USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 799 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 39 GLN : amide:sc= -5.19! C(o=-4.5!,f=-5.3!) USER MOD Set 1.2: A 59 TYR OH : rot -122:sc= 0.685 USER MOD Set 2.1: A 14 SER OG : rot 180:sc= -0.892 USER MOD Set 2.2: A 94 SER OG : rot 180:sc= 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 8 SER OG : rot 48:sc= 0.331 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -1.01! USER MOD Single : A 35 ASN : amide:sc= -1.68! C(o=-1.7!,f=-5.2!) USER MOD Single : A 36 THR OG1 : rot 98:sc= 0.13 USER MOD Single : A 41 HIS : no HD1:sc= -0.0206 X(o=-0.021,f=-0.16) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 CYS SG : rot -92:sc= 0.709 USER MOD Single : A 48 SER OG : rot -174:sc= 0.44 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -92:sc= 0.746 USER MOD Single : A 64 GLN : amide:sc= -0.412 K(o=-0.41,f=-3.1!) USER MOD Single : A 68 CYS SG : rot 160:sc= -1.49 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 147:sc= -0.83 (180deg=-3.92!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -153:sc= -2.14 (180deg=-5.2!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HD1:sc= -0.256 X(o=-0.26,f=-0.45) USER MOD Single : A 104 ASN : amide:sc= -1.42 K(o=-1.4,f=-3.5!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.194 17.042 -12.255 1.00 0.00 N ATOM 2 CA GLY A 1 -15.783 16.789 -12.017 1.00 0.00 C ATOM 3 C GLY A 1 -15.111 18.001 -11.368 1.00 0.00 C ATOM 4 O GLY A 1 -14.916 18.031 -10.154 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.627 16.205 -12.696 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.668 17.242 -11.351 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.298 17.860 -12.889 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.670 15.917 -11.372 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.288 16.555 -12.959 1.00 0.00 H new ATOM 8 N SER A 2 -14.774 18.970 -12.207 1.00 0.00 N ATOM 9 CA SER A 2 -14.128 20.181 -11.730 1.00 0.00 C ATOM 10 C SER A 2 -14.624 21.388 -12.528 1.00 0.00 C ATOM 11 O SER A 2 -15.121 21.238 -13.643 1.00 0.00 O ATOM 12 CB SER A 2 -12.605 20.068 -11.829 1.00 0.00 C ATOM 13 OG SER A 2 -11.971 20.279 -10.571 1.00 0.00 O ATOM 0 H SER A 2 -14.936 18.941 -13.214 1.00 0.00 H new ATOM 0 HA SER A 2 -14.388 20.317 -10.680 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.339 19.081 -12.208 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.233 20.797 -12.549 1.00 0.00 H new ATOM 0 HG SER A 2 -11.000 20.197 -10.676 1.00 0.00 H new ATOM 19 N SER A 3 -14.472 22.558 -11.926 1.00 0.00 N ATOM 20 CA SER A 3 -14.898 23.791 -12.567 1.00 0.00 C ATOM 21 C SER A 3 -14.164 24.983 -11.950 1.00 0.00 C ATOM 22 O SER A 3 -13.665 24.896 -10.829 1.00 0.00 O ATOM 23 CB SER A 3 -16.412 23.980 -12.446 1.00 0.00 C ATOM 24 OG SER A 3 -16.983 24.495 -13.646 1.00 0.00 O ATOM 0 H SER A 3 -14.060 22.679 -11.001 1.00 0.00 H new ATOM 0 HA SER A 3 -14.650 23.729 -13.627 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.878 23.025 -12.203 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.628 24.659 -11.621 1.00 0.00 H new ATOM 0 HG SER A 3 -17.950 24.600 -13.529 1.00 0.00 H new ATOM 30 N GLY A 4 -14.121 26.068 -12.709 1.00 0.00 N ATOM 31 CA GLY A 4 -13.456 27.276 -12.251 1.00 0.00 C ATOM 32 C GLY A 4 -12.301 27.653 -13.182 1.00 0.00 C ATOM 33 O GLY A 4 -12.325 27.330 -14.369 1.00 0.00 O ATOM 0 H GLY A 4 -14.536 26.136 -13.638 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.173 28.095 -12.206 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.078 27.126 -11.239 1.00 0.00 H new ATOM 37 N SER A 5 -11.318 28.330 -12.608 1.00 0.00 N ATOM 38 CA SER A 5 -10.157 28.755 -13.372 1.00 0.00 C ATOM 39 C SER A 5 -8.878 28.228 -12.716 1.00 0.00 C ATOM 40 O SER A 5 -8.807 28.109 -11.494 1.00 0.00 O ATOM 41 CB SER A 5 -10.103 30.279 -13.491 1.00 0.00 C ATOM 42 OG SER A 5 -9.590 30.889 -12.310 1.00 0.00 O ATOM 0 H SER A 5 -11.301 28.595 -11.623 1.00 0.00 H new ATOM 0 HA SER A 5 -10.239 28.342 -14.377 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.479 30.554 -14.341 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.103 30.663 -13.692 1.00 0.00 H new ATOM 0 HG SER A 5 -9.570 31.862 -12.427 1.00 0.00 H new ATOM 48 N SER A 6 -7.901 27.927 -13.558 1.00 0.00 N ATOM 49 CA SER A 6 -6.629 27.416 -13.076 1.00 0.00 C ATOM 50 C SER A 6 -5.558 27.570 -14.158 1.00 0.00 C ATOM 51 O SER A 6 -5.607 26.896 -15.185 1.00 0.00 O ATOM 52 CB SER A 6 -6.749 25.950 -12.653 1.00 0.00 C ATOM 53 OG SER A 6 -5.480 25.304 -12.603 1.00 0.00 O ATOM 0 H SER A 6 -7.964 28.027 -14.571 1.00 0.00 H new ATOM 0 HA SER A 6 -6.338 27.996 -12.201 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.224 25.893 -11.674 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.397 25.422 -13.353 1.00 0.00 H new ATOM 0 HG SER A 6 -5.599 24.371 -12.328 1.00 0.00 H new ATOM 59 N GLY A 7 -4.616 28.463 -13.890 1.00 0.00 N ATOM 60 CA GLY A 7 -3.536 28.715 -14.828 1.00 0.00 C ATOM 61 C GLY A 7 -3.007 27.407 -15.420 1.00 0.00 C ATOM 62 O GLY A 7 -3.381 27.028 -16.529 1.00 0.00 O ATOM 0 H GLY A 7 -4.579 29.021 -13.037 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.889 29.364 -15.629 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.727 29.243 -14.323 1.00 0.00 H new ATOM 66 N SER A 8 -2.147 26.753 -14.654 1.00 0.00 N ATOM 67 CA SER A 8 -1.563 25.495 -15.089 1.00 0.00 C ATOM 68 C SER A 8 -0.591 24.975 -14.028 1.00 0.00 C ATOM 69 O SER A 8 0.614 25.204 -14.121 1.00 0.00 O ATOM 70 CB SER A 8 -0.849 25.655 -16.432 1.00 0.00 C ATOM 71 OG SER A 8 0.099 26.718 -16.409 1.00 0.00 O ATOM 0 H SER A 8 -1.840 27.070 -13.734 1.00 0.00 H new ATOM 0 HA SER A 8 -2.367 24.771 -15.221 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.343 24.724 -16.687 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.585 25.842 -17.214 1.00 0.00 H new ATOM 0 HG SER A 8 0.654 26.644 -15.604 1.00 0.00 H new ATOM 77 N ALA A 9 -1.150 24.285 -13.045 1.00 0.00 N ATOM 78 CA ALA A 9 -0.347 23.731 -11.968 1.00 0.00 C ATOM 79 C ALA A 9 -1.118 22.594 -11.296 1.00 0.00 C ATOM 80 O ALA A 9 -1.921 22.831 -10.395 1.00 0.00 O ATOM 81 CB ALA A 9 0.027 24.843 -10.986 1.00 0.00 C ATOM 0 H ALA A 9 -2.150 24.097 -12.972 1.00 0.00 H new ATOM 0 HA ALA A 9 0.582 23.314 -12.357 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.629 24.428 -10.178 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.599 25.611 -11.507 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.880 25.284 -10.573 1.00 0.00 H new ATOM 87 N SER A 10 -0.848 21.383 -11.760 1.00 0.00 N ATOM 88 CA SER A 10 -1.506 20.208 -11.215 1.00 0.00 C ATOM 89 C SER A 10 -0.819 18.939 -11.723 1.00 0.00 C ATOM 90 O SER A 10 -0.304 18.913 -12.840 1.00 0.00 O ATOM 91 CB SER A 10 -2.992 20.189 -11.581 1.00 0.00 C ATOM 92 OG SER A 10 -3.624 18.975 -11.187 1.00 0.00 O ATOM 0 H SER A 10 -0.182 21.190 -12.508 1.00 0.00 H new ATOM 0 HA SER A 10 -1.427 20.246 -10.129 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.494 21.030 -11.103 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.102 20.322 -12.657 1.00 0.00 H new ATOM 0 HG SER A 10 -4.571 19.003 -11.437 1.00 0.00 H new ATOM 98 N LYS A 11 -0.833 17.918 -10.879 1.00 0.00 N ATOM 99 CA LYS A 11 -0.217 16.649 -11.229 1.00 0.00 C ATOM 100 C LYS A 11 -1.207 15.814 -12.044 1.00 0.00 C ATOM 101 O LYS A 11 -2.419 15.977 -11.910 1.00 0.00 O ATOM 102 CB LYS A 11 0.299 15.940 -9.975 1.00 0.00 C ATOM 103 CG LYS A 11 -0.832 15.200 -9.259 1.00 0.00 C ATOM 104 CD LYS A 11 -0.883 15.579 -7.777 1.00 0.00 C ATOM 105 CE LYS A 11 -2.327 15.774 -7.310 1.00 0.00 C ATOM 106 NZ LYS A 11 -2.378 16.701 -6.158 1.00 0.00 N ATOM 0 H LYS A 11 -1.261 17.943 -9.954 1.00 0.00 H new ATOM 0 HA LYS A 11 0.658 16.811 -11.858 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.084 15.235 -10.249 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.747 16.669 -9.299 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.784 15.439 -9.732 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.688 14.124 -9.358 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.407 14.800 -7.182 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.317 16.496 -7.613 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.930 16.168 -8.128 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.758 14.813 -7.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.365 16.822 -5.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.819 16.310 -5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.986 17.623 -6.437 1.00 0.00 H new ATOM 120 N ARG A 12 -0.654 14.939 -12.870 1.00 0.00 N ATOM 121 CA ARG A 12 -1.473 14.078 -13.706 1.00 0.00 C ATOM 122 C ARG A 12 -1.387 12.629 -13.222 1.00 0.00 C ATOM 123 O ARG A 12 -0.338 12.188 -12.756 1.00 0.00 O ATOM 124 CB ARG A 12 -1.029 14.146 -15.169 1.00 0.00 C ATOM 125 CG ARG A 12 -2.105 14.800 -16.038 1.00 0.00 C ATOM 126 CD ARG A 12 -2.651 13.811 -17.070 1.00 0.00 C ATOM 127 NE ARG A 12 -1.821 13.848 -18.295 1.00 0.00 N ATOM 128 CZ ARG A 12 -1.968 13.006 -19.328 1.00 0.00 C ATOM 129 NH1 ARG A 12 -2.914 12.058 -19.289 1.00 0.00 N ATOM 130 NH2 ARG A 12 -1.170 13.114 -20.398 1.00 0.00 N ATOM 0 H ARG A 12 0.352 14.807 -12.978 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.502 14.429 -13.633 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.101 14.712 -15.245 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.820 13.141 -15.537 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.918 15.159 -15.407 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.688 15.669 -16.547 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.655 12.804 -16.654 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.684 14.060 -17.313 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.092 14.558 -18.357 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.522 11.977 -18.474 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.026 11.417 -20.074 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.451 13.837 -20.427 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.281 12.474 -21.184 1.00 0.00 H new ATOM 144 N TRP A 13 -2.505 11.929 -13.348 1.00 0.00 N ATOM 145 CA TRP A 13 -2.569 10.539 -12.929 1.00 0.00 C ATOM 146 C TRP A 13 -2.955 9.696 -14.146 1.00 0.00 C ATOM 147 O TRP A 13 -3.950 9.978 -14.811 1.00 0.00 O ATOM 148 CB TRP A 13 -3.531 10.365 -11.752 1.00 0.00 C ATOM 149 CG TRP A 13 -3.082 11.073 -10.472 1.00 0.00 C ATOM 150 CD1 TRP A 13 -2.983 12.391 -10.249 1.00 0.00 C ATOM 151 CD2 TRP A 13 -2.673 10.443 -9.239 1.00 0.00 C ATOM 152 NE1 TRP A 13 -2.542 12.655 -8.968 1.00 0.00 N ATOM 153 CE2 TRP A 13 -2.347 11.433 -8.335 1.00 0.00 C ATOM 154 CE3 TRP A 13 -2.581 9.082 -8.900 1.00 0.00 C ATOM 155 CZ2 TRP A 13 -1.908 11.167 -7.032 1.00 0.00 C ATOM 156 CZ3 TRP A 13 -2.141 8.832 -7.595 1.00 0.00 C ATOM 157 CH2 TRP A 13 -1.809 9.818 -6.672 1.00 0.00 C ATOM 0 H TRP A 13 -3.374 12.298 -13.734 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.599 10.201 -12.564 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -4.512 10.743 -12.039 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -3.647 9.301 -11.545 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -3.219 13.151 -10.980 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -2.388 13.577 -8.561 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.830 8.291 -9.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.659 11.960 -6.