USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1108 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 ASN : amide:sc= -6! C(o=-11!,f=-15!) USER MOD Set 1.2: A 95 GLN : amide:sc= -4.86! C(o=-11!,f=-14!) USER MOD Set 1.3: A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 89 THR OG1 : rot -76:sc= 0.202 USER MOD Set 2.2: A 97 CYS SG : rot 100:sc= 0.0815 USER MOD Set 3.1: A 84 LYS NZ :NH3+ -127:sc= 0.595 (180deg=0) USER MOD Set 3.2: A 85 HIS : no HD1:sc= -16.4! C(o=-16!,f=-14!) USER MOD Set 4.1: A 76 LYS NZ :NH3+ 155:sc= 0.584 (180deg=0) USER MOD Set 4.2: A 79 SER OG : rot 17:sc= -2.14! USER MOD Set 5.1: A 69 SER OG : rot -97:sc= -0.0213 USER MOD Set 5.2: A 120 ASN : amide:sc= 1.33 K(o=1.3,f=-4!) USER MOD Set 6.1: A 19 ASN : amide:sc= -4.94! C(o=-6.3!,f=-12!) USER MOD Set 6.2: A 73 GLN : amide:sc= -1.38 K(o=-6.3,f=-16!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -129:sc= -0.0891 (180deg=-0.832) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0761) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.498 USER MOD Single : A 8 GLN : amide:sc=-0.00664 X(o=-0.0066,f=0) USER MOD Single : A 10 GLN : amide:sc=-0.00884 X(o=-0.0088,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -160:sc= -2.55! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -3.43! C(o=-3.4!,f=-3.4!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 167:sc= -3.36! USER MOD Single : A 28 GLN : amide:sc= -1.23 X(o=-1.2,f=-1.6) USER MOD Single : A 29 LYS NZ :NH3+ -122:sc= -8.29! (180deg=-11.8!) USER MOD Single : A 30 CYS SG : rot 66:sc= -10.8! USER MOD Single : A 32 GLN : amide:sc= -1.39 K(o=-1.4,f=-3.5!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 160:sc= 0.106! USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0812 USER MOD Single : A 55 GLN : amide:sc= -0.0182 X(o=-0.018,f=-0.12) USER MOD Single : A 57 GLN : amide:sc= -0.26 K(o=-0.26,f=-2.5!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -134:sc= -10.2! (180deg=-18.7!) USER MOD Single : A 61 THR OG1 : rot 72:sc= -0.232 USER MOD Single : A 62 SER OG : rot -50:sc= 1.26 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.016 X(o=-0.016,f=-0.47) USER MOD Single : A 71 GLN : amide:sc= -2.57! C(o=-2.6!,f=-4.6!) USER MOD Single : A 82 LYS NZ :NH3+ 161:sc= 0.00496 (180deg=-0.193) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -150:sc= -16.2! (180deg=-21.4!) USER MOD Single : A 99 GLN : amide:sc= -3.13 K(o=-3.1,f=-14!) USER MOD Single : A 104 ASN : amide:sc= -0.954 K(o=-0.95,f=-5.5!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -1.73 K(o=-1.7,f=-7.8!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -155:sc= -0.096 (180deg=-0.587) USER MOD Single : A 128 TYR OH : rot 12:sc= -3.79! USER MOD Single : A 131 GLN : amide:sc= -10.3! C(o=-10!,f=-7.8!) USER MOD Single : A 133 LYS NZ :NH3+ 155:sc= -0.623! (180deg=-2.97!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.633 -12.395 8.964 1.00 0.00 N ATOM 2 CA MET A 1 25.048 -11.110 9.503 1.00 0.00 C ATOM 3 C MET A 1 24.603 -9.964 8.593 1.00 0.00 C ATOM 4 O MET A 1 24.471 -10.143 7.383 1.00 0.00 O ATOM 5 CB MET A 1 26.570 -11.085 9.649 1.00 0.00 C ATOM 6 CG MET A 1 27.047 -12.173 10.614 1.00 0.00 C ATOM 7 SD MET A 1 28.363 -13.119 9.866 1.00 0.00 S ATOM 8 CE MET A 1 29.617 -12.954 11.126 1.00 0.00 C ATOM 0 H1 MET A 1 24.138 -12.937 9.701 1.00 0.00 H new ATOM 0 H2 MET A 1 23.994 -12.243 8.158 1.00 0.00 H new ATOM 0 H3 MET A 1 25.470 -12.925 8.648 1.00 0.00 H new ATOM 0 HA MET A 1 24.579 -10.978 10.478 1.00 0.00 H new ATOM 0 HB2 MET A 1 27.035 -11.230 8.674 1.00 0.00 H new ATOM 0 HB3 MET A 1 26.888 -10.108 10.012 1.00 0.00 H new ATOM 0 HG2 MET A 1 27.396 -11.720 11.542 1.00 0.00 H new ATOM 0 HG3 MET A 1 26.217 -12.831 10.873 1.00 0.00 H new ATOM 0 HE1 MET A 1 30.515 -13.490 10.818 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.854 -11.900 11.267 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.249 -13.372 12.063 1.00 0.00 H new ATOM 18 N SER A 2 24.383 -8.812 9.210 1.00 0.00 N ATOM 19 CA SER A 2 23.956 -7.637 8.470 1.00 0.00 C ATOM 20 C SER A 2 22.594 -7.893 7.822 1.00 0.00 C ATOM 21 O SER A 2 22.415 -8.883 7.114 1.00 0.00 O ATOM 22 CB SER A 2 24.985 -7.251 7.406 1.00 0.00 C ATOM 23 OG SER A 2 26.071 -6.510 7.958 1.00 0.00 O ATOM 0 H SER A 2 24.492 -8.668 10.214 1.00 0.00 H new ATOM 0 HA SER A 2 23.868 -6.806 9.170 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.367 -8.153 6.927 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.500 -6.659 6.630 1.00 0.00 H new ATOM 0 HG SER A 2 26.707 -6.284 7.248 1.00 0.00 H new ATOM 29 N PHE A 3 21.667 -6.983 8.087 1.00 0.00 N ATOM 30 CA PHE A 3 20.327 -7.098 7.538 1.00 0.00 C ATOM 31 C PHE A 3 19.825 -5.746 7.028 1.00 0.00 C ATOM 32 O PHE A 3 19.684 -4.800 7.802 1.00 0.00 O ATOM 33 CB PHE A 3 19.417 -7.571 8.674 1.00 0.00 C ATOM 34 CG PHE A 3 20.121 -8.450 9.710 1.00 0.00 C ATOM 35 CD1 PHE A 3 20.520 -9.707 9.377 1.00 0.00 C ATOM 36 CD2 PHE A 3 20.348 -7.975 10.964 1.00 0.00 C ATOM 37 CE1 PHE A 3 21.173 -10.523 10.338 1.00 0.00 C ATOM 38 CE2 PHE A 3 21.002 -8.791 11.925 1.00 0.00 C ATOM 39 CZ PHE A 3 21.400 -10.048 11.592 1.00 0.00 C ATOM 0 H PHE A 3 21.818 -6.163 8.675 1.00 0.00 H new ATOM 0 HA PHE A 3 20.327 -7.795 6.700 1.00 0.00 H new ATOM 0 HB2 PHE A 3 18.998 -6.700 9.177 1.00 0.00 H new ATOM 0 HB3 PHE A 3 18.581 -8.127 8.249 1.00 0.00 H new ATOM 0 HD1 PHE A 3 20.340 -10.084 8.381 1.00 0.00 H new ATOM 0 HD2 PHE A 3 20.031 -6.977 11.229 1.00 0.00 H new ATOM 0 HE1 PHE A 3 21.490 -11.521 10.073 1.00 0.00 H new ATOM 0 HE2 PHE A 3 21.183 -8.413 12.920 1.00 0.00 H new ATOM 0 HZ PHE A 3 21.896 -10.669 12.323 1.00 0.00 H new ATOM 49 N TRP A 4 19.569 -5.698 5.729 1.00 0.00 N ATOM 50 CA TRP A 4 19.086 -4.477 5.106 1.00 0.00 C ATOM 51 C TRP A 4 17.576 -4.395 5.335 1.00 0.00 C ATOM 52 O TRP A 4 17.003 -3.307 5.337 1.00 0.00 O ATOM 53 CB TRP A 4 19.471 -4.427 3.626 1.00 0.00 C ATOM 54 CG TRP A 4 20.324 -3.216 3.246 1.00 0.00 C ATOM 55 CD1 TRP A 4 20.022 -2.229 2.391 1.00 0.00 C ATOM 56 CD2 TRP A 4 21.641 -2.901 3.745 1.00 0.00 C ATOM 57 NE1 TRP A 4 21.043 -1.305 2.302 1.00 0.00 N ATOM 58 CE2 TRP A 4 22.059 -1.727 3.152 1.00 0.00 C ATOM 59 CE3 TRP A 4 22.453 -3.585 4.667 1.00 0.00 C ATOM 60 CZ2 TRP A 4 23.300 -1.134 3.416 1.00 0.00 C ATOM 61 CZ3 TRP A 4 23.690 -2.980 4.919 1.00 0.00 C ATOM 62 CH2 TRP A 4 24.125 -1.799 4.331 1.00 0.00 C ATOM 0 H TRP A 4 19.687 -6.485 5.091 1.00 0.00 H new ATOM 0 HA TRP A 4 19.554 -3.602 5.557 1.00 0.00 H new ATOM 0 HB2 TRP A 4 20.016 -5.336 3.372 1.00 0.00 H new ATOM 0 HB3 TRP A 4 18.562 -4.421 3.025 1.00 0.00 H new ATOM 0 HD1 TRP A 4 19.095 -2.165 1.840 1.00 0.00 H new ATOM 0 HE1 TRP A 4 21.051 -0.467 1.720 1.00 0.00 H new ATOM 0 HE3 TRP A 4 22.146 -4.505 5.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 23.604 -0.214 2.940 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 24.353 -3.466 5.620 1.00 0.00 H new ATOM 0 HH2 TRP A 4 25.096 -1.395 4.579 1.00 0.00 H new ATOM 73 N LYS A 5 16.974 -5.560 5.521 1.00 0.00 N ATOM 74 CA LYS A 5 15.541 -5.635 5.750 1.00 0.00 C ATOM 75 C LYS A 5 15.262 -5.517 7.250 1.00 0.00 C ATOM 76 O LYS A 5 14.258 -4.932 7.654 1.00 0.00 O ATOM 77 CB LYS A 5 14.961 -6.899 5.114 1.00 0.00 C ATOM 78 CG LYS A 5 14.995 -6.810 3.587 1.00 0.00 C ATOM 79 CD LYS A 5 16.367 -7.215 3.044 1.00 0.00 C ATOM 80 CE LYS A 5 16.624 -6.581 1.676 1.00 0.00 C ATOM 81 NZ LYS A 5 17.973 -6.940 1.184 1.00 0.00 N ATOM 0 H LYS A 5 17.453 -6.461 5.518 1.00 0.00 H new ATOM 0 HA LYS A 5 15.034 -4.801 5.264 1.00 0.00 H new ATOM 0 HB2 LYS A 5 15.528 -7.769 5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 5 13.934 -7.041 5.451 1.00 0.00 H new ATOM 0 HG2 LYS A 5 14.227 -7.458 3.164 1.00 0.00 H new ATOM 0 HG3 LYS A 5 14.762 -5.793 3.273 1.00 0.00 H new ATOM 0 HD2 LYS A 5 17.144 -6.907 3.743 1.00 0.00 H new ATOM 0 HD3 LYS A 5 16.424 -8.300 2.962 1.00 0.00 H new ATOM 0 HE2 LYS A 5 15.870 -6.918 0.965 1.00 0.00 H new ATOM 0 HE3 LYS A 5 16.533 -5.497 1.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 18.058 -6.678 0.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 18.691 -6.430 1.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 18.119 -7.964 1.288 1.00 0.00 H new ATOM 95 N THR A 6 16.167 -6.083 8.034 1.00 0.00 N ATOM 96 CA THR A 6 16.031 -6.049 9.480 1.00 0.00 C ATOM 97 C THR A 6 14.560 -6.173 9.880 1.00 0.00 C ATOM 98 O THR A 6 13.752 -6.718 9.129 1.00 0.00 O ATOM 99 CB THR A 6 16.692 -4.766 9.988 1.00 0.00 C ATOM 100 OG1 THR A 6 16.786 -4.957 11.397 1.00 0.00 O ATOM 101 CG2 THR A 6 15.787 -3.541 9.837 1.00 0.00 C ATOM 0 H THR A 6 16.998 -6.568 7.695 1.00 0.00 H new ATOM 0 HA THR A 6 16.535 -6.897 9.944 1.00 0.00 H new ATOM 0 HB THR A 6 17.623 -4.599 9.446 1.00 0.00 H new ATOM 0 HG1 THR A 6 17.205 -4.172 11.806 1.00 0.00 H new ATOM 0 HG21 THR A 6 16.304 -2.658 10.212 1.00 0.00 H new ATOM 0 HG22 THR A 6 15.541 -3.398 8.785 1.00 0.00 H new ATOM 0 HG23 THR A 6 14.870 -3.694 10.406 1.00 0.00 H new ATOM 109 N LEU A 7 14.255 -5.659 11.063 1.00 0.00 N ATOM 110 CA LEU A 7 12.895 -5.706 11.572 1.00 0.00 C ATOM 111 C LEU A 7 12.585 -7.123 12.057 1.00 0.00 C ATOM 112 O LEU A 7 13.377 -8.041 11.849 1.00 0.00 O ATOM 113 CB LEU A 7 11.912 -5.187 10.521 1.00 0.00 C ATOM 114 CG LEU A 7 10.805 -4.264 11.036 1.00 0.00 C ATOM 115 CD1 LEU A 7 10.908 -2.876 10.399 1.00 0.00 C ATOM 116 CD2 LEU A 7 9.426 -4.891 10.823 1.00 0.00 C ATOM 0 H LEU A 7 14.927 -5.208 11.684 1.00 0.00 H new ATOM 0 HA LEU A 7 12.787 -5.044 12.431 1.00 0.00 H new ATOM 0 HB2 LEU A 7 12.477 -4.653 9.756 1.00 0.00 H new ATOM 0 HB3 LEU A 7 11.446 -6.043 10.034 1.00 0.00 H new ATOM 0 HG LEU A 7 10.939 -4.136 12.110 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.110 -2.240 10.782 1.00 0.00 H new ATOM 0 HD12 LEU A 7 11.874 -2.434 10.644 1.00 0.00 H new ATOM 0 HD13 LEU A 7 10.814 -2.964 9.317 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.657 -4.215 11.197 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.267 -5.068 9.759 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.370 -5.838 11.360 1.00 0.00 H new ATOM 128 N GLN A 8 11.432 -7.256 12.696 1.00 0.00 N ATOM 129 CA GLN A 8 11.008 -8.546 13.213 1.00 0.00 C ATOM 130 C GLN A 8 11.071 -9.606 12.111 1.00 0.00 C ATOM 131 O GLN A 8 11.582 -9.346 11.023 1.00 0.00 O ATOM 132 CB GLN A 8 9.603 -8.462 13.813 1.00 0.00 C ATOM 133 CG GLN A 8 9.576 -9.038 15.230 1.00 0.00 C ATOM 134 CD GLN A 8 8.152 -9.056 15.788 1.00 0.00 C ATOM 135 OE1 GLN A 8 7.483 -8.040 15.887 1.00 0.00 O ATOM 136 NE2 GLN A 8 7.726 -10.264 16.145 1.00 0.00 N ATOM 0 H GLN A 8 10.778 -6.492 12.867 1.00 0.00 H new ATOM 0 HA GLN A 8 11.691 -8.838 14.011 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.274 -7.423 13.833 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.901 -9.007 13.182 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.980 -10.050 15.223 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.218 -8.443 15.880 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.337 -11.073 16.036 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.788 -10.381 16.528 1.00 0.00 H new ATOM 145 N ARG A 9 10.543 -10.779 12.432 1.00 0.00 N ATOM 146 CA ARG A 9 10.533 -11.879 11.483 1.00 0.00 C ATOM 147 C ARG A 9 10.263 -11.358 10.069 1.00 0.00 C ATOM 148 O ARG A 9 9.322 -10.596 9.854 1.00 0.00 O ATOM 149 CB ARG A 9 9.467 -12.913 11.850 1.00 0.00 C ATOM 150 CG ARG A 9 10.074 -14.314 11.952 1.00 0.00 C ATOM 151 