1602 CG LEU A 99 -12.892 9.310 -2.011 1.00 0.00 C ATOM 1603 CD1 LEU A 99 -11.704 10.182 -1.637 1.00 0.00 C ATOM 1604 CD2 LEU A 99 -13.449 8.608 -0.781 1.00 0.00 C ATOM 0 H LEU A 99 -13.404 8.842 -4.737 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.568 8.705 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -13.496 10.867 -3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -14.502 10.717 -1.922 1.00 0.00 H new ATOM 0 HG LEU A 99 -12.552 8.551 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -10.941 9.570 -1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -11.290 10.638 -2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -12.028 10.964 -0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -12.662 8.018 -0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -13.817 9.351 -0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -14.268 7.952 -1.076 1.00 0.00 H new ATOM 1616 N ASN A 100 -17.265 9.924 -4.217 1.00 0.00 N ATOM 1617 CA ASN A 100 -18.307 10.755 -4.809 1.00 0.00 C ATOM 1618 C ASN A 100 -18.446 12.074 -4.055 1.00 0.00 C ATOM 1619 O ASN A 100 -18.039 13.127 -4.546 1.00 0.00 O ATOM 1620 CB ASN A 100 -19.644 10.011 -4.808 1.00 0.00 C ATOM 1621 CG ASN A 100 -20.290 9.985 -3.436 1.00 0.00 C ATOM 1622 OD1 ASN A 100 -19.733 9.433 -2.487 1.00 0.00 O ATOM 1623 ND2 ASN A 100 -21.470 10.583 -3.326 1.00 0.00 N ATOM 0 H ASN A 100 -17.591 9.021 -3.872 1.00 0.00 H new ATOM 0 HA ASN A 100 -18.021 10.974 -5.838 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -20.322 10.487 -5.517 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -19.488 8.989 -5.153 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -21.953 10.598 -2.427 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -21.894 11.028 -4.140 1.00 0.00 H new TER 1630 ASN A 100