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -2.053 7.802 -7.283 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.476 9.544 -5.682 1.00 0.00 H new ATOM 168 N SER A 14 -2.146 8.678 -14.400 1.00 0.00 N ATOM 169 CA SER A 14 -2.390 7.791 -15.525 1.00 0.00 C ATOM 170 C SER A 14 -3.714 7.050 -15.330 1.00 0.00 C ATOM 171 O SER A 14 -4.388 7.231 -14.316 1.00 0.00 O ATOM 172 CB SER A 14 -1.244 6.793 -15.699 1.00 0.00 C ATOM 173 OG SER A 14 -1.604 5.485 -15.261 1.00 0.00 O ATOM 0 H SER A 14 -1.321 8.448 -13.846 1.00 0.00 H new ATOM 0 HA SER A 14 -2.449 8.396 -16.430 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.951 6.756 -16.748 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.375 7.137 -15.138 1.00 0.00 H new ATOM 0 HG SER A 14 -0.847 4.877 -15.390 1.00 0.00 H new ATOM 179 N PRO A 15 -4.058 6.210 -16.343 1.00 0.00 N ATOM 180 CA PRO A 15 -5.289 5.441 -16.292 1.00 0.00 C ATOM 181 C PRO A 15 -5.165 4.269 -15.316 1.00 0.00 C ATOM 182 O PRO A 15 -4.083 3.709 -15.148 1.00 0.00 O ATOM 183 CB PRO A 15 -5.535 4.996 -17.725 1.00 0.00 C ATOM 184 CG PRO A 15 -4.200 5.135 -18.439 1.00 0.00 C ATOM 185 CD PRO A 15 -3.285 5.970 -17.558 1.00 0.00 C ATOM 0 HA PRO A 15 -6.132 6.023 -15.919 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.891 3.966 -17.759 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.298 5.613 -18.200 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.762 4.154 -18.623 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.334 5.612 -19.410 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.357 5.442 -17.339 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.012 6.906 -18.045 1.00 0.00 H new ATOM 193 N PRO A 16 -6.317 3.925 -14.681 1.00 0.00 N ATOM 194 CA PRO A 16 -6.347 2.830 -13.726 1.00 0.00 C ATOM 195 C PRO A 16 -6.295 1.478 -14.440 1.00 0.00 C ATOM 196 O PRO A 16 -6.812 1.336 -15.547 1.00 0.00 O ATOM 197 CB PRO A 16 -7.627 3.035 -12.933 1.00 0.00 C ATOM 198 CG PRO A 16 -8.495 3.958 -13.773 1.00 0.00 C ATOM 199 CD PRO A 16 -7.617 4.566 -14.855 1.00 0.00 C ATOM 0 HA PRO A 16 -5.481 2.825 -13.064 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.130 2.085 -12.751 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.416 3.476 -11.959 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.322 3.404 -14.218 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.933 4.740 -13.152 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.023 4.375 -15.848 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.543 5.648 -14.744 1.00 0.00 H new ATOM 207 N ARG A 17 -5.667 0.518 -13.776 1.00 0.00 N ATOM 208 CA ARG A 17 -5.542 -0.818 -14.334 1.00 0.00 C ATOM 209 C ARG A 17 -6.389 -1.809 -13.533 1.00 0.00 C ATOM 210 O ARG A 17 -6.271 -1.885 -12.311 1.00 0.00 O ATOM 211 CB ARG A 17 -4.084 -1.282 -14.328 1.00 0.00 C ATOM 212 CG ARG A 17 -3.304 -0.628 -13.185 1.00 0.00 C ATOM 213 CD ARG A 17 -1.841 -1.074 -13.194 1.00 0.00 C ATOM 214 NE ARG A 17 -1.163 -0.564 -14.407 1.00 0.00 N ATOM 215 CZ ARG A 17 -0.599 0.648 -14.499 1.00 0.00 C ATOM 216 NH1 ARG A 17 -0.628 1.482 -13.451 1.00 0.00 N ATOM 217 NH2 ARG A 17 -0.007 1.025 -15.640 1.00 0.00 N ATOM 0 H ARG A 17 -5.240 0.639 -12.858 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.896 -0.782 -15.364 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.044 -2.366 -14.226 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.616 -1.034 -15.281 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.358 0.457 -13.277 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.762 -0.890 -12.231 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.334 -0.705 -12.302 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.784 -2.162 -13.166 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.123 -1.173 -15.224 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.079 1.194 -12.583 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.199 2.405 -13.521 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.014 0.390 -16.438 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.423 1.947 -15.711 1.00 0.00 H new ATOM 231 N GLY A 18 -7.223 -2.543 -14.254 1.00 0.00 N ATOM 232 CA GLY A 18 -8.089 -3.526 -13.626 1.00 0.00 C ATOM 233 C GLY A 18 -7.327 -4.820 -13.331 1.00 0.00 C ATOM 234 O GLY A 18 -7.068 -5.613 -14.235 1.00 0.00 O ATOM 0 H GLY A 18 -7.318 -2.477 -15.267 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.495 -3.119 -12.700 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.936 -3.739 -14.278 1.00 0.00 H new ATOM 238 N ILE A 19 -6.988 -4.993 -12.062 1.00 0.00 N ATOM 239 CA ILE A 19 -6.261 -6.177 -11.636 1.00 0.00 C ATOM 240 C ILE A 19 -7.252 -7.219 -11.115 1.00 0.00 C ATOM 241 O ILE A 19 -8.277 -6.870 -10.531 1.00 0.00 O ATOM 242 CB ILE A 19 -5.174 -5.803 -10.626 1.00 0.00 C ATOM 243 CG1 ILE A 19 -4.535 -4.459 -10.980 1.00 0.00 C ATOM 244 CG2 ILE A 19 -4.134 -6.918 -10.503 1.00 0.00 C ATOM 245 CD1 ILE A 19 -3.306 -4.190 -10.109 1.00 0.00 C ATOM 0 H ILE A 19 -7.203 -4.333 -11.315 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.739 -6.628 -12.480 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.641 -5.689 -9.648 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.248 -4.454 -12.032 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.263 -3.659 -10.845 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.373 -6.627 -9.779 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.621 -7.834 -10.169 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.666 -7.088 -11.473 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.871 -3.228 -10.381 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.601 -4.171 -9.060 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.570 -4.979 -10.265 1.00 0.00 H new ATOM 257 N HIS A 20 -6.912 -8.479 -11.346 1.00 0.00 N ATOM 258 CA HIS A 20 -7.760 -9.575 -10.908 1.00 0.00 C ATOM 259 C HIS A 20 -6.926 -10.582 -10.112 1.00 0.00 C ATOM 260 O HIS A 20 -6.070 -11.264 -10.673 1.00 0.00 O ATOM 261 CB HIS A 20 -8.483 -10.212 -12.096 1.00 0.00 C ATOM 262 CG HIS A 20 -7.727 -10.113 -13.400 1.00 0.00 C ATOM 263 ND1 HIS A 20 -8.158 -9.333 -14.459 1.00 0.00 N ATOM 264 CD2 HIS A 20 -6.564 -10.701 -13.803 1.00 0.00 C ATOM 265 CE1 HIS A 20 -7.287 -9.456 -15.450 1.00 0.00 C ATOM 266 NE2 HIS A 20 -6.301 -10.305 -15.042 1.00 0.00 N ATOM 0 H HIS A 20 -6.061 -8.765 -11.831 1.00 0.00 H new ATOM 0 HA HIS A 20 -8.538 -9.195 -10.246 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.669 -11.263 -11.874 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.456 -9.735 -12.215 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -5.960 -11.375 -13.214 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -7.347 -8.969 -16.412 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -5.494 -10.589 -15.598 1.00 0.00 H new ATOM 274 N PHE A 21 -7.206 -10.642 -8.819 1.00 0.00 N ATOM 275 CA PHE A 21 -6.493 -11.554 -7.941 1.00 0.00 C ATOM 276 C PHE A 21 -7.319 -11.873 -6.693 1.00 0.00 C ATOM 277 O PHE A 21 -8.382 -11.290 -6.482 1.00 0.00 O ATOM 278 CB PHE A 21 -5.203 -10.849 -7.516 1.00 0.00 C ATOM 279 CG PHE A 21 -5.424 -9.650 -6.593 1.00 0.00 C ATOM 280 CD1 PHE A 21 -5.660 -9.846 -5.268 1.00 0.00 C ATOM 281 CD2 PHE A 21 -5.384 -8.387 -7.097 1.00 0.00 C ATOM 282 CE1 PHE A 21 -5.865 -8.732 -4.411 1.00 0.00 C ATOM 283 CE2 PHE A 21 -5.589 -7.274 -6.240 1.00 0.00 C ATOM 284 CZ PHE A 21 -5.825 -7.470 -4.915 1.00 0.00 C ATOM 0 H PHE A 21 -7.917 -10.074 -8.358 1.00 0.00 H new ATOM 0 HA PHE A 21 -6.293 -12.491 -8.462 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.557 -11.568 -7.012 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.673 -10.515 -8.408 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.692 -10.849 -4.868 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.196 -8.231 -8.149 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.053 -8.888 -3.359 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.558 -6.271 -6.640 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.981 -6.623 -4.263 1.00 0.00 H new ATOM 294 N THR A 22 -6.801 -12.799 -5.900 1.00 0.00 N ATOM 295 CA THR A 22 -7.478 -13.202 -4.679 1.00 0.00 C ATOM 296 C THR A 22 -6.693 -12.731 -3.453 1.00 0.00 C ATOM 297 O THR A 22 -5.472 -12.868 -3.403 1.00 0.00 O ATOM 298 CB THR A 22 -7.675 -14.719 -4.727 1.00 0.00 C ATOM 299 OG1 THR A 22 -8.909 -14.886 -5.421 1.00 0.00 O ATOM 300 CG2 THR A 22 -7.941 -15.319 -3.345 1.00 0.00 C ATOM 0 H THR A 22 -5.921 -13.282 -6.079 1.00 0.00 H new ATOM 0 HA THR A 22 -8.459 -12.734 -4.598 1.00 0.00 H new ATOM 0 HB THR A 22 -6.791 -15.186 -5.162 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.114 -15.841 -5.499 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.073 -16.397 -3.436 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.095 -15.111 -2.689 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.844 -14.877 -2.924 1.00 0.00 H new ATOM 308 N VAL A 23 -7.427 -12.185 -2.495 1.00 0.00 N ATOM 309 CA VAL A 23 -6.815 -11.692 -1.272 1.00 0.00 C ATOM 310 C VAL A 23 -6.261 -12.873 -0.472 1.00 0.00 C ATOM 311 O VAL A 23 -6.927 -13.897 -0.330 1.00 0.00 O ATOM 312 CB VAL A 23 -7.824 -10.855 -0.482 1.00 0.00 C ATOM 313 CG1 VAL A 23 -7.220 -10.371 0.838 1.00 0.00 C ATOM 314 CG2 VAL A 23 -8.333 -9.679 -1.317 1.00 0.00 C ATOM 0 H VAL A 23 -8.440 -12.073 -2.540 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.977 -11.034 -1.503 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.677 -11.492 -0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.957 -9.779 1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.930 -11.231 1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.342 -9.758 0.633 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.048 -9.100 -0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.494 -9.042 -1.598 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.820 -10.055 -2.217 1.00 0.00 H new ATOM 324 N GLU A 24 -5.048 -12.690 0.028 1.00 0.00 N ATOM 325 CA GLU A 24 -4.397 -13.727 0.810 1.00 0.00 C ATOM 326 C GLU A 24 -4.912 -13.708 2.251 1.00 0.00 C ATOM 327 O GLU A 24 -4.414 -14.445 3.101 1.00 0.00 O ATOM 328 CB GLU A 24 -2.876 -13.572 0.769 1.00 0.00 C ATOM 329 CG GLU A 24 -2.259 -14.488 -0.289 1.00 0.00 C ATOM 330 CD GLU A 24 -2.766 -14.130 -1.688 1.00 0.00 C ATOM 331 OE1 GLU A 24 -3.227 -12.979 -1.847 1.00 0.00 O ATOM 332 OE2 GLU A 24 -2.682 -15.016 -2.566 1.00 0.00 O ATOM 0 H GLU A 24 -4.499 -11.839 -0.093 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.642 -14.694 0.370 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.618 -12.535 0.552 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.457 -13.807 1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.173 -14.403 -0.259 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.504 -15.526 -0.064 1.00 0.00 H new ATOM 339 N GLU A 25 -5.901 -12.858 2.480 1.00 0.00 N ATOM 340 CA GLU A 25 -6.489 -12.733 3.803 1.00 0.00 C ATOM 341 C GLU A 25 -5.429 -12.978 4.880 1.00 0.00 C ATOM 342 O GLU A 25 -5.579 -13.872 5.711 1.00 0.00 O ATOM 343 CB GLU A 25 -7.671 -13.689 3.971 1.00 0.00 C ATOM 344 CG GLU A 25 -7.252 -15.134 3.693 1.00 0.00 C ATOM 345 CD GLU A 25 -8.166 -16.120 4.422 1.00 0.00 C ATOM 346 OE1 GLU A 25 -8.595 -15.774 5.544 1.00 0.00 O ATOM 347 OE2 GLU A 25 -8.416 -17.198 3.841 1.00 0.00 O ATOM 0 H GLU A 25 -6.311 -12.249 1.772 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.867 -11.717 3.916 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.066 -13.610 4.984 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.474 -13.403 3.292 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.286 -15.326 2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.221 -15.285 4.012 1.00 0.00 H new ATOM 354 N GLY A 26 -4.382 -12.167 4.829 1.00 0.00 N ATOM 355 CA GLY A 26 -3.298 -12.285 5.790 1.00 0.00 C ATOM 356 C GLY A 26 -1.938 -12.209 5.093 1.00 0.00 C ATOM 357 O GLY A 26 -1.045 -11.493 5.544 1.00 0.00 O ATOM 0 H GLY A 26 -4.261 -11.426 4.138 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.376 -11.490 6.531 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.384 -13.230 6.326 1.00 0.00 H new ATOM 361 N ASP A 27 -1.824 -12.958 4.006 1.00 0.00 N ATOM 362 CA ASP A 27 -0.587 -12.985 3.243 1.00 0.00 C ATOM 363 C ASP A 27 -0.759 -12.150 1.972 1.00 0.00 C ATOM 364 O ASP A 27 -0.448 -12.612 0.875 1.00 0.00 O ATOM 365 CB ASP A 27 -0.228 -14.412 2.826 1.00 0.00 C ATOM 366 CG ASP A 27 0.626 -15.185 3.833 1.00 0.00 C ATOM 367 OD1 ASP A 27 1.849 -14.928 3.855 1.00 0.00 O ATOM 368 OD2 ASP A 27 0.036 -16.015 4.559 1.00 0.00 O ATOM 0 H ASP A 27 -2.567 -13.550 3.635 1.00 0.00 H new ATOM 0 HA ASP A 27 0.207 -12.583 3.873 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.150 -14.967 2.653 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.304 -14.374 1.875 1.00 0.00 H new ATOM 373 N LEU A 28 -1.255 -10.936 2.162 1.00 0.00 N ATOM 374 CA LEU A 28 -1.472 -10.033 1.045 1.00 0.00 C ATOM 375 C LEU A 28 -0.217 -9.999 0.170 1.00 0.00 C ATOM 376 O LEU A 28 -0.309 -9.877 -1.050 1.00 0.00 O ATOM 377 CB LEU A 28 -1.909 -8.655 1.546 1.00 0.00 C ATOM 378 CG LEU A 28 -3.400 -8.493 1.848 1.00 0.00 C ATOM 379 CD1 LEU A 28 -3.727 -7.051 2.239 1.00 0.00 C ATOM 380 CD2 LEU A 28 -4.253 -8.975 0.672 1.00 0.00 C ATOM 0 H LEU A 28 -1.513 -10.557 3.073 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.288 -10.393 0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.348 -8.425 2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.627 -7.913 0.799 