CD ARG A 9 9.520 -15.065 13.164 1.00 0.00 C ATOM 152 NE ARG A 9 10.119 -16.416 13.240 1.00 0.00 N ATOM 153 CZ ARG A 9 9.925 -17.268 14.256 1.00 0.00 C ATOM 154 NH1 ARG A 9 9.147 -16.914 15.288 1.00 0.00 N ATOM 155 NH2 ARG A 9 10.508 -18.474 14.239 1.00 0.00 N ATOM 0 H ARG A 9 10.120 -10.991 13.335 1.00 0.00 H new ATOM 0 HA ARG A 9 11.513 -12.356 11.517 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.005 -12.643 12.800 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.677 -12.909 11.099 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.858 -14.875 11.043 1.00 0.00 H new ATOM 0 HG3 ARG A 9 11.159 -14.239 12.031 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.738 -14.510 14.077 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.435 -15.143 13.089 1.00 0.00 H new ATOM 0 HE ARG A 9 10.717 -16.718 12.471 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.702 -15.996 15.300 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.999 -17.563 16.061 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.099 -18.744 13.453 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.361 -19.123 15.012 1.00 0.00 H new ATOM 169 N GLN A 10 11.105 -11.792 9.143 1.00 0.00 N ATOM 170 CA GLN A 10 10.969 -11.379 7.756 1.00 0.00 C ATOM 171 C GLN A 10 9.736 -12.030 7.127 1.00 0.00 C ATOM 172 O GLN A 10 9.490 -13.220 7.321 1.00 0.00 O ATOM 173 CB GLN A 10 12.232 -11.711 6.959 1.00 0.00 C ATOM 174 CG GLN A 10 12.380 -13.223 6.771 1.00 0.00 C ATOM 175 CD GLN A 10 13.589 -13.550 5.893 1.00 0.00 C ATOM 176 OE1 GLN A 10 13.474 -14.127 4.824 1.00 0.00 O ATOM 177 NE2 GLN A 10 14.751 -13.152 6.402 1.00 0.00 N ATOM 0 H GLN A 10 11.884 -12.425 9.325 1.00 0.00 H new ATOM 0 HA GLN A 10 10.837 -10.297 7.730 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.191 -11.222 5.986 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.107 -11.318 7.477 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.491 -13.705 7.742 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.476 -13.627 6.316 1.00 0.00 H new ATOM 0 HE21 GLN A 10 14.776 -12.674 7.303 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.617 -13.325 5.892 1.00 0.00 H new ATOM 186 N PRO A 11 8.973 -11.201 6.365 1.00 0.00 N ATOM 187 CA PRO A 11 7.772 -11.684 5.706 1.00 0.00 C ATOM 188 C PRO A 11 8.121 -12.539 4.486 1.00 0.00 C ATOM 189 O PRO A 11 9.219 -13.087 4.402 1.00 0.00 O ATOM 190 CB PRO A 11 6.989 -10.431 5.349 1.00 0.00 C ATOM 191 CG PRO A 11 7.987 -9.286 5.401 1.00 0.00 C ATOM 192 CD PRO A 11 9.234 -9.787 6.113 1.00 0.00 C ATOM 0 HA PRO A 11 7.179 -12.341 6.342 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.545 -10.517 4.357 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.171 -10.268 6.051 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.232 -8.947 4.394 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.562 -8.433 5.930 1.00 0.00 H new ATOM 0 HD2 PRO A 11 10.123 -9.652 5.497 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.405 -9.244 7.043 1.00 0.00 H new ATOM 200 N ARG A 12 7.167 -12.625 3.571 1.00 0.00 N ATOM 201 CA ARG A 12 7.360 -13.404 2.360 1.00 0.00 C ATOM 202 C ARG A 12 6.683 -12.716 1.173 1.00 0.00 C ATOM 203 O ARG A 12 7.353 -12.294 0.231 1.00 0.00 O ATOM 204 CB ARG A 12 6.790 -14.815 2.516 1.00 0.00 C ATOM 205 CG ARG A 12 7.785 -15.733 3.228 1.00 0.00 C ATOM 206 CD ARG A 12 7.673 -17.169 2.711 1.00 0.00 C ATOM 207 NE ARG A 12 8.574 -18.056 3.481 1.00 0.00 N ATOM 208 CZ ARG A 12 8.727 -19.365 3.239 1.00 0.00 C ATOM 209 NH1 ARG A 12 8.040 -19.947 2.247 1.00 0.00 N ATOM 210 NH2 ARG A 12 9.567 -20.092 3.989 1.00 0.00 N ATOM 0 H ARG A 12 6.258 -12.168 3.644 1.00 0.00 H new ATOM 0 HA ARG A 12 8.433 -13.476 2.179 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.859 -14.774 3.081 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.550 -15.225 1.535 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.799 -15.365 3.074 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.599 -15.714 4.302 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.644 -17.517 2.800 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.932 -17.204 1.653 1.00 0.00 H new ATOM 0 HE ARG A 12 9.112 -17.645 4.244 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.401 -19.394 1.676 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.156 -20.943 2.062 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.090 -19.649 4.744 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.683 -21.088 3.804 1.00 0.00 H new ATOM 224 N THR A 13 5.364 -12.623 1.257 1.00 0.00 N ATOM 225 CA THR A 13 4.590 -11.993 0.202 1.00 0.00 C ATOM 226 C THR A 13 4.407 -10.502 0.491 1.00 0.00 C ATOM 227 O THR A 13 3.830 -10.131 1.512 1.00 0.00 O ATOM 228 CB THR A 13 3.268 -12.753 0.068 1.00 0.00 C ATOM 229 OG1 THR A 13 3.634 -13.978 -0.560 1.00 0.00 O ATOM 230 CG2 THR A 13 2.313 -12.094 -0.929 1.00 0.00 C ATOM 0 H THR A 13 4.812 -12.974 2.040 1.00 0.00 H new ATOM 0 HA THR A 13 5.110 -12.044 -0.754 1.00 0.00 H new ATOM 0 HB THR A 13 2.786 -12.818 1.044 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.836 -14.533 -0.684 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.391 -12.672 -0.986 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.085 -11.080 -0.599 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.781 -12.059 -1.913 1.00 0.00 H new ATOM 238 N ILE A 14 4.910 -9.688 -0.425 1.00 0.00 N ATOM 239 CA ILE A 14 4.809 -8.246 -0.281 1.00 0.00 C ATOM 240 C ILE A 14 3.553 -7.752 -1.002 1.00 0.00 C ATOM 241 O ILE A 14 3.484 -7.785 -2.229 1.00 0.00 O ATOM 242 CB ILE A 14 6.097 -7.569 -0.756 1.00 0.00 C ATOM 243 CG1 ILE A 14 7.328 -8.368 -0.324 1.00 0.00 C ATOM 244 CG2 ILE A 14 6.160 -6.116 -0.280 1.00 0.00 C ATOM 245 CD1 ILE A 14 7.540 -8.274 1.188 1.00 0.00 C ATOM 0 H ILE A 14 5.389 -10.000 -1.270 1.00 0.00 H new ATOM 0 HA ILE A 14 4.701 -7.975 0.769 1.00 0.00 H new ATOM 0 HB ILE A 14 6.092 -7.551 -1.846 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.208 -9.412 -0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.210 -7.992 -0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.085 -5.658 -0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.308 -5.565 -0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.132 -6.088 0.809 1.00 0.00 H new ATOM 0 HD11 ILE A 14 8.421 -8.851 1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 14 7.684 -7.231 1.471 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.666 -8.673 1.703 1.00 0.00 H new ATOM 257 N SER A 15 2.592 -7.304 -0.207 1.00 0.00 N ATOM 258 CA SER A 15 1.342 -6.804 -0.754 1.00 0.00 C ATOM 259 C SER A 15 1.283 -5.281 -0.617 1.00 0.00 C ATOM 260 O SER A 15 1.068 -4.761 0.476 1.00 0.00 O ATOM 261 CB SER A 15 0.140 -7.446 -0.058 1.00 0.00 C ATOM 262 OG SER A 15 -0.251 -8.665 -0.684 1.00 0.00 O ATOM 0 H SER A 15 2.654 -7.277 0.811 1.00 0.00 H new ATOM 0 HA SER A 15 1.301 -7.070 -1.810 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.386 -7.637 0.987 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.698 -6.749 -0.066 1.00 0.00 H new ATOM 0 HG SER A 15 -1.020 -9.044 -0.209 1.00 0.00 H new ATOM 268 N LEU A 16 1.478 -4.610 -1.742 1.00 0.00 N ATOM 269 CA LEU A 16 1.450 -3.157 -1.762 1.00 0.00 C ATOM 270 C LEU A 16 0.464 -2.685 -2.832 1.00 0.00 C ATOM 271 O LEU A 16 0.384 -3.272 -3.910 1.00 0.00 O ATOM 272 CB LEU A 16 2.863 -2.597 -1.937 1.00 0.00 C ATOM 273 CG LEU A 16 3.002 -1.419 -2.903 1.00 0.00 C ATOM 274 CD1 LEU A 16 3.489 -0.165 -2.174 1.00 0.00 C ATOM 275 CD2 LEU A 16 3.905 -1.782 -4.084 1.00 0.00 C ATOM 0 H LEU A 16 1.656 -5.045 -2.647 1.00 0.00 H new ATOM 0 HA LEU A 16 1.094 -2.769 -0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.233 -2.286 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.512 -3.402 -2.282 1.00 0.00 H new ATOM 0 HG LEU A 16 2.016 -1.193 -3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.579 0.657 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.774 0.104 -1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.461 -0.362 -1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.987 -0.927 -4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.895 -2.051 -3.716 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.477 -2.627 -4.623 1.00 0.00 H new ATOM 287 N PHE A 17 -0.262 -1.628 -2.497 1.00 0.00 N ATOM 288 CA PHE A 17 -1.239 -1.070 -3.416 1.00 0.00 C ATOM 289 C PHE A 17 -0.743 0.250 -4.009 1.00 0.00 C ATOM 290 O PHE A 17 0.188 0.859 -3.485 1.00 0.00 O ATOM 291 CB PHE A 17 -2.512 -0.806 -2.609 1.00 0.00 C ATOM 292 CG PHE A 17 -3.197 -2.074 -2.094 1.00 0.00 C ATOM 293 CD1 PHE A 17 -2.784 -3.294 -2.529 1.00 0.00 C ATOM 294 CD2 PHE A 17 -4.218 -1.980 -1.201 1.00 0.00 C ATOM 295 CE1 PHE A 17 -3.419 -4.471 -2.052 1.00 0.00 C ATOM 296 CE2 PHE A 17 -4.853 -3.157 -0.723 1.00 0.00 C ATOM 297 CZ PHE A 17 -4.441 -4.377 -1.158 1.00 0.00 C ATOM 0 H PHE A 17 -0.193 -1.144 -1.602 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.415 -1.764 -4.238 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.266 -0.168 -1.760 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.216 -0.252 -3.231 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.972 -3.368 -3.238 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.546 -1.011 -0.855 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.091 -5.440 -2.398 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.664 -3.083 -0.013 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.924 -5.272 -0.794 1.00 0.00 H new ATOM 307 N THR A 18 -1.386 0.652 -5.095 1.00 0.00 N ATOM 308 CA THR A 18 -1.022 1.889 -5.766 1.00 0.00 C ATOM 309 C THR A 18 -1.977 3.015 -5.364 1.00 0.00 C ATOM 310 O THR A 18 -3.167 2.781 -5.162 1.00 0.00 O ATOM 311 CB THR A 18 -0.998 1.621 -7.272 1.00 0.00 C ATOM 312 OG1 THR A 18 -0.316 0.376 -7.392 1.00 0.00 O ATOM 313 CG2 THR A 18 -0.107 2.609 -8.028 1.00 0.00 C ATOM 0 H THR A 18 -2.157 0.143 -5.527 1.00 0.00 H new ATOM 0 HA THR A 18 -0.029 2.225 -5.465 1.00 0.00 H new ATOM 0 HB THR A 18 -2.013 1.673 -7.666 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.024 0.276 -8.306 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.125 2.375 -9.092 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.475 3.623 -7.873 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.915 2.534 -7.657 1.00 0.00 H new ATOM 321 N ASN A 19 -1.418 4.212 -5.260 1.00 0.00 N ATOM 322 CA ASN A 19 -2.205 5.375 -4.886 1.00 0.00 C ATOM 323 C ASN A 19 -1.692 6.599 -5.647 1.00 0.00 C ATOM 324 O ASN A 19 -1.709 7.712 -5.123 1.00 0.00 O ATOM 325 CB ASN A 19 -2.084 5.664 -3.388 1.00 0.00 C ATOM 326 CG ASN A 19 -3.454 5.624 -2.709 1.00 0.00 C ATOM 327 OD1 ASN A 19 -4.470 5.338 -3.320 1.00 0.00 O ATOM 328 ND2 ASN A 19 -3.425 5.927 -1.415 1.00 0.00 N ATOM 0 H ASN A 19 -0.430 4.401 -5.428 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.247 5.169 -5.130 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.423 4.931 -2.925 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.629 6.643 -3.239 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.289 5.929 -0.872 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.539 6.157 -0.965 1.00 0.00 H new ATOM 335 N ASP A 20 -1.248 6.352 -6.870 1.00 0.00 N ATOM 336 CA ASP A 20 -0.730 7.420 -7.709 1.00 0.00 C ATOM 337 C ASP A 20 0.337 8.198 -6.936 1.00 0.00 C ATOM 338 O ASP A 20 0.426 8.089 -5.714 1.00 0.00 O ATOM 339 CB ASP A 20 -1.839 8.399 -8.100 1.00 0.00 C ATOM 340 CG ASP A 20 -1.364 9.817 -8.426 1.00 0.00 C ATOM 341 OD1 ASP A 20 -0.830 10.464 -7.500 1.00 0.00 O ATOM 342 OD2 ASP A 20 -1.547 10.221 -9.595 1.00 0.00 O ATOM 0 H ASP A 20 -1.236 5.428 -7.301 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.312 6.970 -8.609 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.366 8.000 -8.967 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.560 8.452 -7.285 1.00 0.00 H new ATOM 347 N ILE A 21 1.119 8.965 -7.680 1.00 0.00 N ATOM 348 CA ILE A 21 2.177 9.761 -7.080 1.00 0.00 C ATOM 349 C ILE A 21 2.611 10.849 -8.064 1.00 0.00 C ATOM 350 O ILE A 21 2.100 11.967 -8.025 1.00 0.00 O ATOM 351 CB ILE A 21 3.323 8.863 -6.610 1.00 0.00 C ATOM 352 CG1 ILE A 21 3.015 7.390 -6.891 1.00 0.00 C ATOM 353 CG2 ILE A 21 3.644 9.110 -5.135 1.00 0.00 C ATOM 354 CD1 ILE A 21 2.654 7.176 -8.362 1.00 0.00 C ATOM 0 H ILE A 21 1.042 9.053 -8.693 1.00 0.00 H new ATOM 0 HA ILE A 21 1.813 10.267 -6.186 1.00 0.00 H new ATOM 0 HB ILE A 21 4.215 9.121 -7.181 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.879 6.778 -6.632 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.191 7.060 -6.259 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.462 8.459 -4.827 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.936 10.151 -4.996 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.763 8.897 -4.530 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.440 6.121 -8.534 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.775 7.770 -8.611 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.490 7.484 -8.990 1.00 0.00 H new ATOM 366 N ALA A 22 3.552 10.483 -8.923 1.00 0.00 N ATOM 367 CA ALA A 22 4.061 11.414 -9.915 1.00 0.00 C ATOM 368 C ALA A 22 3.885 10.812 -11.311 1.00 0.00 C ATOM 369 O ALA A 22 2.922 10.089 -11.562 1.00 0.00 O ATOM 370 CB ALA A 22 5.522 11.745 -9.603 1.00 0.00 C ATOM 0 H ALA A 22 3.975 9.555 -8.952 1.00 0.00 H new ATOM 0 HA ALA A 22 3.502 12.349 -9.886 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.904 12.444 -10.348 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.589 12.197 -8.613 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.115 10.831 -9.626 1.00 0.00 H new ATOM 376 N SER A 23 4.830 11.132 -12.182 1.00 0.00 N ATOM 377 CA SER A 23 4.792 10.632 -13.546 1.00 0.00 C ATOM 378 C SER A 23 3.867 9.416 -13.631 1.00 0.00 C ATOM 379 O SER A 23 2.739 9.522 -14.112 1.00 0.00 O ATOM 380 CB SER A 23 6.194 10.268 -14.039 1.00 0.00 C ATOM 381 OG SER A 23 6.617 11.105 -15.111 1.00 0.00 O ATOM 0 H SER A 23 5.627 11.732 -11.970 1.00 0.00 H new ATOM 0 HA SER A 23 4.404 11.422 -14.189 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.901 10.351 -13.214 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.205 9.228 -14.365 1.00 0.00 H new ATOM 0 HG SER A 23 7.517 10.842 -15.396 1.00 0.00 H new ATOM 387 N ASN A 24 4.377 8.289 -13.157 1.00 0.00 N ATOM 388 CA ASN A 24 3.611 7.055 -13.174 1.00 0.00 C ATOM 389 C ASN A 24 2.898 6.884 -11.831 1.00 0.00 C ATOM 390 O ASN A 24 3.398 7.327 -10.798 1.00 0.00 O ATOM 391 CB ASN A 24 4.522 5.844 -13.383 1.00 0.00 C ATOM 392 CG ASN A 24 4.089 5.037 -14.608 1.00 0.00 C ATOM 393 OD1 ASN A 24 4.759 4.997 -15.627 1.00 0.00 O ATOM 394 ND2 ASN A 24 2.933 4.397 -14.454 1.00 0.00 N ATOM 0 H ASN A 24 5.312 8.205 -12.759 1.00 0.00 H new ATOM 0 HA ASN A 24 2.895 7.114 -13.994 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.552 6.177 -13.508 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.497 5.209 -12.497 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.558 3.831 -15.215 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.422 4.472 -13.575 1.00 0.00 H new ATOM 401 N ILE A 25 1.742 6.240 -11.889 1.00 0.00 N ATOM 402 CA ILE A 25 0.955 6.005 -10.690 1.00 0.00 C ATOM 403 C ILE A 25 1.547 4.823 -9.920 1.00 0.00 C ATOM 404 O ILE A 25 1.795 4.921 -8.719 1.00 0.00 O ATOM 405 CB ILE A 25 -0.523 5.830 -11.044 1.00 0.00 C ATOM 406 CG1 ILE A 25 -1.107 7.124 -11.615 1.00 0.00 C ATOM 407 CG2 ILE A 25 -1.319 5.324 -9.840 1.00 0.00 C ATOM 408 CD1 ILE A 25 -0.344 8.345 -11.097 1.00 0.00 C ATOM 0 H ILE A 25 1.331 5.873 -12.748 1.00 0.00 H new ATOM 0 HA ILE A 25 1.000 6.871 -10.030 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.600 5.071 -11.823 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.063 7.098 -12.704 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.159 7.205 -11.341 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.366 5.208 -10.119 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.921 4.362 -9.519 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.238 6.041 -9.023 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.779 9.251 -11.518 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.411 8.381 -10.010 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.702 8.273 -11.394 1.00 0.00 H new ATOM 420 N LYS A 26 1.757 3.733 -10.644 1.00 0.00 N ATOM 421 CA LYS A 26 2.316 2.533 -10.044 1.00 0.00 C ATOM 422 C LYS A 26 3.843 2.617 -10.073 1.00 0.00 C ATOM 423 O LYS A 26 4.499 2.425 -9.050 1.00 0.00 O ATOM 424 CB LYS A 26 1.755 1.283 -10.725 1.00 0.00 C ATOM 425 CG LYS A 26 2.174 1.225 -12.196 1.00 0.00 C ATOM 426 CD LYS A 26 1.199 0.373 -13.010 1.00 0.00 C ATOM 427 CE LYS A 26 0.064 1.229 -13.577 1.00 0.00 C ATOM 428 NZ LYS A 26 0.059 1.170 -15.056 1.00 0.00 N ATOM 0 H LYS A 26 1.550 3.656 -11.640 1.00 0.00 H new ATOM 0 HA LYS A 26 2.021 2.457 -8.997 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.110 0.392 -10.207 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.667 1.282 -10.653 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.212 2.234 -12.607 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.179 0.810 -12.276 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.732 -0.117 -13.825 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.786 -0.415 -12.380 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.893 0.878 -13.190 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.181 2.262 -13.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.717 1.756 -15.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.965 1.527 -15.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.075 0.186 -15.364 1.00 0.00 H new ATOM 442 N SER A 27 4.366 2.903 -11.257 1.00 0.00 N ATOM 443 CA SER A 27 5.804 3.015 -11.432 1.00 0.00 C ATOM 444 C SER A 27 6.399 3.892 -10.329 1.00 0.00 C ATOM 445 O SER A 27 7.363 3.501 -9.673 1.00 0.00 O ATOM 446 CB SER A 27 6.147 3.586 -12.809 1.00 0.00 C ATOM 447 OG SER A 27 6.824 4.837 -12.714 1.00 0.00 O ATOM 0 H SER A 27 3.820 3.060 -12.104 1.00 0.00 H new ATOM 0 HA SER A 27 6.236 2.017 -11.365 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.772 2.876 -13.351 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.232 3.712 -13.388 1.00 0.00 H new ATOM 0 HG SER A 27 7.209 5.068 -13.585 1.00 0.00 H new ATOM 453 N GLN A 28 5.801 5.062 -10.160 1.00 0.00 N ATOM 454 CA GLN A 28 6.260 5.997 -9.148 1.00 0.00 C ATOM 455 C GLN A 28 5.939 5.467 -7.749 1.00 0.00 C ATOM 456 O GLN A 28 6.769 5.545 -6.846 1.00 0.00 O ATOM 457 CB GLN A 28 5.647 7.383 -9.363 1.00 0.00 C ATOM 458 CG GLN A 28 6.002 8.325 -8.211 1.00 0.00 C ATOM 459 CD GLN A 28 7.516 8.389 -8.002 1.00 0.00 C ATOM 460 OE1 GLN A 28 8.056 7.899 -7.024 1.00 0.00 O ATOM 461 NE2 GLN A 28 8.170 9.020 -8.974 1.00 0.00 N ATOM 0 H GLN A 28 5.002 5.384 -10.707 1.00 0.00 H new ATOM 0 HA GLN A 28 7.342 6.096 -9.238 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.006 7.801 -10.303 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.564 7.296 -9.446 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.618 9.323 -8.421 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.519 7.984 -7.295 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.657 9.408 -9.766 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.184 9.116 -8.927 1.00 0.00 H new ATOM 470 N LYS A 29 4.731 4.939 -7.615 1.00 0.00 N ATOM 471 CA LYS A 29 4.289 4.396 -6.341 1.00 0.00 C ATOM 472 C LYS A 29 5.467 3.705 -5.650 1.00 0.00 C ATOM 473 O LYS A 29 6.286 4.362 -5.009 1.00 0.00 O ATOM 474 CB LYS A 29 3.074 3.488 -6.539 1.00 0.00 C ATOM 475 CG LYS A 29 2.444 3.114 -5.195 1.00 0.00 C ATOM 476 CD LYS A 29 2.675 1.636 -4.874 1.00 0.00 C ATOM 477 CE LYS A 29 2.014 0.738 -5.922 1.00 0.00 C ATOM 478 NZ LYS A 29 3.041 0.043 -6.730 1.00 0.00 N ATOM 0 H LYS A 29 4.045 4.876 -8.367 1.00 0.00 H new ATOM 0 HA LYS A 29 3.956 5.196 -5.680 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.336 3.993 -7.163 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.374 2.584 -7.068 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.870 3.732 -4.405 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.374 3.322 -5.220 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.745 1.431 -4.837 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.272 1.407 -3.887 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.373 0.006 -5.430 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.375 1.336 -6.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.909 0.277 -7.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.987 0.348 -6.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.949 -0.985 -6.599 1.00 0.00 H new ATOM 492 N CYS A 30 5.514 2.390 -5.805 1.00 0.00 N ATOM 493 CA CYS A 30 6.578 1.604 -5.203 1.00 0.00 C ATOM 494 C CYS A 30 7.645 1.346 -6.269 1.00 0.00 C ATOM 495 O CYS A 30 8.837 1.326 -5.966 1.00 0.00 O ATOM 496 CB CYS A 30 6.047 0.302 -4.600 1.00 0.00 C ATOM 497 SG CYS A 30 6.401 0.254 -2.805 1.00 0.00 S ATOM 0 H CYS A 30 4.833 1.849 -6.338 1.00 0.00 H new ATOM 0 HA CYS A 30 7.019 2.158 -4.374 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.973 0.224 -4.770 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.510 -0.552 -5.093 1.00 0.00 H new ATOM 0 HG CYS A 30 5.724 1.187 -2.204 1.00 0.00 H new ATOM 503 N LEU A 31 7.179 1.154 -7.494 1.00 0.00 N ATOM 504 CA LEU A 31 8.078 0.898 -8.606 1.00 0.00 C ATOM 505 C LEU A 31 9.272 1.851 -8.520 1.00 0.00 C ATOM 506 O LEU A 31 10.396 1.476 -8.851 1.00 0.00 O ATOM 507 CB LEU A 31 7.324 0.975 -9.934 1.00 0.00 C ATOM 508 CG LEU A 31 6.752 -0.343 -10.458 1.00 0.00 C ATOM 509 CD1 LEU A 31 5.376 -0.130 -11.094 1.00 0.00 C ATOM 510 CD2 LEU A 31 7.729 -1.021 -11.421 1.00 0.00 C ATOM 0 H LEU A 31 6.190 1.171 -7.741 1.00 0.00 H new ATOM 0 HA LEU A 31 8.474 -0.116 -8.550 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.505 1.685 -9.823 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.998 1.381 -10.688 1.00 0.00 H new ATOM 0 HG LEU A 31 6.615 -1.016 -9.611 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.992 -1.083 -11.458 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.691 0.277 -10.351 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.464 0.568 -11.927 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.298 -1.956 -11.779 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.921 -0.362 -12.268 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.665 -1.228 -10.903 1.00 0.00 H new ATOM 522 N GLN A 32 8.988 3.066 -8.075 1.00 0.00 N ATOM 523 CA GLN A 32 10.024 4.076 -7.941 1.00 0.00 C ATOM 524 C GLN A 32 10.713 3.953 -6.581 1.00 0.00 C ATOM 525 O GLN A 32 11.900 4.249 -6.454 1.00 0.00 O ATOM 526 CB GLN A 32 9.450 5.480 -8.140 1.00 0.00 C ATOM 527 CG GLN A 32 9.449 5.868 -9.620 1.00 0.00 C ATOM 528 CD GLN A 32 10.868 5.849 -10.193 1.00 0.00 C ATOM 529 OE1 GLN A 32 11.171 5.151 -11.146 1.00 0.00 O