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.645 -9.122 2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.793 -6.964 2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.159 -6.777 3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.462 -6.383 1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.309 -8.849 0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.011 -8.391 -0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.048 -10.028 0.481 1.00 0.00 H new ATOM 392 N GLY A 29 0.928 -10.111 0.829 1.00 0.00 N ATOM 393 CA GLY A 29 2.200 -10.094 0.127 1.00 0.00 C ATOM 394 C GLY A 29 2.753 -8.671 0.028 1.00 0.00 C ATOM 395 O GLY A 29 3.826 -8.457 -0.534 1.00 0.00 O ATOM 0 H GLY A 29 1.001 -10.214 1.841 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.915 -10.730 0.648 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.073 -10.509 -0.873 1.00 0.00 H new ATOM 399 N PHE A 30 1.996 -7.736 0.583 1.00 0.00 N ATOM 400 CA PHE A 30 2.397 -6.340 0.564 1.00 0.00 C ATOM 401 C PHE A 30 1.671 -5.546 1.651 1.00 0.00 C ATOM 402 O PHE A 30 0.801 -6.080 2.338 1.00 0.00 O ATOM 403 CB PHE A 30 2.007 -5.781 -0.806 1.00 0.00 C ATOM 404 CG PHE A 30 0.510 -5.861 -1.107 1.00 0.00 C ATOM 405 CD1 PHE A 30 -0.011 -6.981 -1.677 1.00 0.00 C ATOM 406 CD2 PHE A 30 -0.302 -4.812 -0.805 1.00 0.00 C ATOM 407 CE1 PHE A 30 -1.401 -7.055 -1.956 1.00 0.00 C ATOM 408 CE2 PHE A 30 -1.692 -4.886 -1.085 1.00 0.00 C ATOM 409 CZ PHE A 30 -2.212 -6.006 -1.654 1.00 0.00 C ATOM 0 H PHE A 30 1.107 -7.918 1.049 1.00 0.00 H new ATOM 0 HA PHE A 30 3.468 -6.258 0.747 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.324 -4.740 -0.866 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.552 -6.325 -1.578 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.633 -7.814 -1.917 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.111 -3.923 -0.352 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.814 -7.944 -2.408 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.336 -4.053 -0.846 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.269 -6.063 -1.866 1.00 0.00 H new ATOM 419 N THR A 31 2.054 -4.283 1.773 1.00 0.00 N ATOM 420 CA THR A 31 1.450 -3.411 2.765 1.00 0.00 C ATOM 421 C THR A 31 1.115 -2.052 2.147 1.00 0.00 C ATOM 422 O THR A 31 1.411 -1.808 0.978 1.00 0.00 O ATOM 423 CB THR A 31 2.405 -3.317 3.957 1.00 0.00 C ATOM 424 OG1 THR A 31 2.272 -1.970 4.403 1.00 0.00 O ATOM 425 CG2 THR A 31 3.873 -3.429 3.541 1.00 0.00 C ATOM 0 H THR A 31 2.775 -3.843 1.201 1.00 0.00 H new ATOM 0 HA THR A 31 0.502 -3.814 3.121 1.00 0.00 H new ATOM 0 HB THR A 31 2.170 -4.104 4.674 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.856 -1.822 5.176 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.508 -3.356 4.424 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.040 -4.389 3.052 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.118 -2.622 2.850 1.00 0.00 H new ATOM 433 N LEU A 32 0.502 -1.203 2.959 1.00 0.00 N ATOM 434 CA LEU A 32 0.124 0.125 2.506 1.00 0.00 C ATOM 435 C LEU A 32 0.848 1.173 3.354 1.00 0.00 C ATOM 436 O LEU A 32 0.885 1.068 4.579 1.00 0.00 O ATOM 437 CB LEU A 32 -1.398 0.278 2.507 1.00 0.00 C ATOM 438 CG LEU A 32 -2.182 -0.806 1.764 1.00 0.00 C ATOM 439 CD1 LEU A 32 -3.662 -0.774 2.149 1.00 0.00 C ATOM 440 CD2 LEU A 32 -1.980 -0.690 0.252 1.00 0.00 C ATOM 0 H LEU A 32 0.258 -1.409 3.928 1.00 0.00 H new ATOM 0 HA LEU A 32 0.436 0.279 1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.740 0.301 3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.646 1.244 2.067 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.792 -1.778 2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.196 -1.554 1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.763 -0.943 3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.083 0.198 1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.548 -1.472 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.326 0.286 -0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.922 -0.801 0.017 1.00 0.00 H new ATOM 452 N ARG A 33 1.405 2.161 2.668 1.00 0.00 N ATOM 453 CA ARG A 33 2.125 3.227 3.342 1.00 0.00 C ATOM 454 C ARG A 33 1.645 4.591 2.842 1.00 0.00 C ATOM 455 O ARG A 33 1.129 4.702 1.731 1.00 0.00 O ATOM 456 CB ARG A 33 3.632 3.107 3.108 1.00 0.00 C ATOM 457 CG ARG A 33 4.162 1.767 3.622 1.00 0.00 C ATOM 458 CD ARG A 33 5.356 1.972 4.557 1.00 0.00 C ATOM 459 NE ARG A 33 4.928 1.820 5.965 1.00 0.00 N ATOM 460 CZ ARG A 33 5.771 1.759 7.005 1.00 0.00 C ATOM 461 NH1 ARG A 33 7.093 1.838 6.800 1.00 0.00 N ATOM 462 NH2 ARG A 33 5.293 1.620 8.249 1.00 0.00 N ATOM 0 H ARG A 33 1.372 2.245 1.652 1.00 0.00 H new ATOM 0 HA ARG A 33 1.926 3.138 4.410 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.847 3.203 2.044 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.148 3.924 3.612 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.369 1.237 4.150 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.458 1.142 2.780 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.138 1.249 4.326 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.783 2.963 4.403 1.00 0.00 H new ATOM 0 HE ARG A 33 3.928 1.758 6.156 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.457 1.944 5.853 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.735 1.792 7.591 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.287 1.561 8.405 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.935 1.574 9.040 1.00 0.00 H new ATOM 476 N GLY A 34 1.832 5.595 3.686 1.00 0.00 N ATOM 477 CA GLY A 34 1.425 6.947 3.343 1.00 0.00 C ATOM 478 C GLY A 34 0.062 7.280 3.954 1.00 0.00 C ATOM 479 O GLY A 34 -0.371 6.633 4.906 1.00 0.00 O ATOM 0 H GLY A 34 2.260 5.499 4.607 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.171 7.657 3.700 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.377 7.053 2.259 1.00 0.00 H new ATOM 483 N ASN A 35 -0.577 8.289 3.380 1.00 0.00 N ATOM 484 CA ASN A 35 -1.882 8.716 3.856 1.00 0.00 C ATOM 485 C ASN A 35 -2.942 8.361 2.812 1.00 0.00 C ATOM 486 O ASN A 35 -3.767 7.476 3.036 1.00 0.00 O ATOM 487 CB ASN A 35 -1.920 10.230 4.073 1.00 0.00 C ATOM 488 CG ASN A 35 -0.957 10.945 3.123 1.00 0.00 C ATOM 489 OD1 ASN A 35 0.229 10.665 3.074 1.00 0.00 O ATOM 490 ND2 ASN A 35 -1.532 11.882 2.374 1.00 0.00 N ATOM 0 H ASN A 35 -0.215 8.823 2.590 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.078 8.211 4.802 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.934 10.598 3.914 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.656 10.460 5.105 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.974 12.416 1.708 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.531 12.066 2.465 1.00 0.00 H new ATOM 497 N THR A 36 -2.886 9.069 1.693 1.00 0.00 N ATOM 498 CA THR A 36 -3.831 8.840 0.614 1.00 0.00 C ATOM 499 C THR A 36 -3.499 9.731 -0.584 1.00 0.00 C ATOM 500 O THR A 36 -3.157 10.901 -0.417 1.00 0.00 O ATOM 501 CB THR A 36 -5.241 9.062 1.165 1.00 0.00 C ATOM 502 OG1 THR A 36 -6.003 9.444 0.023 1.00 0.00 O ATOM 503 CG2 THR A 36 -5.323 10.277 2.091 1.00 0.00 C ATOM 0 H THR A 36 -2.200 9.802 1.511 1.00 0.00 H new ATOM 0 HA THR A 36 -3.769 7.816 0.244 1.00 0.00 H new ATOM 0 HB THR A 36 -5.564 8.172 1.705 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.483 8.664 -0.326 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.345 10.389 2.454 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.651 10.136 2.937 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.032 11.173 1.542 1.00 0.00 H new ATOM 511 N PRO A 37 -3.615 9.129 -1.798 1.00 0.00 N ATOM 512 CA PRO A 37 -4.026 7.740 -1.908 1.00 0.00 C ATOM 513 C PRO A 37 -2.887 6.798 -1.511 1.00 0.00 C ATOM 514 O PRO A 37 -1.753 6.966 -1.958 1.00 0.00 O ATOM 515 CB PRO A 37 -4.458 7.571 -3.356 1.00 0.00 C ATOM 516 CG PRO A 37 -3.840 8.735 -4.114 1.00 0.00 C ATOM 517 CD PRO A 37 -3.358 9.753 -3.093 1.00 0.00 C ATOM 0 HA PRO A 37 -4.842 7.488 -1.230 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.115 6.617 -3.757 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.544 7.581 -3.443 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.010 8.391 -4.731 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.571 9.185 -4.785 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.298 9.973 -3.223 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.894 10.697 -3.191 1.00 0.00 H new ATOM 525 N VAL A 38 -3.228 5.828 -0.676 1.00 0.00 N ATOM 526 CA VAL A 38 -2.249 4.860 -0.213 1.00 0.00 C ATOM 527 C VAL A 38 -1.571 4.210 -1.421 1.00 0.00 C ATOM 528 O VAL A 38 -2.194 4.033 -2.467 1.00 0.00 O ATOM 529 CB VAL A 38 -2.916 3.844 0.716 1.00 0.00 C ATOM 530 CG1 VAL A 38 -3.374 4.508 2.016 1.00 0.00 C ATOM 531 CG2 VAL A 38 -4.084 3.145 0.017 1.00 0.00 C ATOM 0 H VAL A 38 -4.169 5.692 -0.308 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.472 5.353 0.371 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.175 3.086 0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.845 3.764 2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.513 4.937 2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.091 5.297 1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.540 2.428 0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.826 3.886 -0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.719 2.622 -0.867 1.00 0.00 H new ATOM 541 N GLN A 39 -0.303 3.871 -1.237 1.00 0.00 N ATOM 542 CA GLN A 39 0.466 3.245 -2.298 1.00 0.00 C ATOM 543 C GLN A 39 0.578 1.739 -2.055 1.00 0.00 C ATOM 544 O GLN A 39 -0.044 1.207 -1.136 1.00 0.00 O ATOM 545 CB GLN A 39 1.850 3.884 -2.423 1.00 0.00 C ATOM 546 CG GLN A 39 1.911 4.830 -3.624 1.00 0.00 C ATOM 547 CD GLN A 39 3.072 5.818 -3.486 1.00 0.00 C ATOM 548 OE1 GLN A 39 2.957 6.996 -3.782 1.00 0.00 O ATOM 549 NE2 GLN A 39 4.193 5.274 -3.020 1.00 0.00 N ATOM 0 H GLN A 39 0.211 4.018 -0.368 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.058 3.403 -3.241 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.085 4.433 -1.511 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.606 3.106 -2.530 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.028 4.252 -4.541 1.00 0.00 H new ATOM 0 HG3 GLN A 39 0.972 5.377 -3.709 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.221 4.280 -2.792 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.024 5.851 -2.891 1.00 0.00 H new ATOM 558 N VAL A 40 1.374 1.093 -2.894 1.00 0.00 N ATOM 559 CA VAL A 40 1.575 -0.341 -2.781 1.00 0.00 C ATOM 560 C VAL A 40 3.056 -0.625 -2.519 1.00 0.00 C ATOM 561 O VAL A 40 3.884 -0.506 -3.420 1.00 0.00 O ATOM 562 CB VAL A 40 1.045 -1.044 -4.033 1.00 0.00 C ATOM 563 CG1 VAL A 40 1.470 -2.513 -4.058 1.00 0.00 C ATOM 564 CG2 VAL A 40 -0.476 -0.911 -4.133 1.00 0.00 C ATOM 0 H VAL A 40 1.888 1.537 -3.655 1.00 0.00 H new ATOM 0 HA VAL A 40 1.012 -0.740 -1.937 1.00 0.00 H new ATOM 0 HB VAL A 40 1.482 -0.554 -4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.080 -2.989 -4.958 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.558 -2.577 -4.056 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.075 -3.021 -3.178 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.827 -1.419 -5.031 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.939 -1.363 -3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.746 0.144 -4.183 1.00 0.00 H new ATOM 574 N HIS A 41 3.343 -0.996 -1.279 1.00 0.00 N ATOM 575 CA HIS A 41 4.709 -1.298 -0.886 1.00 0.00 C ATOM 576 C HIS A 41 4.962 -2.800 -1.024 1.00 0.00 C ATOM 577 O HIS A 41 5.186 -3.490 -0.030 1.00 0.00 O ATOM 578 CB HIS A 41 4.998 -0.775 0.522 1.00 0.00 C ATOM 579 CG HIS A 41 6.468 -0.690 0.857 1.00 0.00 C ATOM 580 ND1 HIS A 41 7.389 -0.068 0.032 1.00 0.00 N ATOM 581 CD2 HIS A 41 7.165 -1.153 1.933 1.00 0.00 C ATOM 582 CE1 HIS A 41 8.584 -0.160 0.597 1.00 0.00 C ATOM 583 NE2 HIS A 41 8.443 -0.833 1.775 1.00 0.00 N ATOM 0 H HIS A 41 2.653 -1.094 -0.534 1.00 0.00 H new ATOM 0 HA HIS A 41 5.404 -0.785 -1.551 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.554 0.215 0.629 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.508 -1.424 1.247 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.748 -1.690 2.772 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.508 0.230 0.195 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.196 -1.054 2.427 1.00 0.00 H new ATOM 591 N PHE A 42 4.919 -3.264 -2.264 1.00 0.00 N ATOM 592 CA PHE A 42 5.141 -4.672 -2.545 1.00 0.00 C ATOM 593 C PHE A 42 