ATOM 530 NE2 GLN A 32 11.717 6.653 -9.560 1.00 0.00 N ATOM 0 H GLN A 32 8.055 3.374 -7.802 1.00 0.00 H new ATOM 0 HA GLN A 32 10.769 3.910 -8.720 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.433 5.520 -7.749 1.00 0.00 H new ATOM 0 HB3 GLN A 32 10.038 6.201 -7.572 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.818 5.178 -10.180 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.018 6.862 -9.739 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.397 7.211 -8.768 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.688 6.712 -9.866 1.00 0.00 H new ATOM 539 N LEU A 33 9.939 3.516 -5.598 1.00 0.00 N ATOM 540 CA LEU A 33 10.461 3.350 -4.252 1.00 0.00 C ATOM 541 C LEU A 33 11.503 2.230 -4.248 1.00 0.00 C ATOM 542 O LEU A 33 12.598 2.399 -3.714 1.00 0.00 O ATOM 543 CB LEU A 33 9.318 3.130 -3.259 1.00 0.00 C ATOM 544 CG LEU A 33 9.693 2.431 -1.950 1.00 0.00 C ATOM 545 CD1 LEU A 33 10.951 3.051 -1.338 1.00 0.00 C ATOM 546 CD2 LEU A 33 8.518 2.435 -0.970 1.00 0.00 C ATOM 0 H LEU A 33 8.955 3.272 -5.707 1.00 0.00 H new ATOM 0 HA LEU A 33 10.968 4.258 -3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.881 4.099 -3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.542 2.544 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 33 9.923 1.389 -2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.195 2.536 -0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.782 2.953 -2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.773 4.106 -1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.811 1.932 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.233 3.463 -0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.671 1.912 -1.415 1.00 0.00 H new ATOM 558 N LEU A 34 11.127 1.112 -4.851 1.00 0.00 N ATOM 559 CA LEU A 34 12.016 -0.035 -4.923 1.00 0.00 C ATOM 560 C LEU A 34 13.055 0.199 -6.021 1.00 0.00 C ATOM 561 O LEU A 34 14.091 -0.463 -6.051 1.00 0.00 O ATOM 562 CB LEU A 34 11.212 -1.325 -5.102 1.00 0.00 C ATOM 563 CG LEU A 34 9.697 -1.159 -5.230 1.00 0.00 C ATOM 564 CD1 LEU A 34 9.289 -0.957 -6.691 1.00 0.00 C ATOM 565 CD2 LEU A 34 8.960 -2.336 -4.587 1.00 0.00 C ATOM 0 H LEU A 34 10.219 0.976 -5.294 1.00 0.00 H new ATOM 0 HA LEU A 34 12.562 -0.154 -3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.578 -1.837 -5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.416 -1.977 -4.253 1.00 0.00 H new ATOM 0 HG LEU A 34 9.405 -0.260 -4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.207 -0.842 -6.754 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.773 -0.063 -7.084 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.596 -1.823 -7.278 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.885 -2.193 -4.692 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.253 -3.262 -5.081 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.217 -2.392 -3.529 1.00 0.00 H new ATOM 577 N LYS A 35 12.742 1.143 -6.896 1.00 0.00 N ATOM 578 CA LYS A 35 13.636 1.473 -7.993 1.00 0.00 C ATOM 579 C LYS A 35 15.008 1.852 -7.431 1.00 0.00 C ATOM 580 O LYS A 35 16.007 1.819 -8.147 1.00 0.00 O ATOM 581 CB LYS A 35 13.017 2.553 -8.882 1.00 0.00 C ATOM 582 CG LYS A 35 14.069 3.172 -9.806 1.00 0.00 C ATOM 583 CD LYS A 35 13.531 3.315 -11.231 1.00 0.00 C ATOM 584 CE LYS A 35 14.114 2.238 -12.147 1.00 0.00 C ATOM 585 NZ LYS A 35 13.303 2.111 -13.379 1.00 0.00 N ATOM 0 H LYS A 35 11.882 1.690 -6.868 1.00 0.00 H new ATOM 0 HA LYS A 35 13.783 0.607 -8.638 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.213 2.122 -9.478 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.572 3.330 -8.260 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.363 4.150 -9.425 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.964 2.550 -9.812 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.444 3.241 -11.222 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.780 4.302 -11.620 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.142 2.490 -12.406 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.142 1.283 -11.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.712 1.376 -13.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.328 1.849 -13.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.298 3.019 -13.886 1.00 0.00 H new ATOM 599 N GLY A 36 15.012 2.203 -6.153 1.00 0.00 N ATOM 600 CA GLY A 36 16.245 2.587 -5.486 1.00 0.00 C ATOM 601 C GLY A 36 17.317 1.507 -5.651 1.00 0.00 C ATOM 602 O GLY A 36 18.160 1.596 -6.541 1.00 0.00 O ATOM 0 H GLY A 36 14.181 2.230 -5.562 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.607 3.529 -5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 36 16.053 2.755 -4.426 1.00 0.00 H new ATOM 606 N ASP A 37 17.248 0.513 -4.778 1.00 0.00 N ATOM 607 CA ASP A 37 18.202 -0.582 -4.815 1.00 0.00 C ATOM 608 C ASP A 37 17.536 -1.812 -5.434 1.00 0.00 C ATOM 609 O ASP A 37 16.326 -1.822 -5.656 1.00 0.00 O ATOM 610 CB ASP A 37 18.667 -0.956 -3.406 1.00 0.00 C ATOM 611 CG ASP A 37 20.152 -0.711 -3.129 1.00 0.00 C ATOM 612 OD1 ASP A 37 20.880 -0.465 -4.114 1.00 0.00 O ATOM 613 OD2 ASP A 37 20.525 -0.776 -1.938 1.00 0.00 O ATOM 0 H ASP A 37 16.546 0.443 -4.041 1.00 0.00 H new ATOM 0 HA ASP A 37 19.060 -0.261 -5.405 1.00 0.00 H new ATOM 0 HB2 ASP A 37 18.080 -0.389 -2.683 1.00 0.00 H new ATOM 0 HB3 ASP A 37 18.450 -2.011 -3.236 1.00 0.00 H new ATOM 618 N VAL A 38 18.355 -2.821 -5.696 1.00 0.00 N ATOM 619 CA VAL A 38 17.860 -4.053 -6.285 1.00 0.00 C ATOM 620 C VAL A 38 18.696 -5.229 -5.776 1.00 0.00 C ATOM 621 O VAL A 38 19.779 -5.033 -5.226 1.00 0.00 O ATOM 622 CB VAL A 38 17.856 -3.939 -7.811 1.00 0.00 C ATOM 623 CG1 VAL A 38 17.984 -5.316 -8.465 1.00 0.00 C ATOM 624 CG2 VAL A 38 16.603 -3.212 -8.303 1.00 0.00 C ATOM 0 H VAL A 38 19.358 -2.810 -5.511 1.00 0.00 H new ATOM 0 HA VAL A 38 16.828 -4.233 -5.983 1.00 0.00 H new ATOM 0 HB VAL A 38 18.723 -3.348 -8.105 1.00 0.00 H new ATOM 0 HG11 VAL A 38 17.978 -5.206 -9.549 1.00 0.00 H new ATOM 0 HG12 VAL A 38 18.919 -5.782 -8.152 1.00 0.00 H new ATOM 0 HG13 VAL A 38 17.146 -5.943 -8.160 1.00 0.00 H new ATOM 0 HG21 VAL A 38 16.625 -3.144 -9.391 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.716 -3.764 -7.992 1.00 0.00 H new ATOM 0 HG23 VAL A 38 16.574 -2.209 -7.878 1.00 0.00 H new ATOM 634 N SER A 39 18.162 -6.425 -5.978 1.00 0.00 N ATOM 635 CA SER A 39 18.846 -7.632 -5.546 1.00 0.00 C ATOM 636 C SER A 39 17.997 -8.861 -5.876 1.00 0.00 C ATOM 637 O SER A 39 17.306 -8.887 -6.894 1.00 0.00 O ATOM 638 CB SER A 39 19.152 -7.585 -4.048 1.00 0.00 C ATOM 639 OG SER A 39 19.814 -8.766 -3.601 1.00 0.00 O ATOM 0 H SER A 39 17.264 -6.584 -6.435 1.00 0.00 H new ATOM 0 HA SER A 39 19.793 -7.699 -6.081 1.00 0.00 H new ATOM 0 HB2 SER A 39 19.775 -6.717 -3.832 1.00 0.00 H new ATOM 0 HB3 SER A 39 18.223 -7.457 -3.492 1.00 0.00 H new ATOM 0 HG SER A 39 20.272 -8.584 -2.754 1.00 0.00 H new ATOM 645 N HIS A 40 18.076 -9.849 -4.998 1.00 0.00 N ATOM 646 CA HIS A 40 17.323 -11.078 -5.183 1.00 0.00 C ATOM 647 C HIS A 40 17.165 -11.791 -3.839 1.00 0.00 C ATOM 648 O HIS A 40 18.107 -12.410 -3.346 1.00 0.00 O ATOM 649 CB HIS A 40 17.977 -11.960 -6.249 1.00 0.00 C ATOM 650 CG HIS A 40 17.044 -12.977 -6.861 1.00 0.00 C ATOM 651 ND1 HIS A 40 16.788 -13.037 -8.220 1.00 0.00 N ATOM 652 CD2 HIS A 40 16.311 -13.973 -6.287 1.00 0.00 C ATOM 653 CE1 HIS A 40 15.936 -14.027 -8.442 1.00 0.00 C ATOM 654 NE2 HIS A 40 15.642 -14.606 -7.242 1.00 0.00 N ATOM 0 H HIS A 40 18.650 -9.824 -4.155 1.00 0.00 H new ATOM 0 HA HIS A 40 16.324 -10.845 -5.550 1.00 0.00 H new ATOM 0 HB2 HIS A 40 18.373 -11.323 -7.040 1.00 0.00 H new ATOM 0 HB3 HIS A 40 18.825 -12.481 -5.805 1.00 0.00 H new ATOM 0 HD2 HIS A 40 16.280 -14.207 -5.233 1.00 0.00 H new ATOM 0 HE1 HIS A 40 15.543 -14.323 -9.403 1.00 0.00 H new ATOM 0 HE2 HIS A 40 15.012 -15.396 -7.102 1.00 0.00 H new ATOM 662 N ARG A 41 15.967 -11.680 -3.284 1.00 0.00 N ATOM 663 CA ARG A 41 15.674 -12.306 -2.006 1.00 0.00 C ATOM 664 C ARG A 41 14.196 -12.695 -1.932 1.00 0.00 C ATOM 665 O ARG A 41 13.863 -13.810 -1.536 1.00 0.00 O ATOM 666 CB ARG A 41 16.006 -11.368 -0.843 1.00 0.00 C ATOM 667 CG ARG A 41 16.416 -9.986 -1.354 1.00 0.00 C ATOM 668 CD ARG A 41 17.938 -9.874 -1.472 1.00 0.00 C ATOM 669 NE ARG A 41 18.561 -10.031 -0.138 1.00 0.00 N ATOM 670 CZ ARG A 41 19.853 -10.327 0.057 1.00 0.00 C ATOM 671 NH1 ARG A 41 20.667 -10.500 -0.994 1.00 0.00 N ATOM 672 NH2 ARG A 41 20.332 -10.450 1.302 1.00 0.00 N ATOM 0 H ARG A 41 15.188 -11.166 -3.696 1.00 0.00 H new ATOM 0 HA ARG A 41 16.293 -13.199 -1.925 1.00 0.00 H new ATOM 0 HB2 ARG A 41 15.140 -11.275 -0.187 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.813 -11.794 -0.247 1.00 0.00 H new ATOM 0 HG2 ARG A 41 15.958 -9.803 -2.326 1.00 0.00 H new ATOM 0 HG3 ARG A 41 16.043 -9.218 -0.676 1.00 0.00 H new ATOM 0 HD2 ARG A 41 18.316 -10.638 -2.151 1.00 0.00 H new ATOM 0 HD3 ARG A 41 18.208 -8.907 -1.897 1.00 0.00 H new ATOM 0 HE ARG A 41 17.970 -9.906 0.684 1.00 0.00 H new ATOM 0 HH11 ARG A 41 20.303 -10.406 -1.942 1.00 0.00 H new ATOM 0 HH12 ARG A 41 21.651 -10.725 -0.846 1.00 0.00 H new ATOM 0 HH21 ARG A 41 19.713 -10.318 2.102 1.00 0.00 H new ATOM 0 HH22 ARG A 41 21.316 -10.675 1.450 1.00 0.00 H new ATOM 686 N PHE A 42 13.349 -11.752 -2.320 1.00 0.00 N ATOM 687 CA PHE A 42 11.915 -11.982 -2.303 1.00 0.00 C ATOM 688 C PHE A 42 11.236 -11.303 -3.495 1.00 0.00 C ATOM 689 O PHE A 42 11.865 -10.525 -4.211 1.00 0.00 O ATOM 690 CB PHE A 42 11.378 -11.367 -1.009 1.00 0.00 C ATOM 691 CG PHE A 42 12.470 -10.907 -0.040 1.00 0.00 C ATOM 692 CD1 PHE A 42 12.985 -9.653 -0.141 1.00 0.00 C ATOM 693 CD2 PHE A 42 12.924 -11.753 0.924 1.00 0.00 C ATOM 694 CE1 PHE A 42 13.997 -9.226 0.758 1.00 0.00 C ATOM 695 CE2 PHE A 42 13.936 -11.326 1.823 1.00 0.00 C ATOM 696 CZ PHE A 42 14.452 -10.072 1.721 1.00 0.00 C ATOM 0 H PHE A 42 13.629 -10.828 -2.648 1.00 0.00 H new ATOM 0 HA PHE A 42 11.710 -13.051 -2.362 1.00 0.00 H new ATOM 0 HB2 PHE A 42 10.745 -10.515 -1.259 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.745 -12.098 -0.506 1.00 0.00 H new ATOM 0 HD1 PHE A 42 12.624 -8.981 -0.906 1.00 0.00 H new ATOM 0 HD2 PHE A 42 12.515 -12.749 1.005 1.00 0.00 H new ATOM 0 HE1 PHE A 42 14.406 -8.230 0.677 1.00 0.00 H new ATOM 0 HE2 PHE A 42 14.296 -11.997 2.588 1.00 0.00 H new ATOM 0 HZ PHE A 42 15.223 -9.748 2.404 1.00 0.00 H new ATOM 706 N ASP A 43 9.963 -11.623 -3.671 1.00 0.00 N ATOM 707 CA ASP A 43 9.193 -11.054 -4.764 1.00 0.00 C ATOM 708 C ASP A 43 8.243 -9.989 -4.213 1.00 0.00 C ATOM 709 O ASP A 43 7.526 -10.234 -3.244 1.00 0.00 O ATOM 710 CB ASP A 43 8.350 -12.125 -5.460 1.00 0.00 C ATOM 711 CG ASP A 43 8.952 -12.684 -6.751 1.00 0.00 C ATOM 712 OD1 ASP A 43 8.849 -11.979 -7.777 1.00 0.00 O ATOM 713 OD2 ASP A 43 9.502 -13.805 -6.681 1.00 0.00 O ATOM 0 H ASP A 43 9.445 -12.269 -3.075 1.00 0.00 H new ATOM 0 HA ASP A 43 9.892 -10.623 -5.481 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.191 -12.949 -4.765 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.370 -11.705 -5.686 1.00 0.00 H new ATOM 718 N VAL A 44 8.268 -8.830 -4.854 1.00 0.00 N ATOM 719 CA VAL A 44 7.418 -7.727 -4.440 1.00 0.00 C ATOM 720 C VAL A 44 6.164 -7.699 -5.316 1.00 0.00 C ATOM 721 O VAL A 44 6.231 -7.980 -6.511 1.00 0.00 O ATOM 722 CB VAL A 44 8.205 -6.416 -4.480 1.00 0.00 C ATOM 723 CG1 VAL A 44 7.393 -5.270 -3.873 1.00 0.00 C ATOM 724 CG2 VAL A 44 9.555 -6.565 -3.775 1.00 0.00 C ATOM 0 H VAL A 44 8.864 -8.631 -5.658 1.00 0.00 H new ATOM 0 HA VAL A 44 7.091 -7.863 -3.409 1.00 0.00 H new ATOM 0 HB VAL A 44 8.398 -6.173 -5.525 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.976 -4.350 -3.914 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.469 -5.140 -4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.155 -5.503 -2.835 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.094 -5.619 -3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.393 -6.843 -2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.141 -7.339 -4.271 1.00 0.00 H new ATOM 734 N GLU A 45 5.049 -7.355 -4.687 1.00 0.00 N ATOM 735 CA GLU A 45 3.782 -7.286 -5.394 1.00 0.00 C ATOM 736 C GLU A 45 3.356 -5.828 -5.580 1.00 0.00 C ATOM 737 O GLU A 45 3.113 -5.120 -4.605 1.00 0.00 O ATOM 738 CB GLU A 45 2.701 -8.084 -4.662 1.00 0.00 C ATOM 739 CG GLU A 45 1.916 -8.966 -5.635 1.00 0.00 C ATOM 740 CD GLU A 45 1.613 -8.215 -6.933 1.00 0.00 C ATOM 741 OE1 GLU A 45 0.888 -7.201 -6.847 1.00 0.00 O ATOM 742 OE2 GLU A 45 2.114 -8.673 -7.983 1.00 0.00 O ATOM 0 H GLU A 45 4.997 -7.121 -3.695 1.00 0.00 H new ATOM 0 HA GLU A 45 3.913 -7.734 -6.379 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.161 -8.705 -3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.020 -7.400 -4.155 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.488 -9.867 -5.857 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.984 -9.286 -5.170 1.00 0.00 H new ATOM 749 N ILE A 46 3.280 -5.424 -6.840 1.00 0.00 N ATOM 750 CA ILE A 46 2.889 -4.063 -7.166 1.00 0.00 C ATOM 751 C ILE A 46 1.564 -4.088 -7.931 1.00 0.00 C ATOM 752 O ILE A 46 1.529 -4.450 -9.106 1.00 0.00 O ATOM 753 CB ILE A 46 4.016 -3.345 -7.911 1.00 0.00 C ATOM 754 CG1 ILE A 46 5.196 -3.062 -6.979 1.00 0.00 C ATOM 755 CG2 ILE A 46 3.502 -2.073 -8.589 1.00 0.00 C ATOM 756 CD1 ILE A 46 5.789 -4.362 -6.433 1.00 0.00 C ATOM 0 H ILE A 46 3.482 -6.015 -7.646 1.00 0.00 H new ATOM 0 HA ILE A 46 2.722 -3.486 -6.256 1.00 0.00 H new ATOM 0 HB ILE A 46 4.380 -4.005 -8.699 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.964 -2.506 -7.517 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.868 -2.433 -6.152 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.323 -1.582 -9.111 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.721 -2.332 -9.303 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.096 -1.398 -7.836 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.626 -4.131 -5.774 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.026 -4.904 -5.875 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.139 -4.978 -7.261 1.00 0.00 H new ATOM 768 N ALA A 47 0.507 -3.698 -7.234 1.00 0.00 N ATOM 769 CA ALA A 47 -0.816 -3.671 -7.833 1.00 0.00 C ATOM 770 C ALA A 47 -1.542 -2.395 -7.400 1.00 0.00 C ATOM 771 O ALA A 47 -1.452 -1.989 -6.243 1.00 0.00 O ATOM 772 CB ALA A 47 -1.580 -4.938 -7.442 1.00 0.00 C ATOM 0 H ALA A 47 0.540 -3.398 -6.260 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.744 -3.656 -8.921 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.573 -4.918 -7.892 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.038 -5.814 -7.798 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.674 -4.986 -6.357 1.00 0.00 H new ATOM 778 N ASN A 48 -2.244 -1.800 -8.353 1.00 0.00 N ATOM 779 CA ASN A 48 -2.984 -0.578 -8.084 1.00 0.00 C ATOM 780 C ASN A 48 -4.460 -0.919 -7.868 1.00 0.00 C ATOM 781 O ASN A 48 -5.132 -1.390 -8.784 1.00 0.00 O ATOM 782 CB ASN A 48 -2.890 0.393 -9.262 1.00 0.00 C ATOM 783 CG ASN A 48 -3.258 -0.301 -10.576 1.00 0.00 C ATOM 784 OD1 ASN A 48 -4.418 -0.504 -10.897 1.00 0.00 O ATOM 785 ND2 ASN A 48 -2.210 -0.652 -11.314 1.00 0.00 N ATOM 0 H ASN A 48 -2.316 -2.141 -9.312 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.555 -0.111 -7.197 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.556 1.239 -9.094 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.878 0.793 -9.329 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.350 -1.121 -12.209 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.265 -0.452 -10.986 1.00 0.00 H new ATOM 792 N ARG A 49 -4.920 -0.667 -6.652 1.00 0.00 N ATOM 793 CA ARG A 49 -6.304 -0.941 -6.304 1.00 0.00 C ATOM 794 C ARG A 49 -6.621 -0.390 -4.912 1.00 0.00 C ATOM 795 O ARG A 49 -5.714 -0.055 -4.152 1.00 0.00 O ATOM 796 CB ARG A 49 -6.591 -2.444 -6.327 1.00 0.00 C ATOM 797 CG ARG A 49 -7.484 -2.814 -7.513 1.00 0.00 C ATOM 798 CD ARG A 49 -6.931 -4.032 -8.256 1.00 0.00 C ATOM 799 NE ARG A 49 -7.479 -5.275 -7.669 1.00 0.00 N ATOM 800 CZ ARG A 49 -7.345 -6.489 -8.220 1.00 0.00 C ATOM 801 NH1 ARG A 49 -6.682 -6.630 -9.376 1.00 0.00 N ATOM 802 NH2 ARG A 49 -7.875 -7.561 -7.616 1.00 0.00 N ATOM 0 H ARG A 49 -4.359 -0.276 -5.895 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.935 -0.451 -7.045 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.653 -2.996 -6.387 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.075 -2.740 -5.396 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.494 -3.026 -7.161 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.556 -1.968 -8.197 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.192 -3.973 -9.313 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.843 -4.041 -8.197 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.991 -5.203 -6.790 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.280 -5.813 -9.836 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.580 -7.554 -9.796 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.381 -7.453 -6.737 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.773 -8.485 -8.035 1.00 0.00 H new ATOM 816 N PHE A 50 -7.911 -0.312 -4.621 1.00 0.00 N ATOM 817 CA PHE A 50 -8.359 0.193 -3.334 1.00 0.00 C ATOM 818 C PHE A 50 -8.352 -0.914 -2.278 1.00 0.00 C ATOM 819 O PHE A 50 -8.788 -2.033 -2.543 1.00 0.00 O ATOM 820 CB PHE A 50 -9.793 0.691 -3.524 1.00 0.00 C ATOM 821 CG PHE A 50 -10.164 1.876 -2.630 1.00 0.00 C ATOM 822 CD1 PHE A 50 -9.293 2.910 -2.475 1.00 0.00 C ATOM 823 CD2 PHE A 50 -11.363 1.896 -1.989 1.00 0.00 C ATOM 824 CE1 PHE A 50 -9.637 4.009 -1.645 1.00 0.00 C ATOM 825 CE2 PHE A 50 -11.707 2.995 -1.159 1.00 0.00 C ATOM 826 CZ PHE A 50 -10.836 4.029 -1.004 1.00 0.00 C ATOM 0 H PHE A 50 -8.661 -0.590 -5.254 1.00 0.00 H new ATOM 0 HA PHE A 50 -7.694 0.987 -2.994 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.932 0.978 -4.566 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.481 -0.130 -3.325 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.340 2.894 -2.983 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.054 1.075 -2.111 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -8.946 4.830 -1.523 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -12.660 3.011 -0.651 1.00 0.00 H new ATOM 0 HZ PHE A 50 -11.097 4.865 -0.372 1.00 0.00 H new ATOM 836 N PRO A 51 -7.838 -0.554 -1.072 1.00 0.00 N ATOM 837 CA PRO A 51 -7.768 -1.504 0.026 1.00 0.00 C ATOM 838 C PRO A 51 -9.150 -1.731 0.643 1.00 0.00 C ATOM 839 O PRO A 51 -9.406 -1.312 1.771 1.00 0.00 O ATOM 840 CB PRO A 51 -6.772 -0.902 1.004 1.00 0.00 C ATOM 841 CG PRO A 51 -6.673 0.572 0.645 1.00 0.00 C ATOM 842 CD PRO A 51 -7.312 0.762 -0.722 1.00 0.00 C ATOM 0 HA PRO A 51 -7.443 -2.494 -0.294 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -7.108 -1.032 2.033 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.801 -1.390 0.922 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.181 1.182 1.392 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.631 0.892 0.627 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.105 1.509 -0.688 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.583 1.105 -1.456 1.00 0.00 H new ATOM 850 N THR A 52 -10.003 -2.393 -0.123 1.00 0.00 N ATOM 851 CA THR A 52 -11.352 -2.681 0.334 1.00 0.00 C ATOM 852 C THR A 52 -11.314 -3.439 1.663 1.00 0.00 C ATOM 853 O THR A 52 -10.496 -4.339 1.845 1.00 0.00 O ATOM 854 CB THR A 52 -12.077 -3.441 -0.779 1.00 0.00 C ATOM 855 OG1 THR A 52 -11.082 -4.312 -1.309 1.00 0.00 O ATOM 856 CG2 THR A 52 -12.449 -2.539 -1.957 1.00 0.00 C ATOM 0 H THR A 52 -9.787 -2.739 -1.058 1.00 0.00 H new ATOM 0 HA THR A 52 -11.906 -1.764 0.534 1.00 0.00 H new ATOM 0 HB THR A 52 -12.979 -3.902 -0.376 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.467 -4.845 -2.036 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.961 -3.128 -2.718 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.107 -1.742 -1.611 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.544 -2.104 -2.382 1.00 0.00 H new ATOM 864 N TRP A 53 -12.210 -3.047 2.557 1.00 0.00 N ATOM 865 CA TRP A 53 -12.289 -3.678 3.863 1.00 0.00 C ATOM 866 C TRP A 53 -12.403 -5.189 3.652 1.00 0.00 C ATOM 867 O TRP A 53 -11.998 -5.972 4.510 1.00 0.00 O ATOM 868 CB TRP A 53 -13.445 -3.100 4.682 1.00 0.00 C ATOM 869 CG TRP A 53 -14.670 -2.719 3.847 1.00 0.00 C ATOM 870 CD1 TRP A 53 -15.737 -3.474 3.556 1.00 0.00 C ATOM 871 CD2 TRP A 53 -14.910 -1.449 3.204 1.00 0.00 C ATOM 872 NE1 TRP A 53 -16.645 -2.787 2.775 1.00 0.00 N ATOM 873 CE2 TRP A 53 -16.126 -1.517 2.555 1.00 0.00 C ATOM 874 CE3 TRP A 53 -14.126 -0.282 3.173 1.00 0.00 C ATOM 875 CZ2 TRP A 53 -16.666 -0.450 1.826 1.00 0.00 C ATOM 876 CZ3 TRP A 53 -14.680 0.775 2.441 1.00 0.00 C ATOM 877 CH2 TRP A 53 -15.903 0.723 1.781 1.00 0.00 C ATOM 0 H TRP A 53 -12.887 -2.300 2.402 1.00 0.00 H new ATOM 0 HA TRP A 53 -11.390 -3.475 4.445 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -13.744 -3.829 5.435 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -13.093 -2.217 5.216 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -15.871 -4.492 3.890 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -17.533 -3.146 2.424 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -13.172 -0.207 3.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -17.620 -0.528 1.