6.333 -5.209 -1.750 1.00 0.00 C ATOM 594 O PHE A 42 7.389 -4.580 -1.708 1.00 0.00 O ATOM 595 CB PHE A 42 5.446 -4.788 -4.040 1.00 0.00 C ATOM 596 CG PHE A 42 4.242 -5.195 -4.891 1.00 0.00 C ATOM 597 CD1 PHE A 42 3.520 -6.300 -4.563 1.00 0.00 C ATOM 598 CD2 PHE A 42 3.894 -4.453 -5.976 1.00 0.00 C ATOM 599 CE1 PHE A 42 2.402 -6.678 -5.354 1.00 0.00 C ATOM 600 CE2 PHE A 42 2.776 -4.831 -6.766 1.00 0.00 C ATOM 601 CZ PHE A 42 2.054 -5.936 -6.439 1.00 0.00 C ATOM 0 H PHE A 42 4.734 -2.689 -3.086 1.00 0.00 H new ATOM 0 HA PHE A 42 4.261 -5.250 -2.264 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.824 -3.831 -4.398 1.00 0.00 H new ATOM 0 HB3 PHE A 42 6.242 -5.519 -4.182 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.796 -6.890 -3.702 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.468 -3.576 -6.237 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.828 -7.555 -5.093 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.499 -4.241 -7.627 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.205 -6.224 -7.041 1.00 0.00 H new ATOM 611 N LEU A 43 6.124 -6.366 -1.139 1.00 0.00 N ATOM 612 CA LEU A 43 7.168 -6.994 -0.348 1.00 0.00 C ATOM 613 C LEU A 43 7.544 -8.335 -0.980 1.00 0.00 C ATOM 614 O LEU A 43 8.722 -8.681 -1.057 1.00 0.00 O ATOM 615 CB LEU A 43 6.738 -7.103 1.117 1.00 0.00 C ATOM 616 CG LEU A 43 6.717 -5.794 1.909 1.00 0.00 C ATOM 617 CD1 LEU A 43 6.062 -5.992 3.277 1.00 0.00 C ATOM 618 CD2 LEU A 43 8.123 -5.202 2.027 1.00 0.00 C ATOM 0 H LEU A 43 5.247 -6.885 -1.176 1.00 0.00 H new ATOM 0 HA LEU A 43 8.068 -6.379 -0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.740 -7.541 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.409 -7.799 1.621 1.00 0.00 H new ATOM 0 HG LEU A 43 6.109 -5.073 1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.060 -5.047 3.820 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.036 -6.336 3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.622 -6.735 3.845 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.080 -4.272 2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.774 -5.910 2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.518 -5.001 1.031 1.00 0.00 H new ATOM 630 N ASP A 44 6.521 -9.055 -1.417 1.00 0.00 N ATOM 631 CA ASP A 44 6.729 -10.350 -2.040 1.00 0.00 C ATOM 632 C ASP A 44 6.442 -10.243 -3.539 1.00 0.00 C ATOM 633 O ASP A 44 5.305 -10.002 -3.942 1.00 0.00 O ATOM 634 CB ASP A 44 5.786 -11.402 -1.453 1.00 0.00 C ATOM 635 CG ASP A 44 5.952 -11.654 0.047 1.00 0.00 C ATOM 636 OD1 ASP A 44 6.462 -10.735 0.724 1.00 0.00 O ATOM 637 OD2 ASP A 44 5.565 -12.760 0.483 1.00 0.00 O ATOM 0 H ASP A 44 5.545 -8.765 -1.352 1.00 0.00 H new ATOM 0 HA ASP A 44 7.761 -10.649 -1.858 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.758 -11.093 -1.643 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.939 -12.342 -1.983 1.00 0.00 H new ATOM 642 N PRO A 45 7.521 -10.431 -4.346 1.00 0.00 N ATOM 643 CA PRO A 45 7.397 -10.358 -5.792 1.00 0.00 C ATOM 644 C PRO A 45 6.718 -11.611 -6.348 1.00 0.00 C ATOM 645 O PRO A 45 6.538 -11.739 -7.558 1.00 0.00 O ATOM 646 CB PRO A 45 8.817 -10.176 -6.300 1.00 0.00 C ATOM 647 CG PRO A 45 9.726 -10.619 -5.165 1.00 0.00 C ATOM 648 CD PRO A 45 8.883 -10.718 -3.904 1.00 0.00 C ATOM 0 HA PRO A 45 6.763 -9.534 -6.119 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.991 -10.773 -7.195 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.006 -9.137 -6.568 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.183 -11.582 -5.395 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.538 -9.906 -5.026 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.954 -11.710 -3.457 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.213 -10.004 -3.150 1.00 0.00 H new ATOM 656 N HIS A 46 6.360 -12.505 -5.438 1.00 0.00 N ATOM 657 CA HIS A 46 5.706 -13.744 -5.822 1.00 0.00 C ATOM 658 C HIS A 46 4.354 -13.852 -5.114 1.00 0.00 C ATOM 659 O HIS A 46 3.947 -14.939 -4.708 1.00 0.00 O ATOM 660 CB HIS A 46 6.615 -14.945 -5.552 1.00 0.00 C ATOM 661 CG HIS A 46 8.029 -14.770 -6.051 1.00 0.00 C ATOM 662 ND1 HIS A 46 9.135 -14.903 -5.231 1.00 0.00 N ATOM 663 CD2 HIS A 46 8.505 -14.472 -7.294 1.00 0.00 C ATOM 664 CE1 HIS A 46 10.223 -14.692 -5.958 1.00 0.00 C ATOM 665 NE2 HIS A 46 9.830 -14.425 -7.236 1.00 0.00 N ATOM 0 H HIS A 46 6.511 -12.396 -4.435 1.00 0.00 H new ATOM 0 HA HIS A 46 5.515 -13.741 -6.895 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.640 -15.134 -4.479 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.182 -15.828 -6.021 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.905 -14.303 -8.176 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.242 -14.726 -5.601 1.00 0.00 H new ATOM 0 HE2 HIS A 46 10.452 -14.222 -8.019 1.00 0.00 H new ATOM 673 N CYS A 47 3.696 -12.709 -4.986 1.00 0.00 N ATOM 674 CA CYS A 47 2.399 -12.661 -4.334 1.00 0.00 C ATOM 675 C CYS A 47 1.320 -12.578 -5.416 1.00 0.00 C ATOM 676 O CYS A 47 1.599 -12.182 -6.546 1.00 0.00 O ATOM 677 CB CYS A 47 2.306 -11.497 -3.345 1.00 0.00 C ATOM 678 SG CYS A 47 2.527 -9.908 -4.225 1.00 0.00 S ATOM 0 H CYS A 47 4.037 -11.809 -5.323 1.00 0.00 H new ATOM 0 HA CYS A 47 2.252 -13.566 -3.744 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.339 -11.512 -2.843 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.068 -11.603 -2.573 1.00 0.00 H new ATOM 0 HG CYS A 47 3.783 -9.575 -4.210 1.00 0.00 H new ATOM 684 N SER A 48 0.110 -12.957 -5.030 1.00 0.00 N ATOM 685 CA SER A 48 -1.012 -12.931 -5.953 1.00 0.00 C ATOM 686 C SER A 48 -1.068 -11.581 -6.670 1.00 0.00 C ATOM 687 O SER A 48 -0.999 -11.522 -7.897 1.00 0.00 O ATOM 688 CB SER A 48 -2.330 -13.200 -5.225 1.00 0.00 C ATOM 689 OG SER A 48 -2.461 -12.409 -4.047 1.00 0.00 O ATOM 0 H SER A 48 -0.118 -13.284 -4.091 1.00 0.00 H new ATOM 0 HA SER A 48 -0.867 -13.721 -6.690 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.164 -12.992 -5.896 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.389 -14.256 -4.961 1.00 0.00 H new ATOM 0 HG SER A 48 -3.264 -12.682 -3.557 1.00 0.00 H new ATOM 695 N ALA A 49 -1.192 -10.529 -5.874 1.00 0.00 N ATOM 696 CA ALA A 49 -1.258 -9.183 -6.418 1.00 0.00 C ATOM 697 C ALA A 49 -0.279 -9.061 -7.587 1.00 0.00 C ATOM 698 O ALA A 49 -0.694 -8.999 -8.744 1.00 0.00 O ATOM 699 CB ALA A 49 -0.969 -8.169 -5.308 1.00 0.00 C ATOM 0 H ALA A 49 -1.248 -10.581 -4.857 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.257 -8.973 -6.801 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.018 -7.159 -5.716 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.709 -8.277 -4.515 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.027 -8.348 -4.902 1.00 0.00 H new ATOM 705 N SER A 50 1.001 -9.030 -7.246 1.00 0.00 N ATOM 706 CA SER A 50 2.041 -8.917 -8.254 1.00 0.00 C ATOM 707 C SER A 50 1.787 -9.917 -9.384 1.00 0.00 C ATOM 708 O SER A 50 1.750 -9.540 -10.554 1.00 0.00 O ATOM 709 CB SER A 50 3.426 -9.147 -7.644 1.00 0.00 C ATOM 710 OG SER A 50 4.464 -8.618 -8.464 1.00 0.00 O ATOM 0 H SER A 50 1.341 -9.081 -6.286 1.00 0.00 H new ATOM 0 HA SER A 50 2.015 -7.906 -8.660 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.470 -8.683 -6.659 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.586 -10.216 -7.500 1.00 0.00 H new ATOM 0 HG SER A 50 5.332 -8.783 -8.040 1.00 0.00 H new ATOM 716 N LEU A 51 1.617 -11.172 -8.993 1.00 0.00 N ATOM 717 CA LEU A 51 1.366 -12.228 -9.959 1.00 0.00 C ATOM 718 C LEU A 51 0.205 -11.819 -10.867 1.00 0.00 C ATOM 719 O LEU A 51 0.107 -12.282 -12.002 1.00 0.00 O ATOM 720 CB LEU A 51 1.149 -13.565 -9.246 1.00 0.00 C ATOM 721 CG LEU A 51 2.356 -14.129 -8.495 1.00 0.00 C ATOM 722 CD1 LEU A 51 1.912 -15.022 -7.335 1.00 0.00 C ATOM 723 CD2 LEU A 51 3.305 -14.858 -9.449 1.00 0.00 C ATOM 0 H LEU A 51 1.648 -11.481 -8.021 1.00 0.00 H new ATOM 0 HA LEU A 51 2.235 -12.372 -10.600 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.328 -13.447 -8.538 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.830 -14.300 -9.985 1.00 0.00 H new ATOM 0 HG LEU A 51 2.910 -13.295 -8.065 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.790 -15.410 -6.818 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.308 -14.440 -6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.321 -15.853 -7.721 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.154 -15.249 -8.889 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.777 -15.682 -9.929 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.661 -14.163 -10.210 1.00 0.00 H new ATOM 735 N ALA A 52 -0.647 -10.956 -10.332 1.00 0.00 N ATOM 736 CA ALA A 52 -1.798 -10.480 -11.080 1.00 0.00 C ATOM 737 C ALA A 52 -1.323 -9.567 -12.212 1.00 0.00 C ATOM 738 O ALA A 52 -1.621 -9.813 -13.379 1.00 0.00 O ATOM 739 CB ALA A 52 -2.767 -9.774 -10.129 1.00 0.00 C ATOM 0 H ALA A 52 -0.563 -10.574 -9.390 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.334 -11.314 -11.533 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.631 -9.416 -10.689 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.097 -10.473 -9.361 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.264 -8.929 -9.659 1.00 0.00 H new ATOM 745 N GLY A 53 -0.591 -8.531 -11.827 1.00 0.00 N ATOM 746 CA GLY A 53 -0.072 -7.581 -12.795 1.00 0.00 C ATOM 747 C GLY A 53 0.009 -6.176 -12.195 1.00 0.00 C ATOM 748 O GLY A 53 -0.379 -5.200 -12.836 1.00 0.00 O ATOM 0 H GLY A 53 -0.346 -8.329 -10.858 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.918 -7.897 -13.125 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.713 -7.568 -13.676 1.00 0.00 H new ATOM 752 N ALA A 54 0.515 -6.117 -10.972 1.00 0.00 N ATOM 753 CA ALA A 54 0.651 -4.848 -10.278 1.00 0.00 C ATOM 754 C ALA A 54 2.136 -4.528 -10.097 1.00 0.00 C ATOM 755 O ALA A 54 2.990 -5.391 -10.295 1.00 0.00 O ATOM 756 CB ALA A 54 -0.099 -4.911 -8.946 1.00 0.00 C ATOM 0 H ALA A 54 0.836 -6.928 -10.444 1.00 0.00 H new ATOM 0 HA ALA A 54 0.209 -4.041 -10.863 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.003 -3.959 -8.425 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.154 -5.112 -9.132 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.319 -5.708 -8.330 1.00 0.00 H new ATOM 762 N LYS A 55 2.400 -3.285 -9.722 1.00 0.00 N ATOM 763 CA LYS A 55 3.767 -2.840 -9.511 1.00 0.00 C ATOM 764 C LYS A 55 3.799 -1.833 -8.360 1.00 0.00 C ATOM 765 O LYS A 55 2.777 -1.240 -8.020 1.00 0.00 O ATOM 766 CB LYS A 55 4.362 -2.303 -10.814 1.00 0.00 C ATOM 767 CG LYS A 55 4.681 -3.444 -11.783 1.00 0.00 C ATOM 768 CD LYS A 55 5.607 -2.969 -12.904 1.00 0.00 C ATOM 769 CE LYS A 55 4.835 -2.158 -13.947 1.00 0.00 C ATOM 770 NZ LYS A 55 5.724 -1.171 -14.599 1.00 0.00 N ATOM 0 H LYS A 55 1.690 -2.571 -9.559 1.00 0.00 H new ATOM 0 HA LYS A 55 4.400 -3.678 -9.219 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.661 -1.611 -11.280 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.270 -1.740 -10.598 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.151 -4.265 -11.242 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.756 -3.832 -12.210 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.408 -2.360 -12.485 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.076 -3.829 -13.382 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.413 -2.827 -14.697 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.999 -1.645 -13.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.184 -0.630 -15.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.107 -0.522 -13.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.507 -1.667 -15.070 1.00 0.00 H new ATOM 784 N GLU A 56 4.985 -1.671 -7.791 1.00 0.00 N ATOM 785 CA GLU A 56 5.164 -0.747 -6.685 1.00 0.00 C ATOM 786 C GLU A 56 4.800 0.675 -7.117 1.00 0.00 C ATOM 787 O GLU A 56 4.593 0.934 -8.301 1.00 0.00 O ATOM 788 CB GLU A 56 6.595 -0.806 -6.147 1.00 0.00 C ATOM 789 CG GLU A 56 7.549 -0.006 -7.036 1.00 0.00 C ATOM 790 CD GLU A 56 8.997 -0.164 -6.568 1.00 0.00 C ATOM 791 OE1 GLU A 56 9.368 0.556 -5.616 1.00 0.00 O ATOM 792 OE2 GLU A 56 9.701 -1.001 -7.174 1.00 0.00 O ATOM 0 H GLU A 56 5.831 -2.164 -8.076 1.00 0.00 H new ATOM 0 HA GLU A 56 4.494 -1.044 -5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.622 -0.411 -5.131 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.925 -1.844 -6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.458 -0.343 -8.069 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.270 1.048 -7.019 1.00 0.00 H new ATOM 799 N GLY A 57 4.732 1.559 -6.132 1.00 0.00 N ATOM 800 CA GLY A 57 4.395 2.948 -6.396 1.00 0.00 C ATOM 801 C GLY A 57 2.973 3.073 -6.945 1.00 0.00 C ATOM 802 O GLY A 57 2.587 4.129 -7.445 1.00 0.00 O ATOM 0 H GLY A 57 4.904 1.341 -5.151 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.486 3.529 -5.478 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.103 3.368 -7.111 1.00 0.00 H new ATOM 806 N ASP A 58 2.231 1.981 -6.832 1.00 0.00 N ATOM 807 CA ASP A 58 0.860 1.955 -7.311 1.00 0.00 C ATOM 808 C ASP A 58 -0.055 2.590 -6.262 1.00 0.00 C ATOM 809 O ASP A 58 0.046 2.279 -5.076 1.00 0.00 O ATOM 810 CB ASP A 58 0.385 0.520 -7.546 1.00 0.00 C ATOM 811 CG ASP A 58 0.671 -0.036 -8.943 1.00 0.00 C ATOM 812 OD1 ASP A 58 1.044 0.781 -9.813 1.00 0.00 O ATOM 813 OD2 ASP A 58 0.511 -1.264 -9.108 1.00 0.00 O ATOM 0 H ASP A 58 2.554 1.108 -6.416 1.00 0.00 H new ATOM 0 HA ASP A 58 0.821 2.506 -8.251 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.859 -0.129 -6.809 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.689 0.475 -7.366 1.00 0.00 H new ATOM 818 N TYR A 59 -0.926 3.469 -6.735 1.00 0.00 N ATOM 819 CA TYR A 59 -1.857 4.150 -5.852 1.00 0.00 C ATOM 820 C TYR A 59 -3.268 3.576 -5.996 1.00 0.00 C ATOM 821 O TYR A 59 -3.888 3.697 -7.052 1.00 0.00 O ATOM 822 CB TYR A 59 -1.867 5.613 -6.298 1.00 0.00 C ATOM 823 CG TYR A 59 -0.493 6.285 -6.261 1.00 0.00 C ATOM 824 CD1 TYR A 59 0.470 5.937 -7.186 1.00 0.00 C ATOM 825 CD2 TYR A 59 -0.217 7.238 -5.302 1.00 0.00 C ATOM 826 CE1 TYR A 59 1.764 6.569 -7.151 1.00 0.00 C ATOM 827 CE2 TYR A 59 1.077 7.869 -5.266 1.00 0.00 C ATOM 828 CZ TYR A 59 2.003 7.504 -6.193 1.00 0.00 C ATOM 829 OH TYR A 59 3.225 8.101 -6.160 1.00 0.00 O ATOM 0 H TYR A 59 -1.007 3.725 -7.719 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.555 4.032 -4.811 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.261 5.670 -7.313 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.551 6.172 -5.659 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.254 5.191 -7.936 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.971 7.511 -4.579 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.527 6.306 -7.869 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.307 8.615 -4.520 1.00 0.00 H new ATOM 0 HH TYR A 59 3.639 7.951 -5.284 1.00 0.00 H new ATOM 839 N ILE A 60 -3.735 2.962 -4.918 1.00 0.00 N ATOM 840 CA ILE A 60 -5.062 2.369 -4.911 1.00 0.00 C ATOM 841 C ILE A 60 -6.111 3.475 -5.041 1.00 0.00 C ATOM 842 O ILE A 60 -6.091 4.447 -4.287 1.00 0.00 O ATOM 843 CB ILE A 60 -5.248 1.487 -3.674 1.00 0.00 C ATOM 844 CG1 ILE A 60 -4.118 0.462 -3.557 1.00 0.00 C ATOM 845 CG2 ILE A 60 -6.626 0.823 -3.676 1.00 0.00 C ATOM 846 CD1 ILE A 60 -4.285 -0.397 -2.302 1.00 0.00 C ATOM 0 H ILE A 60 -3.218 2.862 -4.044 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.188 1.707 -5.768 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.199 2.123 -2.790 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.108 -0.176 -4.440 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.157 0.976 -3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.732 0.202 -2.786 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.400 1.591 -3.677 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -6.730 0.202 -4.566 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.469 -1.117 -2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.270 0.242 -1.419 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.235 -0.929 -2.349 1.00 0.00 H new ATOM 858 N VAL A 61 -7.004 3.290 -6.003 1.00 0.00 N ATOM 859 CA VAL A 61 -8.059 4.260 -6.241 1.00 0.00 C ATOM 860 C VAL A 61 -9.401 3.661 -5.817 1.00 0.00 C ATOM 861 O VAL A 61 -10.241 4.353 -5.244 1.00 0.00 O ATOM 862 CB VAL A 61 -8.038 4.706 -7.704 1.00 0.00 C ATOM 863 CG1 VAL A 61 -6.876 5.665 -7.968 1.00 0.00 C ATOM 864 CG2 VAL A 61 -7.980 3.501 -8.644 1.00 0.00 C ATOM 0 H VAL A 61 -7.018 2.483 -6.626 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.899 5.155 -5.640 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.966 5.242 -7.904 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.884 5.967 -9.015 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.981 6.547 -7.336 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.934 5.166 -7.741 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.966 3.846 -9.678 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.077 2.925 -8.442 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.855 2.872 -8.483 1.00 0.00 H new ATOM 874 N SER A 62 -9.562 2.380 -6.116 1.00 0.00 N ATOM 875 CA SER A 62 -10.788 1.680 -5.773 1.00 0.00 C ATOM 876 C SER A 62 -10.527 0.174 -5.696 1.00 0.00 C ATOM 877 O SER A 62 -9.479 -0.301 -6.130 1.00 0.00 O ATOM 878 CB SER A 62 -11.894 1.975 -6.789 1.00 0.00 C ATOM 879 OG SER A 62 -12.389 3.306 -6.668 1.00 0.00 O ATOM 0 H SER A 62 -8.864 1.809 -6.592 1.00 0.00 H new ATOM 0 HA SER A 62 -11.123 2.035 -4.798 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.510 1.821 -7.798 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.713 1.269 -6.649 1.00 0.00 H new ATOM 0 HG SER A 62 -13.155 3.316 -6.056 1.00 0.00 H new ATOM 885 N ILE A 63 -11.499 -0.535 -5.140 1.00 0.00 N ATOM 886 CA ILE A 63 -11.387 -1.977 -5.000 1.00 0.00 C ATOM 887 C ILE A 63 -12.750 -2.618 -5.267 1.00 0.00 C ATOM 888 O ILE A 63 -13.699 -2.403 -4.515 1.00 0.00 O ATOM 889 CB ILE A 63 -10.794 -2.338 -3.637 1.00 0.00 C ATOM 890 CG1 ILE A 63 -9.359 -1.823 -3.509 1.00 0.00 C ATOM 891 CG2 ILE A 63 -10.887 -3.844 -3.380 1.00 0.00 C ATOM 892 CD1 ILE A 63 -8.828 -2.024 -2.089 1.00 0.00 C ATOM 0 H ILE A 63 -12.367 -0.138 -4.781 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.695 -2.379 -5.740 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.384 -1.842 -2.866 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.717 -2.345 -4.218 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.324 -0.765 -3.767 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.458 -4.074 -2.404 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.932 -4.152 -3.399 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.337 -4.380 -4.153 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.806 -1.649 -2.026 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.458 -1.480 -1.385 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.841 -3.086 -1.843 1.00 0.00 H new ATOM 904 N GLN A 64 -12.804 -3.393 -6.340 1.00 0.00 N ATOM 905 CA GLN A 64 -14.036 -4.067 -6.716 1.00 0.00 C ATOM 906 C GLN A 64 -15.046 -3.058 -7.267 1.00 0.00 C ATOM 907 O GLN A 64 -15.510 -3.195 -8.398 1.00 0.00 O ATOM 908 CB GLN A 64 -14.622 -4.838 -5.531 1.00 0.00 C ATOM 909 CG GLN A 64 -14.498 -6.348 -5.745 1.00 0.00 C ATOM 910 CD GLN A 64 -15.844 -7.043 -5.534 1.00 0.00 C ATOM 911 OE1 GLN A 64 -16.840 -6.432 -5.181 1.00 0.00 O ATOM 912 NE2 GLN A 64 -15.819 -8.353 -5.767 1.00 0.00 N ATOM 0 H GLN A 64 -12.015 -3.570 -6.961 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.808 -4.789 -7.500 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -14.104 -4.553 -4.615 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.671 -4.570 -5.401 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -14.136 -6.548 -6.753 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -13.761 -6.758 -5.054 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -14.952 -8.802 -6.060 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -16.667 -8.908 -5.652 1.00 0.00 H new ATOM 921 N GLY A 65 -15.356 -2.068 -6.443 1.00 0.00 N ATOM 922 CA GLY A 65 -16.302 -1.038 -6.834 1.00 0.00 C ATOM 923 C GLY A 65 -16.531 -0.043 -5.695 1.00 0.00 C ATOM 924 O GLY A 65 -17.646 0.441 -5.502 1.00 0.00 O ATOM 0 H GLY A 65 -14.968 -1.958 -5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.929 -0.511 -7.712 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -17.249 -1.497 -7.116 1.00 0.00 H new ATOM 928 N VAL A 66 -15.458 0.234 -4.969 1.00 0.00 N ATOM 929 CA VAL A 66 -15.528 1.163 -3.853 1.00 0.00 C ATOM 930 C VAL A 66 -14.476 2.258 -4.041 1.00 0.00 C ATOM 931 O VAL A 66 -13.490 2.062 -4.750 1.00 0.00 O ATOM 932 CB VAL A 66 -15.374 0.406 -2.532 1.00 0.00 C ATOM 933 CG1 VAL A 66 -15.235 1.377 -1.358 1.00 0.00 C ATOM 934 CG2 VAL A 66 -16.543 -0.556 -2.313 1.00 0.00 C ATOM 0 H VAL A 66 -14.535 -0.168 -5.132 1.00 0.00 H new ATOM 0 HA VAL A 66 -16.503 1.650 -3.821 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.460 -0.185 -2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -15.127 0.814 -0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -14.356 2.004 -1.506 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.123 2.006 -1.299 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -16.409 -1.082 -1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -17.477 0.006 -2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -16.577 -1.279 -3.128 1.00 0.00 H new ATOM 944 N ASP A 67 -14.721 3.386 -3.391 1.00 0.00 N ATOM 945 CA ASP A 67 -13.807 4.513 -3.477 1.00 0.00 C ATOM 946 C ASP A 67 -12.650 4.301 -2.500 1.00 0.00 C ATOM 947 O ASP A 67 -12.867 4.140 -1.300 1.00 0.00 O ATOM 948 CB ASP A 67 -14.508 5.821 -3.104 1.00 0.00 C ATOM 949 CG ASP A 67 -14.401 6.933 -4.149 1.00 0.00 C ATOM 950 OD1 ASP A 67 -15.108 6.819 -5.173 1.00 0.00 O ATOM 951 OD2 ASP A 67 -13.616 7.872 -3.899 1.00 0.00 O ATOM 0 H ASP A 67 -15.539 3.544 -2.803 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.447 4.577 -4.504 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -15.563 5.612 -2.925 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.091 6.184 -2.165 1.00 0.00 H new ATOM 956 N CYS A 68 -11.444 4.308 -3.049 1.00 0.00 N ATOM 957 CA CYS A 68 -10.252 4.119 -2.241 1.00 0.00 C ATOM 958 C CYS A 68 -9.216 5.163 -2.661 1.00 0.00 C ATOM 959 O CYS A 68 -8.047 4.837 -2.861 1.00 0.00 O ATOM 960 CB CYS A 68 -9.708 2.694 -2.361 1.00 0.00 C ATOM 961 SG CYS A 68 -10.777 1.535 -1.432 1.00 0.00 S ATOM 0 H CYS A 68 -11.267 4.442 -4.045 1.00 0.00 H new ATOM 0 HA CYS A 68 -10.498 4.256 -1.188 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -9.664 2.400 -3.410 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.690 2.651 -1.975 1.00 0.00 H new ATOM 0 HG CYS A 68 -10.584 0.325 -1.866 1.00 0.00 H new ATOM 967 N LYS A 69 -9.682 6.397 -2.782 1.00 0.00 N ATOM 968 CA LYS A 69 -8.810 7.491 -3.175 1.00 0.00 C ATOM 969 C LYS A 69 -8.541 8.384 -1.961 1.00 0.00 C ATOM 970 O LYS A 69 -7.493 9.021 -1.876 1.00 0.00 O ATOM 971 CB LYS A 69 -9.397 8.241 -4.372 1.00 0.00 C ATOM 972 CG LYS A 69 -8.316 8.551 -5.409 1.00 0.00 C ATOM 973 CD LYS A 69 -8.516 9.944 -6.010 1.00 0.00 C ATOM 974 CE LYS A 69 -9.723 9.966 -6.951 1.00 0.00 C ATOM 975 NZ LYS A 69 -9.355 10.571 -8.251 1.00 0.00 N ATOM 0 H LYS A 69 -10.652 6.664 -2.615 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.846 7.108 -3.510 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.184 7.642 -4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.858 9.169 -4.034 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.332 8.490 -4.944 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.341 7.802 -6.201 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.660 10.672 -5.211 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.620 10.241 -6.555 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.089 8.951 -7.106 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.536 10.532 -6.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.185 10.578 -8.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.027 11.546 -8.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.594 10.014 -8.690 1.00 0.00 H new ATOM 989 N TRP A 70 -9.506 8.400 -1.053 1.00 0.00 N ATOM 990 CA TRP A 70 -9.386 9.204 0.151 1.00 0.00 C ATOM 991 C TRP A 70 -9.116 8.260 1.325 1.00 0.00 C ATOM 992 O TRP A 70 -8.362 8.597 2.236 1.00 0.00 O ATOM 993 CB TRP A 70 -10.629 10.073 0.356 1.00 0.00 C ATOM 994 CG TRP A 70 -11.163 10.708 -0.929 1.00 0.00 C ATOM 995 CD1 TRP A 70 -11.884 10.128 -1.898 1.00 0.00 C ATOM 996 CD2 TRP A 70 -10.988 12.078 -1.348 1.00 0.00 C ATOM 997 NE1 TRP A 70 -12.186 11.020 -2.907 1.00 0.00 N ATOM 998 CE2 TRP A 70 -11.623 12.244 -2.562 1.00 0.00 C ATOM 999 CE3 TRP A 70 -10.315 13.142 -0.722 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -11.648 13.460 -3.254 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -10.349 14.351 -1.427 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -10.984 14.534 -2.650 1.00 0.00 C ATOM 0 H TRP A 70 -10.374 7.869 -1.127 1.00 0.00 H new ATOM 0 HA TRP A 70 -8.553 9.902 0.067 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -11.415 9.465 0.802 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -10.394 10.863 1.069 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -12.190 9.092 -1.890 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -12.723 10.819 -3.750 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -9.812 13.035 0.