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -14.118 1.696 2.385 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -16.263 1.583 1.236 1.00 0.00 H new ATOM 888 N ASP A 54 -12.957 -5.554 2.505 1.00 0.00 N ATOM 889 CA ASP A 54 -13.129 -6.958 2.170 1.00 0.00 C ATOM 890 C ASP A 54 -11.801 -7.692 2.370 1.00 0.00 C ATOM 891 O ASP A 54 -11.726 -8.648 3.140 1.00 0.00 O ATOM 892 CB ASP A 54 -13.548 -7.128 0.708 1.00 0.00 C ATOM 893 CG ASP A 54 -14.969 -6.662 0.385 1.00 0.00 C ATOM 894 OD1 ASP A 54 -15.463 -5.788 1.130 1.00 0.00 O ATOM 895 OD2 ASP A 54 -15.528 -7.189 -0.601 1.00 0.00 O ATOM 0 H ASP A 54 -13.293 -4.902 1.796 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.905 -7.367 2.817 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -12.849 -6.577 0.079 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.457 -8.180 0.439 1.00 0.00 H new ATOM 900 N GLN A 55 -10.787 -7.217 1.663 1.00 0.00 N ATOM 901 CA GLN A 55 -9.466 -7.816 1.753 1.00 0.00 C ATOM 902 C GLN A 55 -8.689 -7.215 2.926 1.00 0.00 C ATOM 903 O GLN A 55 -8.147 -7.945 3.754 1.00 0.00 O ATOM 904 CB GLN A 55 -8.696 -7.646 0.441 1.00 0.00 C ATOM 905 CG GLN A 55 -8.789 -8.910 -0.417 1.00 0.00 C ATOM 906 CD GLN A 55 -8.824 -8.560 -1.906 1.00 0.00 C ATOM 907 OE1 GLN A 55 -9.657 -7.800 -2.372 1.00 0.00 O ATOM 908 NE2 GLN A 55 -7.876 -9.155 -2.624 1.00 0.00 N ATOM 0 H GLN A 55 -10.853 -6.424 1.025 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.585 -8.885 1.931 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.096 -6.796 -0.112 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.651 -7.423 0.655 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -7.936 -9.557 -0.212 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.685 -9.470 -0.150 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.210 -9.780 -2.171 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.815 -8.986 -3.628 1.00 0.00 H new ATOM 917 N LEU A 56 -8.661 -5.891 2.959 1.00 0.00 N ATOM 918 CA LEU A 56 -7.960 -5.184 4.018 1.00 0.00 C ATOM 919 C LEU A 56 -8.415 -5.725 5.375 1.00 0.00 C ATOM 920 O LEU A 56 -7.678 -5.647 6.357 1.00 0.00 O ATOM 921 CB LEU A 56 -8.143 -3.673 3.865 1.00 0.00 C ATOM 922 CG LEU A 56 -8.150 -2.863 5.163 1.00 0.00 C ATOM 923 CD1 LEU A 56 -7.559 -1.469 4.943 1.00 0.00 C ATOM 924 CD2 LEU A 56 -9.556 -2.802 5.764 1.00 0.00 C ATOM 0 H LEU A 56 -9.112 -5.289 2.270 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.887 -5.360 3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.345 -3.293 3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.082 -3.492 3.342 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.513 -3.372 5.886 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.576 -0.914 5.881 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.530 -1.561 4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.149 -0.937 4.197 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.533 -2.221 6.686 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.235 -2.330 5.054 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.903 -3.812 5.981 1.00 0.00 H new ATOM 936 N GLN A 57 -9.627 -6.260 5.386 1.00 0.00 N ATOM 937 CA GLN A 57 -10.189 -6.814 6.607 1.00 0.00 C ATOM 938 C GLN A 57 -9.122 -7.597 7.375 1.00 0.00 C ATOM 939 O GLN A 57 -9.189 -7.709 8.598 1.00 0.00 O ATOM 940 CB GLN A 57 -11.402 -7.694 6.302 1.00 0.00 C ATOM 941 CG GLN A 57 -12.695 -7.032 6.781 1.00 0.00 C ATOM 942 CD GLN A 57 -13.248 -7.741 8.019 1.00 0.00 C ATOM 943 OE1 GLN A 57 -12.634 -8.634 8.581 1.00 0.00 O ATOM 944 NE2 GLN A 57 -14.438 -7.295 8.412 1.00 0.00 N ATOM 0 H GLN A 57 -10.235 -6.322 4.570 1.00 0.00 H new ATOM 0 HA GLN A 57 -10.528 -5.990 7.234 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.460 -7.880 5.230 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.284 -8.663 6.787 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.507 -5.983 7.012 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -13.437 -7.055 5.983 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -14.897 -6.544 7.896 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -14.891 -7.704 9.229 1.00 0.00 H new ATOM 953 N TYR A 58 -8.163 -8.120 6.625 1.00 0.00 N ATOM 954 CA TYR A 58 -7.083 -8.889 7.220 1.00 0.00 C ATOM 955 C TYR A 58 -6.100 -7.977 7.956 1.00 0.00 C ATOM 956 O TYR A 58 -5.774 -8.218 9.117 1.00 0.00 O ATOM 957 CB TYR A 58 -6.358 -9.567 6.056 1.00 0.00 C ATOM 958 CG TYR A 58 -7.217 -10.574 5.288 1.00 0.00 C ATOM 959 CD1 TYR A 58 -7.882 -11.574 5.969 1.00 0.00 C ATOM 960 CD2 TYR A 58 -7.327 -10.483 3.916 1.00 0.00 C ATOM 961 CE1 TYR A 58 -8.691 -12.522 5.247 1.00 0.00 C ATOM 962 CE2 TYR A 58 -8.136 -11.431 3.194 1.00 0.00 C ATOM 963 CZ TYR A 58 -8.778 -12.403 3.895 1.00 0.00 C ATOM 964 OH TYR A 58 -9.542 -13.298 3.213 1.00 0.00 O ATOM 0 H TYR A 58 -8.111 -8.026 5.611 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.475 -9.605 7.943 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.008 -8.801 5.364 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.474 -10.077 6.440 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.796 -11.645 7.043 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.807 -9.701 3.383 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.216 -13.309 5.767 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.231 -11.371 2.120 1.00 0.00 H new ATOM 0 HH TYR A 58 -9.512 -13.091 2.256 1.00 0.00 H new ATOM 974 N MET A 59 -5.655 -6.948 7.250 1.00 0.00 N ATOM 975 CA MET A 59 -4.716 -5.998 7.822 1.00 0.00 C ATOM 976 C MET A 59 -5.416 -5.061 8.808 1.00 0.00 C ATOM 977 O MET A 59 -4.840 -4.685 9.827 1.00 0.00 O ATOM 978 CB MET A 59 -4.076 -5.176 6.702 1.00 0.00 C ATOM 979 CG MET A 59 -3.624 -6.076 5.550 1.00 0.00 C ATOM 980 SD MET A 59 -2.433 -7.268 6.138 1.00 0.00 S ATOM 981 CE MET A 59 -1.301 -7.281 4.757 1.00 0.00 C ATOM 0 H MET A 59 -5.927 -6.751 6.287 1.00 0.00 H new ATOM 0 HA MET A 59 -3.949 -6.554 8.361 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.790 -4.439 6.334 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.222 -4.624 7.094 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.484 -6.590 5.120 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.185 -5.472 4.756 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.056 -8.311 4.497 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.766 -6.792 3.901 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.390 -6.748 5.029 1.00 0.00 H new ATOM 991 N ARG A 60 -6.648 -4.711 8.469 1.00 0.00 N ATOM 992 CA ARG A 60 -7.433 -3.825 9.312 1.00 0.00 C ATOM 993 C ARG A 60 -7.523 -4.386 10.733 1.00 0.00 C ATOM 994 O ARG A 60 -7.761 -3.642 11.683 1.00 0.00 O ATOM 995 CB ARG A 60 -8.845 -3.641 8.753 1.00 0.00 C ATOM 996 CG ARG A 60 -9.879 -4.350 9.630 1.00 0.00 C ATOM 997 CD ARG A 60 -11.259 -4.339 8.969 1.00 0.00 C ATOM 998 NE ARG A 60 -12.104 -3.290 9.582 1.00 0.00 N ATOM 999 CZ ARG A 60 -12.746 -3.430 10.750 1.00 0.00 C ATOM 1000 NH1 ARG A 60 -12.642 -4.575 11.439 1.00 0.00 N ATOM 1001 NH2 ARG A 60 -13.492 -2.425 11.229 1.00 0.00 N ATOM 0 H ARG A 60 -7.122 -5.025 7.622 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.933 -2.856 9.331 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.081 -2.578 8.694 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.892 -4.035 7.738 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.566 -5.379 9.808 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.934 -3.860 10.602 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.158 -4.157 7.899 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.734 -5.313 9.083 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.204 -2.405 9.084 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.074 -5.340 11.074 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.131 -4.681 12.328 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.571 -1.554 10.705 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.981 -2.531 12.118 1.00 0.00 H new ATOM 1015 N THR A 61 -7.328 -5.692 10.832 1.00 0.00 N ATOM 1016 CA THR A 61 -7.385 -6.361 12.121 1.00 0.00 C ATOM 1017 C THR A 61 -6.017 -6.319 12.804 1.00 0.00 C ATOM 1018 O THR A 61 -5.924 -6.039 13.998 1.00 0.00 O ATOM 1019 CB THR A 61 -7.907 -7.782 11.894 1.00 0.00 C ATOM 1020 OG1 THR A 61 -7.689 -8.014 10.505 1.00 0.00 O ATOM 1021 CG2 THR A 61 -9.425 -7.880 12.054 1.00 0.00 C ATOM 0 H THR A 61 -7.130 -6.305 10.041 1.00 0.00 H new ATOM 0 HA THR A 61 -8.069 -5.853 12.800 1.00 0.00 H new ATOM 0 HB THR A 61 -7.423 -8.463 12.595 1.00 0.00 H new ATOM 0 HG1 THR A 61 -6.730 -8.124 10.338 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.743 -8.908 11.883 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.705 -7.577 13.063 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.910 -7.225 11.331 1.00 0.00 H new ATOM 1029 N SER A 62 -4.989 -6.601 12.017 1.00 0.00 N ATOM 1030 CA SER A 62 -3.630 -6.599 12.531 1.00 0.00 C ATOM 1031 C SER A 62 -3.383 -5.331 13.351 1.00 0.00 C ATOM 1032 O SER A 62 -2.716 -5.375 14.384 1.00 0.00 O ATOM 1033 CB SER A 62 -2.611 -6.703 11.395 1.00 0.00 C ATOM 1034 OG SER A 62 -2.500 -5.485 10.664 1.00 0.00 O ATOM 0 H SER A 62 -5.070 -6.832 11.027 1.00 0.00 H new ATOM 0 HA SER A 62 -3.506 -7.470 13.174 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.637 -6.970 11.805 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.903 -7.506 10.719 1.00 0.00 H new ATOM 0 HG SER A 62 -3.394 -5.171 10.414 1.00 0.00 H new ATOM 1040 N CYS A 63 -3.934 -4.230 12.861 1.00 0.00 N ATOM 1041 CA CYS A 63 -3.782 -2.952 13.535 1.00 0.00 C ATOM 1042 C CYS A 63 -5.140 -2.248 13.542 1.00 0.00 C ATOM 1043 O CYS A 63 -5.983 -2.510 12.685 1.00 0.00 O ATOM 1044 CB CYS A 63 -2.697 -2.094 12.882 1.00 0.00 C ATOM 1045 SG CYS A 63 -1.162 -2.162 13.875 1.00 0.00 S ATOM 0 H CYS A 63 -4.487 -4.197 12.004 1.00 0.00 H new ATOM 0 HA CYS A 63 -3.454 -3.116 14.562 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.501 -2.449 11.870 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.040 -1.063 12.797 1.00 0.00 H new ATOM 0 HG CYS A 63 -0.247 -1.432 13.310 1.00 0.00 H new ATOM 1051 N PRO A 64 -5.314 -1.345 14.543 1.00 0.00 N ATOM 1052 CA PRO A 64 -6.556 -0.601 14.673 1.00 0.00 C ATOM 1053 C PRO A 64 -6.647 0.502 13.616 1.00 0.00 C ATOM 1054 O PRO A 64 -7.737 0.831 13.150 1.00 0.00 O ATOM 1055 CB PRO A 64 -6.545 -0.062 16.094 1.00 0.00 C ATOM 1056 CG PRO A 64 -5.098 -0.129 16.554 1.00 0.00 C ATOM 1057 CD PRO A 64 -4.338 -1.009 15.575 1.00 0.00 C ATOM 0 HA PRO A 64 -7.437 -1.220 14.503 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.918 0.962 16.126 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.189 -0.657 16.742 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.662 0.869 16.588 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.037 -0.538 17.562 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.481 -0.484 15.153 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.954 -1.905 16.063 1.00 0.00 H new ATOM 1065 N GLN A 65 -5.488 1.042 13.269 1.00 0.00 N ATOM 1066 CA GLN A 65 -5.423 2.100 12.275 1.00 0.00 C ATOM 1067 C GLN A 65 -5.121 1.515 10.894 1.00 0.00 C ATOM 1068 O GLN A 65 -4.811 2.251 9.959 1.00 0.00 O ATOM 1069 CB GLN A 65 -4.384 3.154 12.664 1.00 0.00 C ATOM 1070 CG GLN A 65 -4.736 3.804 14.003 1.00 0.00 C ATOM 1071 CD GLN A 65 -3.592 3.647 15.007 1.00 0.00 C ATOM 1072 OE1 GLN A 65 -3.205 2.551 15.379 1.00 0.00 O ATOM 1073 NE2 GLN A 65 -3.075 4.799 15.423 1.00 0.00 N ATOM 0 H GLN A 65 -4.586 0.767 13.658 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.394 2.593 12.233 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.399 2.692 12.728 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.328 3.918 11.889 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.950 4.862 13.852 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.642 3.350 14.405 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.447 5.681 15.071 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.307 4.800 16.094 1.00 0.00 H new ATOM 1082 N GLY A 66 -5.223 0.197 10.811 1.00 0.00 N ATOM 1083 CA GLY A 66 -4.965 -0.496 9.560 1.00 0.00 C ATOM 1084 C GLY A 66 -5.832 0.067 8.432 1.00 0.00 C ATOM 1085 O GLY A 66 -5.325 0.407 7.365 1.00 0.00 O ATOM 0 H GLY A 66 -5.481 -0.410 11.589 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.912 -0.399 9.297 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.166 -1.560 9.682 1.00 0.00 H new ATOM 1089 N PRO A 67 -7.160 0.149 8.715 1.00 0.00 N ATOM 1090 CA PRO A 67 -8.103 0.665 7.737 1.00 0.00 C ATOM 1091 C PRO A 67 -7.997 2.187 7.623 1.00 0.00 C ATOM 1092 O PRO A 67 -7.767 2.718 6.538 1.00 0.00 O ATOM 1093 CB PRO A 67 -9.466 0.199 8.221 1.00 0.00 C ATOM 1094 CG PRO A 67 -9.288 -0.159 9.688 1.00 0.00 C ATOM 1095 CD PRO A 67 -7.797 -0.245 9.968 1.00 0.00 C ATOM 0 HA PRO A 67 -7.907 0.299 6.729 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.213 0.983 8.098 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.811 -0.662 7.648 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.753 