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -12.153 13.564 -4.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -9.847 15.201 -0.990 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -10.965 15.500 -3.132 1.00 0.00 H new ATOM 1013 N LEU A 71 -9.747 7.097 1.264 1.00 0.00 N ATOM 1014 CA LEU A 71 -9.585 6.102 2.310 1.00 0.00 C ATOM 1015 C LEU A 71 -8.118 6.060 2.745 1.00 0.00 C ATOM 1016 O LEU A 71 -7.225 6.363 1.956 1.00 0.00 O ATOM 1017 CB LEU A 71 -10.129 4.748 1.851 1.00 0.00 C ATOM 1018 CG LEU A 71 -11.636 4.683 1.593 1.00 0.00 C ATOM 1019 CD1 LEU A 71 -12.118 3.233 1.523 1.00 0.00 C ATOM 1020 CD2 LEU A 71 -12.406 5.494 2.637 1.00 0.00 C ATOM 0 H LEU A 71 -10.372 6.821 0.506 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.171 6.374 3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.611 4.462 0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.877 4.003 2.606 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.837 5.136 0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.192 3.215 1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.602 2.717 0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.903 2.732 2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.474 5.431 2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.204 5.093 3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.089 6.536 2.595 1.00 0.00 H new ATOM 1032 N THR A 72 -7.917 5.682 3.999 1.00 0.00 N ATOM 1033 CA THR A 72 -6.574 5.597 4.548 1.00 0.00 C ATOM 1034 C THR A 72 -5.990 4.202 4.314 1.00 0.00 C ATOM 1035 O THR A 72 -6.455 3.468 3.443 1.00 0.00 O ATOM 1036 CB THR A 72 -6.642 5.987 6.025 1.00 0.00 C ATOM 1037 OG1 THR A 72 -7.362 4.919 6.634 1.00 0.00 O ATOM 1038 CG2 THR A 72 -7.522 7.216 6.267 1.00 0.00 C ATOM 0 H THR A 72 -8.661 5.431 4.650 1.00 0.00 H new ATOM 0 HA THR A 72 -5.896 6.287 4.046 1.00 0.00 H new ATOM 0 HB THR A 72 -5.636 6.183 6.395 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.451 5.090 7.595 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.536 7.450 7.332 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.121 8.065 5.714 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.537 7.009 5.928 1.00 0.00 H new ATOM 1046 N VAL A 73 -4.979 3.878 5.107 1.00 0.00 N ATOM 1047 CA VAL A 73 -4.327 2.584 4.998 1.00 0.00 C ATOM 1048 C VAL A 73 -5.180 1.527 5.702 1.00 0.00 C ATOM 1049 O VAL A 73 -5.199 0.367 5.293 1.00 0.00 O ATOM 1050 CB VAL A 73 -2.902 2.668 5.549 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -2.374 1.280 5.917 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -1.970 3.365 4.556 1.00 0.00 C ATOM 0 H VAL A 73 -4.595 4.489 5.828 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.239 2.287 3.953 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.929 3.268 6.459 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.360 1.368 6.306 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.017 0.836 6.677 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.369 0.646 5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.964 3.411 4.972 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.950 2.805 3.621 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.331 4.376 4.366 1.00 0.00 H new ATOM 1062 N SER A 74 -5.863 1.965 6.749 1.00 0.00 N ATOM 1063 CA SER A 74 -6.716 1.071 7.513 1.00 0.00 C ATOM 1064 C SER A 74 -7.979 0.742 6.715 1.00 0.00 C ATOM 1065 O SER A 74 -8.225 -0.418 6.386 1.00 0.00 O ATOM 1066 CB SER A 74 -7.087 1.685 8.865 1.00 0.00 C ATOM 1067 OG SER A 74 -7.321 0.690 9.857 1.00 0.00 O ATOM 0 H SER A 74 -5.843 2.927 7.086 1.00 0.00 H new ATOM 0 HA SER A 74 -6.164 0.150 7.702 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.285 2.345 9.196 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.980 2.300 8.751 1.00 0.00 H new ATOM 0 HG SER A 74 -7.553 1.122 10.705 1.00 0.00 H new ATOM 1073 N GLU A 75 -8.746 1.783 6.427 1.00 0.00 N ATOM 1074 CA GLU A 75 -9.977 1.619 5.673 1.00 0.00 C ATOM 1075 C GLU A 75 -9.787 0.584 4.563 1.00 0.00 C ATOM 1076 O GLU A 75 -10.497 -0.420 4.516 1.00 0.00 O ATOM 1077 CB GLU A 75 -10.452 2.956 5.101 1.00 0.00 C ATOM 1078 CG GLU A 75 -11.473 3.618 6.028 1.00 0.00 C ATOM 1079 CD GLU A 75 -10.902 4.892 6.653 1.00 0.00 C ATOM 1080 OE1 GLU A 75 -10.694 5.856 5.885 1.00 0.00 O ATOM 1081 OE2 GLU A 75 -10.685 4.874 7.883 1.00 0.00 O ATOM 0 H GLU A 75 -8.539 2.743 6.702 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.749 1.257 6.351 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.599 3.620 4.961 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.897 2.798 4.119 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.377 3.857 5.467 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.761 2.921 6.815 1.00 0.00 H new ATOM 1088 N VAL A 76 -8.824 0.863 3.696 1.00 0.00 N ATOM 1089 CA VAL A 76 -8.531 -0.031 2.589 1.00 0.00 C ATOM 1090 C VAL A 76 -8.222 -1.427 3.135 1.00 0.00 C ATOM 1091 O VAL A 76 -8.916 -2.391 2.814 1.00 0.00 O ATOM 1092 CB VAL A 76 -7.396 0.543 1.739 1.00 0.00 C ATOM 1093 CG1 VAL A 76 -6.981 -0.441 0.643 1.00 0.00 C ATOM 1094 CG2 VAL A 76 -7.789 1.896 1.142 1.00 0.00 C ATOM 0 H VAL A 76 -8.237 1.696 3.738 1.00 0.00 H new ATOM 0 HA VAL A 76 -9.396 -0.122 1.932 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.536 0.701 2.390 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.173 -0.009 0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.641 -1.371 1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.834 -0.645 -0.005 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.965 2.282 0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.670 1.774 0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.013 2.597 1.946 1.00 0.00 H new ATOM 1104 N MET A 77 -7.180 -1.491 3.951 1.00 0.00 N ATOM 1105 CA MET A 77 -6.771 -2.752 4.544 1.00 0.00 C ATOM 1106 C MET A 77 -7.986 -3.601 4.922 1.00 0.00 C ATOM 1107 O MET A 77 -7.978 -4.818 4.743 1.00 0.00 O ATOM 1108 CB MET A 77 -5.929 -2.480 5.793 1.00 0.00 C ATOM 1109 CG MET A 77 -4.436 -2.489 5.461 1.00 0.00 C ATOM 1110 SD MET A 77 -3.960 -4.089 4.830 1.00 0.00 S ATOM 1111 CE MET A 77 -2.666 -3.605 3.700 1.00 0.00 C ATOM 0 H MET A 77 -6.607 -0.690 4.215 1.00 0.00 H new ATOM 0 HA MET A 77 -6.182 -3.302 3.810 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.205 -1.515 6.219 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.141 -3.235 6.550 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.215 -1.718 4.723 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.855 -2.253 6.353 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.902 -4.382 3.667 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.086 -3.467 2.704 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.218 -2.670 4.038 1.00 0.00 H new ATOM 1121 N LYS A 78 -9.003 -2.925 5.438 1.00 0.00 N ATOM 1122 CA LYS A 78 -10.223 -3.601 5.843 1.00 0.00 C ATOM 1123 C LYS A 78 -11.034 -3.969 4.598 1.00 0.00 C ATOM 1124 O LYS A 78 -11.506 -5.098 4.472 1.00 0.00 O ATOM 1125 CB LYS A 78 -10.997 -2.751 6.852 1.00 0.00 C ATOM 1126 CG LYS A 78 -10.612 -3.117 8.287 1.00 0.00 C ATOM 1127 CD LYS A 78 -10.923 -1.968 9.248 1.00 0.00 C ATOM 1128 CE LYS A 78 -12.232 -2.221 10.000 1.00 0.00 C ATOM 1129 NZ LYS A 78 -12.895 -0.941 10.331 1.00 0.00 N ATOM 0 H LYS A 78 -9.006 -1.916 5.585 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.989 -4.532 6.359 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.793 -1.695 6.675 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.068 -2.897 6.710 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.154 -4.011 8.596 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.550 -3.356 8.332 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.106 -1.854 9.961 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.994 -1.033 8.692 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.896 -2.834 9.390 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.031 -2.780 10.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.781 -1.131 10.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.266 -0.369 10.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.104 -0.422 9.455 1.00 0.00 H new ATOM 1143 N LEU A 79 -11.170 -2.995 3.710 1.00 0.00 N ATOM 1144 CA LEU A 79 -11.916 -3.202 2.481 1.00 0.00 C ATOM 1145 C LEU A 79 -11.302 -4.372 1.709 1.00 0.00 C ATOM 1146 O LEU A 79 -11.970 -4.994 0.884 1.00 0.00 O ATOM 1147 CB LEU A 79 -11.989 -1.904 1.674 1.00 0.00 C ATOM 1148 CG LEU A 79 -13.392 -1.442 1.274 1.00 0.00 C ATOM 1149 CD1 LEU A 79 -13.717 -0.079 1.889 1.00 0.00 C ATOM 1150 CD2 LEU A 79 -13.555 -1.437 -0.247 1.00 0.00 C ATOM 0 H LEU A 79 -10.776 -2.060 3.818 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.949 -3.471 2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.519 -1.111 2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.397 -2.029 0.768 1.00 0.00 H new ATOM 0 HG LEU A 79 -14.113 -2.156 1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -14.720 0.226 1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -13.669 -0.149 2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -12.994 0.659 1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -14.561 -1.105 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.825 -0.759 -0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.396 -2.444 -0.633 1.00 0.00 H new ATOM 1162 N LEU A 80 -10.038 -4.636 2.003 1.00 0.00 N ATOM 1163 CA LEU A 80 -9.327 -5.720 1.347 1.00 0.00 C ATOM 1164 C LEU A 80 -9.536 -7.013 2.137 1.00 0.00 C ATOM 1165 O LEU A 80 -9.871 -8.048 1.563 1.00 0.00 O ATOM 1166 CB LEU A 80 -7.855 -5.353 1.148 1.00 0.00 C ATOM 1167 CG LEU A 80 -7.470 -4.858 -0.248 1.00 0.00 C ATOM 1168 CD1 LEU A 80 -6.124 -4.132 -0.220 1.00 0.00 C ATOM 1169 CD2 LEU A 80 -7.482 -6.006 -1.259 1.00 0.00 C ATOM 0 H LEU A 80 -9.487 -4.118 2.687 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.728 -5.888 0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.593 -4.581 1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.248 -6.228 1.382 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.218 -4.135 -0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.874 -3.790 -1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.187 -3.274 0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.351 -4.813 0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.205 -5.627 -2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.769 -6.770 -0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.481 -6.440 -1.305 1.00 0.00 H new ATOM 1181 N LYS A 81 -9.330 -6.912 3.442 1.00 0.00 N ATOM 1182 CA LYS A 81 -9.493 -8.061 4.317 1.00 0.00 C ATOM 1183 C LYS A 81 -10.905 -8.626 4.153 1.00 0.00 C ATOM 1184 O LYS A 81 -11.080 -9.834 4.004 1.00 0.00 O ATOM 1185 CB LYS A 81 -9.142 -7.690 5.759 1.00 0.00 C ATOM 1186 CG LYS A 81 -7.630 -7.738 5.986 1.00 0.00 C ATOM 1187 CD LYS A 81 -7.206 -6.747 7.072 1.00 0.00 C ATOM 1188 CE LYS A 81 -5.766 -6.279 6.855 1.00 0.00 C ATOM 1189 NZ LYS A 81 -5.189 -5.774 8.120 1.00 0.00 N ATOM 0 H LYS A 81 -9.052 -6.052 3.915 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.799 -8.854 4.038 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.515 -6.690 5.982 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.638 -8.376 6.446 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.334 -8.747 6.274 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.112 -7.507 5.055 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.876 -5.887 7.067 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.296 -7.215 8.052 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.162 -7.104 6.477 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.742 -5.494 6.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.211 -5.460 7.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.756 -4.973 8.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.194 -6.533 8.831 1.00 0.00 H new ATOM 1203 N SER A 82 -11.876 -7.725 4.186 1.00 0.00 N ATOM 1204 CA SER A 82 -13.267 -8.118 4.044 1.00 0.00 C ATOM 1205 C SER A 82 -13.415 -9.108 2.886 1.00 0.00 C ATOM 1206 O SER A 82 -14.231 -10.026 2.950 1.00 0.00 O ATOM 1207 CB SER A 82 -14.164 -6.900 3.817 1.00 0.00 C ATOM 1208 OG SER A 82 -15.532 -7.185 4.095 1.00 0.00 O ATOM 0 H SER A 82 -11.726 -6.724 4.309 1.00 0.00 H new ATOM 0 HA SER A 82 -13.582 -8.600 4.970 1.00 0.00 H new ATOM 0 HB2 SER A 82 -13.829 -6.080 4.451 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.066 -6.565 2.784 1.00 0.00 H new ATOM 0 HG SER A 82 -16.072 -6.382 3.940 1.00 0.00 H new ATOM 1214 N PHE A 83 -12.613 -8.887 1.855 1.00 0.00 N ATOM 1215 CA PHE A 83 -12.644 -9.748 0.685 1.00 0.00 C ATOM 1216 C PHE A 83 -11.565 -10.830 0.771 1.00 0.00 C ATOM 1217 O PHE A 83 -10.978 -11.209 -0.241 1.00 0.00 O ATOM 1218 CB PHE A 83 -12.364 -8.862 -0.530 1.00 0.00 C ATOM 1219 CG PHE A 83 -13.419 -7.780 -0.768 1.00 0.00 C ATOM 1220 CD1 PHE A 83 -14.739 -8.109 -0.789 1.00 0.00 C ATOM 1221 CD2 PHE A 83 -13.038 -6.488 -0.957 1.00 0.00 C ATOM 1222 CE1 PHE A 83 -15.718 -7.105 -1.009 1.00 0.00 C ATOM 1223 CE2 PHE A 83 -14.018 -5.484 -1.177 1.00 0.00 C ATOM 1224 CZ PHE A 83 -15.337 -5.813 -1.199 1.00 0.00 C ATOM 0 H PHE A 83 -11.938 -8.124 1.805 1.00 0.00 H new ATOM 0 HA PHE A 83 -13.612 -10.243 0.614 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -11.392 -8.385 -0.403 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.297 -9.491 -1.418 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -15.042 -9.135 -0.638 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -11.990 -6.226 -0.940 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -16.766 -7.367 -1.026 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.715 -4.458 -1.327 1.00 0.00 H new ATOM 0 HZ PHE A 83 -16.082 -5.049 -1.367 1.00 0.00 H new ATOM 1234 N GLY A 84 -11.337 -11.297 1.990 1.00 0.00 N ATOM 1235 CA GLY A 84 -10.340 -12.328 2.222 1.00 0.00 C ATOM 1236 C GLY A 84 -10.685 -13.607 1.455 1.00 0.00 C ATOM 1237 O GLY A 84 -11.790 -14.131 1.581 1.00 0.00 O ATOM 0 H GLY A 84 -11.826 -10.980 2.827 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.359 -11.967 1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.277 -12.545 3.288 1.00 0.00 H new ATOM 1241 N GLY A 85 -9.718 -14.072 0.678 1.00 0.00 N ATOM 1242 CA GLY A 85 -9.905 -15.279 -0.108 1.00 0.00 C ATOM 1243 C GLY A 85 -11.047 -15.108 -1.111 1.00 0.00 C ATOM 1244 O GLY A 85 -11.782 -16.055 -1.388 1.00 0.00 O ATOM 0 H GLY A 85 -8.802 -13.634 0.576 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.983 -15.518 -0.638 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.120 -16.118 0.553 1.00 0.00 H new ATOM 1248 N GLU A 86 -11.161 -13.894 -1.629 1.00 0.00 N ATOM 1249 CA GLU A 86 -12.202 -13.587 -2.595 1.00 0.00 C ATOM 1250 C GLU A 86 -11.646 -12.696 -3.708 1.00 0.00 C ATOM 1251 O GLU A 86 -11.123 -11.616 -3.441 1.00 0.00 O ATOM 1252 CB GLU A 86 -13.404 -12.929 -1.916 1.00 0.00 C ATOM 1253 CG GLU A 86 -14.142 -13.927 -1.021 1.00 0.00 C ATOM 1254 CD GLU A 86 -15.562 -14.176 -1.533 1.00 0.00 C ATOM 1255 OE1 GLU A 86 -15.675 -14.690 -2.667 1.00 0.00 O ATOM 1256 OE2 GLU A 86 -16.503 -13.848 -0.778 1.00 0.00 O ATOM 0 H GLU A 86 -10.549 -13.111 -1.398 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.545 -14.521 -3.040 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.070 -12.079 -1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.086 -12.540 -2.672 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.593 -14.868 -0.989 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.181 -13.546 -0.000 1.00 0.00 H new ATOM 1263 N GLU A 87 -11.779 -13.183 -4.934 1.00 0.00 N ATOM 1264 CA GLU A 87 -11.296 -12.444 -6.088 1.00 0.00 C ATOM 1265 C GLU A 87 -11.907 -11.042 -6.115 1.00 0.00 C ATOM 1266 O GLU A 87 -13.128 -10.892 -6.114 1.00 0.00 O ATOM 1267 CB GLU A 87 -11.597 -13.198 -7.386 1.00 0.00 C ATOM 1268 CG GLU A 87 -10.358 -13.265 -8.280 1.00 0.00 C ATOM 1269 CD GLU A 87 -10.375 -14.526 -9.147 1.00 0.00 C ATOM 1270 OE1 GLU A 87 -10.091 -15.605 -8.584 1.00 0.00 O ATOM 1271 OE2 GLU A 87 -10.672 -14.382 -10.352 1.00 0.00 O ATOM 0 H GLU A 87 -12.214 -14.079 -5.153 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.214 -12.345 -6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.938 -14.207 -7.154 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.408 -12.702 -7.919 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.317 -12.382 -8.917 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.459 -13.255 -7.663 1.00 0.00 H new ATOM 1278 N VAL A 88 -11.030 -10.049 -6.137 1.00 0.00 N ATOM 1279 CA VAL A 88 -11.467 -8.664 -6.164 1.00 0.00 C ATOM 1280 C VAL A 88 -10.798 -7.944 -7.336 1.00 0.00 C ATOM 1281 O VAL A 88 -9.878 -8.479 -7.953 1.00 0.00 O ATOM 1282 CB VAL A 88 -11.185 -8.000 -4.814 1.00 0.00 C ATOM 1283 CG1 VAL A 88 -11.746 -8.837 -3.663 1.00 0.00 C ATOM 1284 CG2 VAL A 88 -9.687 -7.749 -4.630 1.00 0.00 C ATOM 0 H VAL A 88 -10.018 -10.177 -6.137 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.544 -8.607 -6.321 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.691 -7.035 -4.803 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.532 -8.343 -2.715 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.824 -8.942 -3.782 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.282 -9.823 -3.671 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.513 -7.277 -3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.151 -8.697 -4.672 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.328 -7.094 -5.424 1.00 0.00 H new ATOM 1294 N GLU A 89 -11.286 -6.743 -7.608 1.00 0.00 N ATOM 1295 CA GLU A 89 -10.746 -5.945 -8.696 1.00 0.00 C ATOM 1296 C GLU A 89 -10.128 -4.655 -8.151 1.00 0.00 C ATOM 1297 O GLU A 89 -10.838 -3.690 -7.876 1.00 0.00 O ATOM 1298 CB GLU A 89 -11.823 -5.639 -9.738 1.00 0.00 C ATOM 1299 CG GLU A 89 -11.200 -5.381 -11.111 1.00 0.00 C ATOM 1300 CD GLU A 89 -12.198 -5.683 -12.231 1.00 0.00 C ATOM 1301 OE1 GLU A 89 -13.049 -4.803 -12.486 1.00 0.00 O ATOM 1302 OE2 GLU A 89 -12.087 -6.786 -12.808 1.00 0.00 O ATOM 0 H GLU A 89 -12.049 -6.303 -7.094 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.963 -6.520 -9.189 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.520 -6.475 -9.802 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.398 -4.767 -9.426 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.876 -4.342 -11.178 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.312 -6.001 -11.234 1.00 0.00 H new ATOM 1309 N MET A 90 -8.810 -4.682 -8.012 1.00 0.00 N ATOM 1310 CA MET A 90 -8.088 -3.527 -7.506 1.00 0.00 C ATOM 1311 C MET A 90 -7.607 -2.635 -8.652 1.00 0.00 C ATOM 1312 O MET A 90 -7.055 -3.127 -9.636 1.00 0.00 O ATOM 1313 CB MET A 90 -6.886 -3.996 -6.685 1.00 0.00 C ATOM 1314 CG MET A 90 -6.249 -2.829 -5.928 1.00 0.00 C ATOM 1315 SD MET A 90 -4.523 -2.688 -6.363 1.00 0.00 S ATOM 1316 CE MET A 90 -4.028 -4.397 -6.221 1.00 0.00 C ATOM 0 H MET A 90 -8.224 -5.485 -8.241 1.00 0.00 H new ATOM 0 HA MET A 90 -8.764 -2.946 -6.878 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.201 -4.764 -5.978 1.00 0.00 H new ATOM 0 HB3 MET A 90 -6.147 -4.453 -7.344 1.00 0.00 H new ATOM 0 HG2 MET A 90 -6.770 -1.902 -6.168 1.00 0.00 H new ATOM 0 HG3 MET A 90 -6.350 -2.983 -4.854 1.00 0.00 H new ATOM 0 HE1 MET A 90 -2.966 -4.450 -5.982 1.00 0.00 H new ATOM 0 HE2 MET A 90 -4.602 -4.877 -5.429 1.00 0.00 H new ATOM 0 HE3 MET A 90 -4.214 -4.909 -7.165 1.00 0.00 H new ATOM 1326 N LYS A 91 -7.832 -1.340 -8.487 1.00 0.00 N ATOM 1327 CA LYS A 91 -7.429 -0.376 -9.496 1.00 0.00 C ATOM 1328 C LYS A 91 -6.276 0.472 -8.953 1.00 0.00 C ATOM 1329 O LYS A 91 -6.300 0.890 -7.796 1.00 0.00 O ATOM 1330 CB LYS A 91 -8.631 0.448 -9.962 1.00 0.00 C ATOM 1331 CG LYS A 91 -9.266 -0.167 -11.211 1.00 0.00 C ATOM 1332 CD LYS A 91 -10.793 -0.128 -11.126 1.00 0.00 C ATOM 1333 CE LYS A 91 -11.363 -1.523 -10.866 1.00 0.00 C ATOM 1334 NZ LYS A 91 -12.781 -1.590 -11.285 1.00 0.00 N ATOM 0 H LYS A 91 -8.288 -0.936 -7.669 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.059 -0.888 -10.385 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.371 0.503 -9.163 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.316 1.469 -10.175 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.934 0.375 -12.097 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.931 -1.198 -11.324 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.099 0.548 -10.328 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.203 0.269 -12.055 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.781 -2.267 -11.410 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.279 -1.765 -9.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.153 -2.544 -11.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.335 -0.893 -10.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -12.853 -1.380 -12.301 1.00 0.00 H new ATOM 1348 N VAL A 92 -5.295 0.700 -9.814 1.00 0.00 N ATOM 1349 CA VAL A 92 -4.136 1.490 -9.435 1.00 0.00 C ATOM 1350 C VAL A 92 -3.781 2.447 -10.575 1.00 0.00 C ATOM 1351 O VAL A 92 -4.018 2.141 -11.743 1.00 0.00 O ATOM 1352 CB VAL A 92 -2.979 0.568 -9.045 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -3.356 -0.311 -7.851 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -2.533 -0.284 -10.235 1.00 0.00 C ATOM 0 H VAL A 92 -5.279 0.352 -10.773 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.358 2.098 -8.558 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.138 1.194 -8.747 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.516 -0.956 -7.595 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.602 0.321 -6.997 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.219 -0.924 -8.109 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.710 -0.930 -9.931 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.367 -0.896 -10.577 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.204 0.367 -11.045 1.00 0.00 H new ATOM 1364 N VAL A 93 -3.218 3.585 -10.197 1.00 0.00 N ATOM 1365 CA VAL A 93 -2.828 4.588 -11.173 1.00 0.00 C ATOM 1366 C VAL A 93 -1.405 5.061 -10.871 1.00 0.00 C ATOM 1367 O VAL A 93 -0.861 4.765 -9.808 1.00 0.00 O ATOM 1368 CB VAL A 93 -3.847 5.729 -11.187 1.00 0.00 C ATOM 1369 CG1 VAL A 93 -4.945 5.470 -12.221 1.00 0.00 C ATOM 1370 CG2 VAL A 93 -4.445 5.947 -9.796 1.00 0.00 C ATOM 0 H VAL A 93 -3.022 3.835 -9.228 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.823 4.163 -12.177 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.324 6.642 -11.474 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.656 6.296 -12.211 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.499 5.387 -13.212 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.463 4.542 -11.977 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.166 6.764 -9.834 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.945 5.036 -9.468 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.650 6.197 -9.093 1.00 0.00 H new ATOM 1380 N SER A 94 -0.843 5.789 -11.825 1.00 0.00 N ATOM 1381 CA SER A 94 0.507 6.306 -11.674 1.00 0.00 C ATOM 1382 C SER A 94 0.465 7.817 -11.440 1.00 0.00 C ATOM 1383 O SER A 94 -0.459 8.493 -11.889 1.00 0.00 O ATOM 1384 CB SER A 94 1.361 5.983 -12.902 1.00 0.00 C ATOM 1385 OG SER A 94 1.395 4.585 -13.176 1.00 0.00 O ATOM 0 H SER A 94 -1.298 6.033 -12.705 1.00 0.00 H new ATOM 0 HA SER A 94 0.964 5.823 -10.810 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.965 6.513 -13.768 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.376 6.346 -12.743 1.00 0.00 H new ATOM 0 HG SER A 94 1.949 4.420 -13.968 1.00 0.00 H new ATOM 1391 N LEU A 95 1.477 8.303 -10.736 1.00 0.00 N ATOM 1392 CA LEU A 95 1.568 9.722 -10.437 1.00 0.00 C ATOM 1393 C LEU A 95 2.599 10.370 -11.363 1.00 0.00 C ATOM 1394 O LEU A 95 3.725 9.888 -11.477 1.00 0.00 O ATOM 1395 CB LEU A 95 1.855 9.938 -8.950 1.00 0.00 C ATOM 1396 CG LEU A 95 2.222 11.365 -8.538 1.00 0.00 C ATOM 1397 CD1 LEU A 95 1.065 12.329 -8.809 1.00 0.00 C ATOM 1398 CD2 LEU A 95 2.680 11.415 -7.079 1.00 0.00 C ATOM 0 H LEU A 95 2.241 7.739 -10.364 1.00 0.00 H new ATOM 0 HA LEU A 95 0.614 10.214 -10.629 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.976 9.632 -8.383 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.670 9.276 -8.658 1.00 0.00 H new ATOM 0 HG LEU A 95 3.063 11.691 -9.150 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.352 13.336 -8.507 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.828 12.323 -9.873 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.190 