0.594 10.324 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.774 -1.109 9.911 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -7.509 0.418 10.784 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.507 -1.254 10.259 1.00 0.00 H new ATOM 1103 N VAL A 68 -8.171 2.847 8.759 1.00 0.00 N ATOM 1104 CA VAL A 68 -8.098 4.298 8.801 1.00 0.00 C ATOM 1105 C VAL A 68 -6.835 4.762 8.071 1.00 0.00 C ATOM 1106 O VAL A 68 -6.807 5.854 7.506 1.00 0.00 O ATOM 1107 CB VAL A 68 -8.163 4.784 10.250 1.00 0.00 C ATOM 1108 CG1 VAL A 68 -9.284 4.077 11.015 1.00 0.00 C ATOM 1109 CG2 VAL A 68 -6.817 4.596 10.953 1.00 0.00 C ATOM 0 H VAL A 68 -8.362 2.404 9.657 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.952 4.738 8.286 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.387 5.851 10.236 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.309 4.440 12.042 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -10.240 4.284 10.534 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.103 3.002 11.015 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.891 4.950 11.981 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.550 3.539 10.951 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.050 5.165 10.428 1.00 0.00 H new ATOM 1119 N SER A 69 -5.822 3.909 8.108 1.00 0.00 N ATOM 1120 CA SER A 69 -4.560 4.217 7.457 1.00 0.00 C ATOM 1121 C SER A 69 -4.776 4.391 5.952 1.00 0.00 C ATOM 1122 O SER A 69 -4.085 5.179 5.309 1.00 0.00 O ATOM 1123 CB SER A 69 -3.522 3.125 7.722 1.00 0.00 C ATOM 1124 OG SER A 69 -2.875 3.298 8.979 1.00 0.00 O ATOM 0 H SER A 69 -5.849 3.005 8.579 1.00 0.00 H new ATOM 0 HA SER A 69 -4.180 5.150 7.873 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.007 2.149 7.695 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.777 3.132 6.927 1.00 0.00 H new ATOM 0 HG SER A 69 -2.020 3.758 8.846 1.00 0.00 H new ATOM 1130 N LEU A 70 -5.738 3.642 5.434 1.00 0.00 N ATOM 1131 CA LEU A 70 -6.054 3.703 4.017 1.00 0.00 C ATOM 1132 C LEU A 70 -6.860 4.972 3.733 1.00 0.00 C ATOM 1133 O LEU A 70 -6.405 5.850 3.001 1.00 0.00 O ATOM 1134 CB LEU A 70 -6.751 2.418 3.568 1.00 0.00 C ATOM 1135 CG LEU A 70 -5.881 1.159 3.532 1.00 0.00 C ATOM 1136 CD1 LEU A 70 -4.570 1.420 2.790 1.00 0.00 C ATOM 1137 CD2 LEU A 70 -5.644 0.617 4.943 1.00 0.00 C ATOM 0 H LEU A 70 -6.309 2.989 5.970 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.141 3.766 3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.594 2.234 4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.162 2.580 2.571 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.416 0.389 2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.971 0.510 2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.786 1.725 1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.017 2.212 3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.023 -0.277 4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.139 1.374 5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.601 0.368 5.403 1.00 0.00 H new ATOM 1149 N GLN A 71 -8.043 5.028 4.326 1.00 0.00 N ATOM 1150 CA GLN A 71 -8.917 6.175 4.146 1.00 0.00 C ATOM 1151 C GLN A 71 -8.176 7.467 4.496 1.00 0.00 C ATOM 1152 O GLN A 71 -8.271 8.457 3.773 1.00 0.00 O ATOM 1153 CB GLN A 71 -10.191 6.031 4.981 1.00 0.00 C ATOM 1154 CG GLN A 71 -9.859 5.674 6.431 1.00 0.00 C ATOM 1155 CD GLN A 71 -11.095 5.146 7.162 1.00 0.00 C ATOM 1156 OE1 GLN A 71 -11.468 5.617 8.224 1.00 0.00 O ATOM 1157 NE2 GLN A 71 -11.706 4.144 6.537 1.00 0.00 N ATOM 0 H GLN A 71 -8.417 4.298 4.932 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.212 6.220 3.098 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.756 6.963 4.952 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.828 5.259 4.549 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.070 4.922 6.453 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.475 6.554 6.947 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.341 3.798 5.650 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.540 3.722 6.945 1.00 0.00 H new ATOM 1166 N ARG A 72 -7.453 7.415 5.606 1.00 0.00 N ATOM 1167 CA ARG A 72 -6.696 8.569 6.061 1.00 0.00 C ATOM 1168 C ARG A 72 -5.521 8.838 5.119 1.00 0.00 C ATOM 1169 O ARG A 72 -4.976 9.940 5.099 1.00 0.00 O ATOM 1170 CB ARG A 72 -6.165 8.355 7.479 1.00 0.00 C ATOM 1171 CG ARG A 72 -7.301 8.009 8.444 1.00 0.00 C ATOM 1172 CD ARG A 72 -7.835 9.264 9.137 1.00 0.00 C ATOM 1173 NE ARG A 72 -7.576 9.188 10.592 1.00 0.00 N ATOM 1174 CZ ARG A 72 -6.467 9.654 11.183 1.00 0.00 C ATOM 1175 NH1 ARG A 72 -5.508 10.232 10.447 1.00 0.00 N ATOM 1176 NH2 ARG A 72 -6.317 9.541 12.510 1.00 0.00 N ATOM 0 H ARG A 72 -7.376 6.592 6.203 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.368 9.427 6.063 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.427 7.553 7.478 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.655 9.256 7.820 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.108 7.519 7.900 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.944 7.301 9.192 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.357 10.151 8.720 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.905 9.363 8.954 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.286 8.754 11.182 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.622 10.317 9.437 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.664 10.587 10.897 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.047 9.100 13.070 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.473 9.896 12.960 1.00 0.00 H new ATOM 1190 N GLN A 73 -5.165 7.811 4.360 1.00 0.00 N ATOM 1191 CA GLN A 73 -4.064 7.923 3.419 1.00 0.00 C ATOM 1192 C GLN A 73 -4.433 8.878 2.282 1.00 0.00 C ATOM 1193 O GLN A 73 -3.597 9.653 1.821 1.00 0.00 O ATOM 1194 CB GLN A 73 -3.668 6.549 2.874 1.00 0.00 C ATOM 1195 CG GLN A 73 -2.220 6.213 3.236 1.00 0.00 C ATOM 1196 CD GLN A 73 -1.438 5.754 2.004 1.00 0.00 C ATOM 1197 OE1 GLN A 73 -1.977 5.586 0.922 1.00 0.00 O ATOM 1198 NE2 GLN A 73 -0.142 5.560 2.226 1.00 0.00 N ATOM 0 H GLN A 73 -5.620 6.898 4.378 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.201 8.332 3.945 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.334 5.787 3.279 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.789 6.535 1.791 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.738 7.088 3.671 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.203 5.430 3.994 1.00 0.00 H new ATOM 0 HE21 GLN A 73 0.246 5.719 3.156 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.465 5.252 1.466 1.00 0.00 H new ATOM 1207 N ILE A 74 -5.687 8.791 1.862 1.00 0.00 N ATOM 1208 CA ILE A 74 -6.177 9.638 0.788 1.00 0.00 C ATOM 1209 C ILE A 74 -6.516 11.020 1.348 1.00 0.00 C ATOM 1210 O ILE A 74 -7.035 11.134 2.457 1.00 0.00 O ATOM 1211 CB ILE A 74 -7.345 8.964 0.064 1.00 0.00 C ATOM 1212 CG1 ILE A 74 -7.019 8.742 -1.414 1.00 0.00 C ATOM 1213 CG2 ILE A 74 -8.638 9.759 0.253 1.00 0.00 C ATOM 1214 CD1 ILE A 74 -8.149 7.987 -2.117 1.00 0.00 C ATOM 0 H ILE A 74 -6.378 8.147 2.246 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.404 9.781 0.033 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.503 7.982 0.509 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.859 9.703 -1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.090 8.180 -1.505 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.452 9.259 -0.271 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -8.875 9.822 1.315 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.510 10.764 -0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.892 7.842 -3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.290 7.017 -1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -9.071 8.563 -2.045 1.00 0.00 H new ATOM 1226 N PRO A 75 -6.200 12.064 0.535 1.00 0.00 N ATOM 1227 CA PRO A 75 -6.466 13.434 0.938 1.00 0.00 C ATOM 1228 C PRO A 75 -7.958 13.758 0.832 1.00 0.00 C ATOM 1229 O PRO A 75 -8.371 14.517 -0.043 1.00 0.00 O ATOM 1230 CB PRO A 75 -5.606 14.288 0.021 1.00 0.00 C ATOM 1231 CG PRO A 75 -5.250 13.401 -1.161 1.00 0.00 C ATOM 1232 CD PRO A 75 -5.584 11.967 -0.785 1.00 0.00 C ATOM 0 HA PRO A 75 -6.218 13.620 1.983 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -6.146 15.176 -0.306 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.709 14.632 0.535 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -5.809 13.703 -2.047 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.192 13.495 -1.404 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.265 11.516 -1.507 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.689 11.345 -0.760 1.00 0.00 H new ATOM 1240 N LYS A 76 -8.725 13.165 1.735 1.00 0.00 N ATOM 1241 CA LYS A 76 -10.162 13.381 1.754 1.00 0.00 C ATOM 1242 C LYS A 76 -10.831 12.262 2.555 1.00 0.00 C ATOM 1243 O LYS A 76 -11.887 11.764 2.169 1.00 0.00 O ATOM 1244 CB LYS A 76 -10.701 13.525 0.329 1.00 0.00 C ATOM 1245 CG LYS A 76 -11.052 14.981 0.020 1.00 0.00 C ATOM 1246 CD LYS A 76 -12.115 15.506 0.986 1.00 0.00 C ATOM 1247 CE LYS A 76 -13.273 16.157 0.226 1.00 0.00 C ATOM 1248 NZ LYS A 76 -14.374 16.499 1.154 1.00 0.00 N ATOM 0 H LYS A 76 -8.379 12.535 2.459 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.400 14.319 2.256 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.957 13.168 -0.383 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.586 12.900 0.206 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.156 15.597 0.090 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.415 15.062 -1.005 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.492 14.687 1.598 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.668 16.232 1.665 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.923 17.057 -0.280 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.637 15.478 -0.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.934 17.279 0.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -14.985 15.668 1.