12.016 -8.240 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.935 12.441 -6.813 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.876 11.061 -6.433 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.556 10.779 -6.951 1.00 0.00 H new ATOM 1410 N LEU A 96 2.177 11.451 -12.001 1.00 0.00 N ATOM 1411 CA LEU A 96 3.050 12.170 -12.914 1.00 0.00 C ATOM 1412 C LEU A 96 3.169 13.626 -12.459 1.00 0.00 C ATOM 1413 O LEU A 96 2.162 14.295 -12.236 1.00 0.00 O ATOM 1414 CB LEU A 96 2.562 12.015 -14.356 1.00 0.00 C ATOM 1415 CG LEU A 96 1.936 10.664 -14.710 1.00 0.00 C ATOM 1416 CD1 LEU A 96 1.035 10.784 -15.942 1.00 0.00 C ATOM 1417 CD2 LEU A 96 3.012 9.591 -14.889 1.00 0.00 C ATOM 0 H LEU A 96 1.242 11.847 -11.904 1.00 0.00 H new ATOM 0 HA LEU A 96 4.054 11.746 -12.894 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.829 12.797 -14.557 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.405 12.189 -15.025 1.00 0.00 H new ATOM 0 HG LEU A 96 1.305 10.351 -13.878 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.602 9.810 -16.173 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.236 11.497 -15.740 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.624 11.130 -16.791 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.540 8.641 -15.140 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.688 9.884 -15.692 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.575 9.483 -13.962 1.00 0.00 H new ATOM 1429 N ASP A 97 4.410 14.073 -12.334 1.00 0.00 N ATOM 1430 CA ASP A 97 4.674 15.437 -11.909 1.00 0.00 C ATOM 1431 C ASP A 97 5.045 16.284 -13.128 1.00 0.00 C ATOM 1432 O ASP A 97 5.280 15.750 -14.211 1.00 0.00 O ATOM 1433 CB ASP A 97 5.843 15.491 -10.923 1.00 0.00 C ATOM 1434 CG ASP A 97 6.986 14.518 -11.222 1.00 0.00 C ATOM 1435 OD1 ASP A 97 7.662 14.735 -12.250 1.00 0.00 O ATOM 1436 OD2 ASP A 97 7.157 13.578 -10.414 1.00 0.00 O ATOM 0 H ASP A 97 5.243 13.515 -12.520 1.00 0.00 H new ATOM 0 HA ASP A 97 3.775 15.818 -11.424 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.243 16.505 -10.912 1.00 0.00 H new ATOM 0 HB3 ASP A 97 5.464 15.286 -9.922 1.00 0.00 H new ATOM 1441 N SER A 98 5.085 17.590 -12.911 1.00 0.00 N ATOM 1442 CA SER A 98 5.423 18.516 -13.979 1.00 0.00 C ATOM 1443 C SER A 98 6.844 18.243 -14.478 1.00 0.00 C ATOM 1444 O SER A 98 7.043 17.919 -15.648 1.00 0.00 O ATOM 1445 CB SER A 98 5.294 19.967 -13.512 1.00 0.00 C ATOM 1446 OG SER A 98 4.578 20.768 -14.447 1.00 0.00 O ATOM 0 H SER A 98 4.889 18.029 -12.012 1.00 0.00 H new ATOM 0 HA SER A 98 4.721 18.363 -14.799 1.00 0.00 H new ATOM 0 HB2 SER A 98 4.786 19.994 -12.548 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.288 20.388 -13.360 1.00 0.00 H new ATOM 0 HG SER A 98 4.516 21.687 -14.111 1.00 0.00 H new ATOM 1452 N THR A 99 7.794 18.385 -13.566 1.00 0.00 N ATOM 1453 CA THR A 99 9.190 18.158 -13.899 1.00 0.00 C ATOM 1454 C THR A 99 10.048 18.166 -12.632 1.00 0.00 C ATOM 1455 O THR A 99 9.607 18.629 -11.582 1.00 0.00 O ATOM 1456 CB THR A 99 9.610 19.214 -14.923 1.00 0.00 C ATOM 1457 OG1 THR A 99 10.932 18.832 -15.294 1.00 0.00 O ATOM 1458 CG2 THR A 99 9.784 20.600 -14.299 1.00 0.00 C ATOM 0 H THR A 99 7.625 18.654 -12.597 1.00 0.00 H new ATOM 0 HA THR A 99 9.335 17.175 -14.347 1.00 0.00 H new ATOM 0 HB THR A 99 8.865 19.265 -15.717 1.00 0.00 H new ATOM 0 HG1 THR A 99 11.281 19.463 -15.958 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.082 21.311 -15.069 1.00 0.00 H new ATOM 0 HG22 THR A 99 8.841 20.920 -13.855 1.00 0.00 H new ATOM 0 HG23 THR A 99 10.553 20.558 -13.527 1.00 0.00 H new ATOM 1466 N SER A 100 11.259 17.647 -12.773 1.00 0.00 N ATOM 1467 CA SER A 100 12.184 17.588 -11.654 1.00 0.00 C ATOM 1468 C SER A 100 13.623 17.520 -12.166 1.00 0.00 C ATOM 1469 O SER A 100 13.861 17.141 -13.312 1.00 0.00 O ATOM 1470 CB SER A 100 11.883 16.388 -10.754 1.00 0.00 C ATOM 1471 OG SER A 100 11.725 15.186 -11.503 1.00 0.00 O ATOM 0 H SER A 100 11.621 17.263 -13.646 1.00 0.00 H new ATOM 0 HA SER A 100 12.060 18.494 -11.060 1.00 0.00 H new ATOM 0 HB2 SER A 100 12.692 16.263 -10.034 1.00 0.00 H new ATOM 0 HB3 SER A 100 10.975 16.582 -10.183 1.00 0.00 H new ATOM 0 HG SER A 100 11.536 14.443 -10.893 1.00 0.00 H new ATOM 1477 N SER A 101 14.547 17.892 -11.293 1.00 0.00 N ATOM 1478 CA SER A 101 15.957 17.878 -11.643 1.00 0.00 C ATOM 1479 C SER A 101 16.800 18.297 -10.437 1.00 0.00 C ATOM 1480 O SER A 101 16.372 19.124 -9.633 1.00 0.00 O ATOM 1481 CB SER A 101 16.239 18.798 -12.833 1.00 0.00 C ATOM 1482 OG SER A 101 17.527 18.565 -13.395 1.00 0.00 O ATOM 0 H SER A 101 14.347 18.205 -10.343 1.00 0.00 H new ATOM 0 HA SER A 101 16.227 16.862 -11.932 1.00 0.00 H new ATOM 0 HB2 SER A 101 15.477 18.646 -13.597 1.00 0.00 H new ATOM 0 HB3 SER A 101 16.166 19.837 -12.513 1.00 0.00 H new ATOM 0 HG SER A 101 17.668 19.171 -14.153 1.00 0.00 H new ATOM 1488 N MET A 102 17.983 17.707 -10.348 1.00 0.00 N ATOM 1489 CA MET A 102 18.890 18.009 -9.253 1.00 0.00 C ATOM 1490 C MET A 102 20.311 18.247 -9.768 1.00 0.00 C ATOM 1491 O MET A 102 20.860 17.419 -10.493 1.00 0.00 O ATOM 1492 CB MET A 102 18.896 16.846 -8.260 1.00 0.00 C ATOM 1493 CG MET A 102 18.692 17.347 -6.828 1.00 0.00 C ATOM 1494 SD MET A 102 18.016 16.042 -5.815 1.00 0.00 S ATOM 1495 CE MET A 102 19.389 15.764 -4.710 1.00 0.00 C ATOM 0 H MET A 102 18.335 17.021 -11.016 1.00 0.00 H new ATOM 0 HA MET A 102 18.545 18.918 -8.760 1.00 0.00 H new ATOM 0 HB2 MET A 102 18.107 16.139 -8.518 1.00 0.00 H new ATOM 0 HB3 MET A 102 19.842 16.308 -8.330 1.00 0.00 H new ATOM 0 HG2 MET A 102 19.642 17.685 -6.414 1.00 0.00 H new ATOM 0 HG3 MET A 102 18.020 18.205 -6.826 1.00 0.00 H new ATOM 0 HE1 MET A 102 19.134 14.973 -4.005 1.00 0.00 H new ATOM 0 HE2 MET A 102 20.266 15.468 -5.286 1.00 0.00 H new ATOM 0 HE3 MET A 102 19.607 16.681 -4.163 1.00 0.00 H new ATOM 1505 N HIS A 103 20.866 19.384 -9.374 1.00 0.00 N ATOM 1506 CA HIS A 103 22.212 19.742 -9.787 1.00 0.00 C ATOM 1507 C HIS A 103 23.064 20.045 -8.553 1.00 0.00 C ATOM 1508 O HIS A 103 22.583 20.652 -7.596 1.00 0.00 O ATOM 1509 CB HIS A 103 22.184 20.900 -10.787 1.00 0.00 C ATOM 1510 CG HIS A 103 22.893 20.607 -12.087 1.00 0.00 C ATOM 1511 ND1 HIS A 103 22.811 19.382 -12.726 1.00 0.00 N ATOM 1512 CD2 HIS A 103 23.697 21.391 -12.861 1.00 0.00 C ATOM 1513 CE1 HIS A 103 23.537 19.438 -13.833 1.00 0.00 C ATOM 1514 NE2 HIS A 103 24.086 20.684 -13.914 1.00 0.00 N ATOM 0 H HIS A 103 20.408 20.069 -8.773 1.00 0.00 H new ATOM 0 HA HIS A 103 22.672 18.901 -10.306 1.00 0.00 H new ATOM 0 HB2 HIS A 103 21.146 21.157 -11.001 1.00 0.00 H new ATOM 0 HB3 HIS A 103 22.640 21.776 -10.326 1.00 0.00 H new ATOM 0 HD2 HIS A 103 23.971 22.415 -12.652 1.00 0.00 H new ATOM 0 HE1 HIS A 103 23.671 18.638 -14.546 1.00 0.00 H new ATOM 0 HE2 HIS A 103 24.695 21.017 -14.661 1.00 0.00 H new ATOM 1522 N ASN A 104 24.313 19.609 -8.614 1.00 0.00 N ATOM 1523 CA ASN A 104 25.236 19.826 -7.513 1.00 0.00 C ATOM 1524 C ASN A 104 26.609 19.263 -7.886 1.00 0.00 C ATOM 1525 O ASN A 104 26.753 18.060 -8.098 1.00 0.00 O ATOM 1526 CB ASN A 104 24.760 19.112 -6.246 1.00 0.00 C ATOM 1527 CG ASN A 104 24.039 20.082 -5.308 1.00 0.00 C ATOM 1528 OD1 ASN A 104 24.211 21.288 -5.368 1.00 0.00 O ATOM 1529 ND2 ASN A 104 23.223 19.489 -4.441 1.00 0.00 N ATOM 0 H ASN A 104 24.708 19.106 -9.409 1.00 0.00 H new ATOM 0 HA ASN A 104 25.289 20.898 -7.324 1.00 0.00 H new ATOM 0 HB2 ASN A 104 24.090 18.295 -6.515 1.00 0.00 H new ATOM 0 HB3 ASN A 104 25.613 18.669 -5.732 1.00 0.00 H new ATOM 0 HD21 ASN A 104 22.695 20.050 -3.772 1.00 0.00 H new ATOM 0 HD22 ASN A 104 23.126 18.474 -4.445 1.00 0.00 H new ATOM 1536 N LYS A 105 27.582 20.159 -7.953 1.00 0.00 N ATOM 1537 CA LYS A 105 28.939 19.766 -8.296 1.00 0.00 C ATOM 1538 C LYS A 105 29.929 20.642 -7.526 1.00 0.00 C ATOM 1539 O LYS A 105 29.906 21.866 -7.648 1.00 0.00 O ATOM 1540 CB LYS A 105 29.138 19.800 -9.813 1.00 0.00 C ATOM 1541 CG LYS A 105 30.215 18.802 -10.246 1.00 0.00 C ATOM 1542 CD LYS A 105 31.523 19.520 -10.585 1.00 0.00 C ATOM 1543 CE LYS A 105 32.572 19.289 -9.495 1.00 0.00 C ATOM 1544 NZ LYS A 105 33.837 18.801 -10.089 1.00 0.00 N ATOM 0 H LYS A 105 27.458 21.156 -7.776 1.00 0.00 H new ATOM 0 HA LYS A 105 29.125 18.735 -7.996 1.00 0.00 H new ATOM 0 HB2 LYS A 105 28.198 19.566 -10.312 1.00 0.00 H new ATOM 0 HB3 LYS A 105 29.422 20.805 -10.124 1.00 0.00 H new ATOM 0 HG2 LYS A 105 30.389 18.080 -9.448 1.00 0.00 H new ATOM 0 HG3 LYS A 105 29.868 18.241 -11.114 1.00 0.00 H new ATOM 0 HD2 LYS A 105 31.902 19.161 -11.542 1.00 0.00 H new ATOM 0 HD3 LYS A 105 31.338 20.588 -10.696 1.00 0.00 H new ATOM 0 HE2 LYS A 105 32.752 20.217 -8.953 1.00 0.00 H new ATOM 0 HE3 LYS A 105 32.200 18.564 -8.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 34.538 18.649 -9.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 33.664 17.904 -10.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 34.199 19.506 -10.762 1.00 0.00 H new ATOM 1558 N SER A 106 30.775 19.981 -6.750 1.00 0.00 N ATOM 1559 CA SER A 106 31.772 20.684 -5.961 1.00 0.00 C ATOM 1560 C SER A 106 32.960 19.763 -5.677 1.00 0.00 C ATOM 1561 O SER A 106 32.831 18.541 -5.738 1.00 0.00 O ATOM 1562 CB SER A 106 31.174 21.198 -4.649 1.00 0.00 C ATOM 1563 OG SER A 106 31.566 22.539 -4.373 1.00 0.00 O ATOM 0 H SER A 106 30.791 18.966 -6.651 1.00 0.00 H new ATOM 0 HA SER A 106 32.117 21.545 -6.534 1.00 0.00 H new ATOM 0 HB2 SER A 106 30.087 21.141 -4.699 1.00 0.00 H new ATOM 0 HB3 SER A 106 31.489 20.552 -3.829 1.00 0.00 H new ATOM 0 HG SER A 106 31.163 22.831 -3.529 1.00 0.00 H new ATOM 1569 N GLY A 107 34.090 20.384 -5.372 1.00 0.00 N ATOM 1570 CA GLY A 107 35.300 19.635 -5.079 1.00 0.00 C ATOM 1571 C GLY A 107 36.534 20.347 -5.635 1.00 0.00 C ATOM 1572 O GLY A 107 36.855 20.211 -6.815 1.00 0.00 O ATOM 0 H GLY A 107 34.193 21.398 -5.321 1.00 0.00 H new ATOM 0 HA2 GLY A 107 35.403 19.510 -4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 107 35.227 18.636 -5.510 1.00 0.00 H new ATOM 1576 N PRO A 108 37.211 21.112 -4.736 1.00 0.00 N ATOM 1577 CA PRO A 108 38.403 21.846 -5.125 1.00 0.00 C ATOM 1578 C PRO A 108 39.600 20.906 -5.279 1.00 0.00 C ATOM 1579 O PRO A 108 39.479 19.701 -5.063 1.00 0.00 O ATOM 1580 CB PRO A 108 38.599 22.884 -4.032 1.00 0.00 C ATOM 1581 CG PRO A 108 37.789 22.395 -2.842 1.00 0.00 C ATOM 1582 CD PRO A 108 36.860 21.296 -3.331 1.00 0.00 C ATOM 0 HA PRO A 108 38.303 22.326 -6.099 1.00 0.00 H new ATOM 0 HB2 PRO A 108 39.653 22.984 -3.773 1.00 0.00 H new ATOM 0 HB3 PRO A 108 38.257 23.866 -4.360 1.00 0.00 H new ATOM 0 HG2 PRO A 108 38.448 22.018 -2.060 1.00 0.00 H new ATOM 0 HG3 PRO A 108 37.216 23.214 -2.408 1.00 0.00 H new ATOM 0 HD2 PRO A 108 37.002 20.376 -2.764 1.00 0.00 H new ATOM 0 HD3 PRO A 108 35.814 21.582 -3.218 1.00 0.00 H new ATOM 1590 N SER A 109 40.729 21.492 -5.650 1.00 0.00 N ATOM 1591 CA SER A 109 41.947 20.722 -5.835 1.00 0.00 C ATOM 1592 C SER A 109 43.143 21.664 -5.990 1.00 0.00 C ATOM 1593 O SER A 109 43.058 22.669 -6.694 1.00 0.00 O ATOM 1594 CB SER A 109 41.836 19.800 -7.050 1.00 0.00 C ATOM 1595 OG SER A 109 42.582 18.598 -6.879 1.00 0.00 O ATOM 0 H SER A 109 40.826 22.492 -5.828 1.00 0.00 H new ATOM 0 HA SER A 109 42.096 20.099 -4.953 1.00 0.00 H new ATOM 0 HB2 SER A 109 40.788 19.555 -7.224 1.00 0.00 H new ATOM 0 HB3 SER A 109 42.192 20.324 -7.937 1.00 0.00 H new ATOM 0 HG SER A 109 42.484 18.036 -7.676 1.00 0.00 H new ATOM 1601 N SER A 110 44.229 21.304 -5.321 1.00 0.00 N ATOM 1602 CA SER A 110 45.440 22.105 -5.377 1.00 0.00 C ATOM 1603 C SER A 110 46.548 21.434 -4.562 1.00 0.00 C ATOM 1604 O SER A 110 46.293 20.897 -3.485 1.00 0.00 O ATOM 1605 CB SER A 110 45.187 23.523 -4.861 1.00 0.00 C ATOM 1606 OG SER A 110 45.057 23.560 -3.442 1.00 0.00 O ATOM 0 H SER A 110 44.295 20.470 -4.738 1.00 0.00 H new ATOM 0 HA SER A 110 45.755 22.177 -6.418 1.00 0.00 H new ATOM 0 HB2 SER A 110 46.008 24.172 -5.167 1.00 0.00 H new ATOM 0 HB3 SER A 110 44.280 23.919 -5.319 1.00 0.00 H new ATOM 0 HG SER A 110 44.898 24.483 -3.152 1.00 0.00 H new ATOM 1612 N GLY A 111 47.754 21.486 -5.108 1.00 0.00 N ATOM 1613 CA GLY A 111 48.902 20.890 -4.446 1.00 0.00 C ATOM 1614 C GLY A 111 49.791 20.152 -5.448 1.00 0.00 C ATOM 1615 O GLY A 111 50.536 20.777 -6.201 1.00 0.00 O ATOM 0 H GLY A 111 47.961 21.932 -6.002 1.00 0.00 H new ATOM 0 HA2 GLY A 111 49.480 21.666 -3.944 1.00 0.00 H new ATOM 0 HA3 GLY A 111 48.563 20.197 -3.676 1.00 0.00 H new TER 1619 GLY A 111