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.978 16.790 2.070 1.00 0.00 H new ATOM 1262 N LEU A 77 -10.187 11.899 3.655 1.00 0.00 N ATOM 1263 CA LEU A 77 -10.707 10.848 4.513 1.00 0.00 C ATOM 1264 C LEU A 77 -12.158 11.165 4.878 1.00 0.00 C ATOM 1265 O LEU A 77 -13.063 10.391 4.568 1.00 0.00 O ATOM 1266 CB LEU A 77 -9.797 10.649 5.727 1.00 0.00 C ATOM 1267 CG LEU A 77 -8.791 11.769 6.003 1.00 0.00 C ATOM 1268 CD1 LEU A 77 -8.495 11.883 7.499 1.00 0.00 C ATOM 1269 CD2 LEU A 77 -7.516 11.576 5.179 1.00 0.00 C ATOM 0 H LEU A 77 -9.311 12.314 3.971 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.712 9.894 3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.424 10.526 6.610 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.246 9.718 5.594 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.236 12.713 5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.778 12.686 7.668 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.418 12.102 8.037 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.079 10.943 7.860 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.818 12.385 5.394 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.056 10.622 5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.764 11.583 4.118 1.00 0.00 H new ATOM 1281 N ASP A 78 -12.336 12.303 5.532 1.00 0.00 N ATOM 1282 CA ASP A 78 -13.662 12.732 5.943 1.00 0.00 C ATOM 1283 C ASP A 78 -14.674 12.352 4.860 1.00 0.00 C ATOM 1284 O ASP A 78 -15.845 12.118 5.155 1.00 0.00 O ATOM 1285 CB ASP A 78 -13.717 14.249 6.131 1.00 0.00 C ATOM 1286 CG ASP A 78 -15.003 14.775 6.772 1.00 0.00 C ATOM 1287 OD1 ASP A 78 -16.065 14.607 6.134 1.00 0.00 O ATOM 1288 OD2 ASP A 78 -14.895 15.333 7.885 1.00 0.00 O ATOM 0 H ASP A 78 -11.583 12.942 5.788 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.897 12.244 6.889 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.871 14.555 6.746 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.592 14.725 5.159 1.00 0.00 H new ATOM 1293 N SER A 79 -14.185 12.304 3.630 1.00 0.00 N ATOM 1294 CA SER A 79 -15.033 11.957 2.501 1.00 0.00 C ATOM 1295 C SER A 79 -15.050 10.440 2.307 1.00 0.00 C ATOM 1296 O SER A 79 -16.110 9.817 2.349 1.00 0.00 O ATOM 1297 CB SER A 79 -14.558 12.650 1.223 1.00 0.00 C ATOM 1298 OG SER A 79 -15.372 13.772 0.890 1.00 0.00 O ATOM 0 H SER A 79 -13.213 12.499 3.390 1.00 0.00 H new ATOM 0 HA SER A 79 -16.045 12.301 2.714 1.00 0.00 H new ATOM 0 HB2 SER A 79 -13.526 12.976 1.350 1.00 0.00 H new ATOM 0 HB3 SER A 79 -14.568 11.937 0.399 1.00 0.00 H new ATOM 0 HG SER A 79 -15.899 14.038 1.672 1.00 0.00 H new ATOM 1304 N VAL A 80 -13.864 9.888 2.099 1.00 0.00 N ATOM 1305 CA VAL A 80 -13.729 8.455 1.898 1.00 0.00 C ATOM 1306 C VAL A 80 -13.809 7.745 3.251 1.00 0.00 C ATOM 1307 O VAL A 80 -14.522 6.753 3.395 1.00 0.00 O ATOM 1308 CB VAL A 80 -12.436 8.152 1.139 1.00 0.00 C ATOM 1309 CG1 VAL A 80 -11.215 8.654 1.913 1.00 0.00 C ATOM 1310 CG2 VAL A 80 -12.316 6.657 0.836 1.00 0.00 C ATOM 0 H VAL A 80 -12.987 10.408 2.065 1.00 0.00 H new ATOM 0 HA VAL A 80 -14.546 8.077 1.284 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.473 8.685 0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.309 8.426 1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.292 9.732 2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -11.173 8.162 2.885 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -11.388 6.469 0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.313 6.096 1.770 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -13.162 6.340 0.226 1.00 0.00 H new ATOM 1320 N LEU A 81 -13.066 8.281 4.209 1.00 0.00 N ATOM 1321 CA LEU A 81 -13.044 7.711 5.546 1.00 0.00 C ATOM 1322 C LEU A 81 -14.479 7.530 6.042 1.00 0.00 C ATOM 1323 O LEU A 81 -14.715 6.839 7.033 1.00 0.00 O ATOM 1324 CB LEU A 81 -12.174 8.560 6.475 1.00 0.00 C ATOM 1325 CG LEU A 81 -12.861 9.094 7.734 1.00 0.00 C ATOM 1326 CD1 LEU A 81 -12.885 8.035 8.837 1.00 0.00 C ATOM 1327 CD2 LEU A 81 -12.209 10.397 8.203 1.00 0.00 C ATOM 0 H LEU A 81 -12.475 9.103 4.086 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.585 6.723 5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -11.313 7.964 6.779 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.790 9.408 5.907 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.897 9.323 7.487 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -13.379 8.441 9.720 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.430 7.158 8.488 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.864 7.751 9.091 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.716 10.755 9.099 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.158 10.217 8.428 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.289 11.147 7.416 1.00 0.00 H new ATOM 1339 N LYS A 82 -15.402 8.162 5.332 1.00 0.00 N ATOM 1340 CA LYS A 82 -16.808 8.079 5.688 1.00 0.00 C ATOM 1341 C LYS A 82 -17.544 7.232 4.647 1.00 0.00 C ATOM 1342 O LYS A 82 -17.390 6.012 4.612 1.00 0.00 O ATOM 1343 CB LYS A 82 -17.398 9.478 5.871 1.00 0.00 C ATOM 1344 CG LYS A 82 -17.309 9.924 7.332 1.00 0.00 C ATOM 1345 CD LYS A 82 -16.346 11.103 7.487 1.00 0.00 C ATOM 1346 CE LYS A 82 -16.009 11.346 8.960 1.00 0.00 C ATOM 1347 NZ LYS A 82 -16.330 12.739 9.342 1.00 0.00 N ATOM 0 H LYS A 82 -15.203 8.734 4.511 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.929 7.580 6.649 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -16.865 10.187 5.238 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -18.439 9.483 5.548 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -18.298 10.208 7.690 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -16.973 9.092 7.950 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -15.431 10.906 6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -16.793 12.001 7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.570 10.652 9.587 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.951 11.149 9.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -16.407 12.806 10.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.576 13.373 9.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.233 13.018 8.909 1.00 0.00 H new ATOM 1361 N TYR A 83 -18.329 7.913 3.826 1.00 0.00 N ATOM 1362 CA TYR A 83 -19.090 7.239 2.787 1.00 0.00 C ATOM 1363 C TYR A 83 -19.074 8.044 1.486 1.00 0.00 C ATOM 1364 O TYR A 83 -19.719 7.665 0.510 1.00 0.00 O ATOM 1365 CB TYR A 83 -20.528 7.155 3.304 1.00 0.00 C ATOM 1366 CG TYR A 83 -21.191 5.795 3.080 1.00 0.00 C ATOM 1367 CD1 TYR A 83 -21.385 5.325 1.798 1.00 0.00 C ATOM 1368 CD2 TYR A 83 -21.596 5.039 4.161 1.00 0.00 C ATOM 1369 CE1 TYR A 83 -22.010 4.044 1.587 1.00 0.00 C ATOM 1370 CE2 TYR A 83 -22.221 3.759 3.951 1.00 0.00 C ATOM 1371 CZ TYR A 83 -22.397 3.325 2.674 1.00 0.00 C ATOM 1372 OH TYR A 83 -22.987 2.115 2.475 1.00 0.00 O ATOM 0 H TYR A 83 -18.455 8.925 3.859 1.00 0.00 H new ATOM 0 HA TYR A 83 -18.664 6.258 2.575 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -20.533 7.379 4.371 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -21.125 7.924 2.814 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -21.068 5.917 0.952 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -21.444 5.407 5.165 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -22.167 3.664 0.588 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -22.543 3.157 4.788 1.00 0.00 H new ATOM 0 HH TYR A 83 -23.210 1.713 3.341 1.00 0.00 H new ATOM 1382 N LYS A 84 -18.331 9.141 1.515 1.00 0.00 N ATOM 1383 CA LYS A 84 -18.223 10.002 0.350 1.00 0.00 C ATOM 1384 C LYS A 84 -17.668 9.196 -0.826 1.00 0.00 C ATOM 1385 O LYS A 84 -17.985 8.017 -0.980 1.00 0.00 O ATOM 1386 CB LYS A 84 -17.403 11.251 0.681 1.00 0.00 C ATOM 1387 CG LYS A 84 -18.027 12.499 0.054 1.00 0.00 C ATOM 1388 CD LYS A 84 -17.096 13.107 -0.998 1.00 0.00 C ATOM 1389 CE LYS A 84 -17.647 12.889 -2.409 1.00 0.00 C ATOM 1390 NZ LYS A 84 -17.456 14.104 -3.233 1.00 0.00 N ATOM 0 H LYS A 84 -17.798 9.453 2.327 1.00 0.00 H new ATOM 0 HA LYS A 84 -19.207 10.364 0.052 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -17.342 11.375 1.762 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -16.383 11.128 0.317 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -18.982 12.241 -0.405 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -18.235 13.235 0.830 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -16.978 14.174 -0.811 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -16.106 12.657 -0.917 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -17.143 12.043 -2.876 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -18.707 12.640 -2.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -18.365 14.385 -3.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -17.097 14.876 -2.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -16.772 13.906 -3.991 1.00 0.00 H new ATOM 1404 N HIS A 85 -16.849 9.863 -1.625 1.00 0.00 N ATOM 1405 CA HIS A 85 -16.247 9.223 -2.782 1.00 0.00 C ATOM 1406 C HIS A 85 -15.931 7.763 -2.455 1.00 0.00 C ATOM 1407 O HIS A 85 -15.861 6.923 -3.351 1.00 0.00 O ATOM 1408 CB HIS A 85 -15.019 10.003 -3.257 1.00 0.00 C ATOM 1409 CG HIS A 85 -15.344 11.169 -4.161 1.00 0.00 C ATOM 1410 ND1 HIS A 85 -16.317 11.108 -5.143 1.00 0.00 N ATOM 1411 CD2 HIS A 85 -14.815 12.425 -4.220 1.00 0.00 C ATOM 1412 CE1 HIS A 85 -16.363 12.280 -5.759 1.00 0.00 C ATOM 1413 NE2 HIS A 85 -15.431 13.095 -5.186 1.00 0.00 N ATOM 0 H HIS A 85 -16.588 10.840 -1.494 1.00 0.00 H new ATOM 0 HA HIS A 85 -16.953 9.228 -3.613 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -14.476 10.372 -2.387 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.351 9.323 -3.785 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -14.028 12.809 -3.588 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -17.023 12.544 -6.572 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -15.239 14.060 -5.455 1.00 0.00 H new ATOM 1421 N THR A 86 -15.748 7.504 -1.168 1.00 0.00 N ATOM 1422 CA THR A 86 -15.441 6.160 -0.711 1.00 0.00 C ATOM 1423 C THR A 86 -16.366 5.144 -1.384 1.00 0.00 C ATOM 1424 O THR A 86 -16.003 3.979 -1.543 1.00 0.00 O ATOM 1425 CB THR A 86 -15.534 6.147 0.816 1.00 0.00 C ATOM 1426 OG1 THR A 86 -15.907 4.808 1.130 1.00 0.00 O ATOM 1427 CG2 THR A 86 -16.698 6.991 1.339 1.00 0.00 C ATOM 0 H THR A 86 -15.807 8.203 -0.428 1.00 0.00 H new ATOM 0 HA THR A 86 -14.429 5.868 -0.992 1.00 0.00 H new ATOM 0 HB THR A 86 -14.600 6.516 1.239 1.00 0.00 H new ATOM 0 HG1 THR A 86 -15.988 4.710 2.102 1.00 0.00 H new ATOM 0 HG21 THR A 86 -16.719 6.947 2.428 1.00 0.00 H new ATOM 0 HG22 THR A 86 -16.570 8.025 1.020 1.00 0.00 H new ATOM 0 HG23 THR A 86 -17.636 6.602 0.943 1.00 0.00 H new ATOM 1435 N ASP A 87 -17.543 5.621 -1.762 1.00 0.00 N ATOM 1436 CA ASP A 87 -18.522 4.769 -2.414 1.00 0.00 C ATOM 1437 C ASP A 87 -17.805 3.817 -3.373 1.00 0.00 C ATOM 1438 O ASP A 87 -16.620 3.533 -3.201 1.00 0.00 O ATOM 1439 CB ASP A 87 -19.518 5.598 -3.228 1.00 0.00 C ATOM 1440 CG ASP A 87 -20.991 5.292 -2.951 1.00 0.00 C ATOM 1441 OD1 ASP A 87 -21.248 4.598 -1.944 1.00 0.00 O ATOM 1442 OD2 ASP A 87 -21.829 5.761 -3.752 1.00 0.00 O ATOM 0 H ASP A 87 -17.841 6.588 -1.629 1.00 0.00 H new ATOM 0 HA ASP A 87 -19.058 4.218 -1.641 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.338 6.654 -3.028 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -19.322 5.436 -4.288 1.00 0.00 H new ATOM 1447 N PRO A 88 -18.573 3.337 -4.388 1.00 0.00 N ATOM 1448 CA PRO A 88 -18.023 2.422 -5.374 1.00 0.00 C ATOM 1449 C PRO A 88 -17.118 3.160 -6.362 1.00 0.00 C ATOM 1450 O PRO A 88 -16.849 2.663 -7.454 1.00 0.00 O ATOM 1451 CB PRO A 88 -19.233 1.786 -6.038 1.00 0.00 C ATOM 1452 CG PRO A 88 -20.407 2.701 -5.729 1.00 0.00 C ATOM 1453 CD PRO A 88 -19.979 3.651 -4.622 1.00 0.00 C ATOM 0 HA PRO A 88 -17.383 1.660 -4.930 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -19.084 1.692 -7.114 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -19.408 0.782 -5.651 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -20.701 3.259 -6.618 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -21.274 2.118 -5.418 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.108 4.691 -4.921 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.573 3.502 -3.721 1.00 0.00 H new ATOM 1461 N THR A 89 -16.672 4.336 -5.943 1.00 0.00 N ATOM 1462 CA THR A 89 -15.803 5.148 -6.777 1.00 0.00 C ATOM 1463 C THR A 89 -14.347 4.706 -6.618 1.00 0.00 C ATOM 1464 O THR A 89 -13.604 4.639 -7.597 1.00 0.00 O ATOM 1465 CB THR A 89 -16.035 6.616 -6.414 1.00 0.00 C ATOM 1466 OG1 THR A 89 -16.029 7.289 -7.670 1.00 0.00 O ATOM 1467 CG2 THR A 89 -14.853 7.226 -5.658 1.00 0.00 C ATOM 0 H THR A 89 -16.897 4.745 -5.036 1.00 0.00 H new ATOM 0 HA THR A 89 -16.036 5.019 -7.834 1.00 0.00 H new ATOM 0 HB THR A 89 -16.937 6.702 -5.807 1.00 0.00 H new ATOM 0 HG1 THR A 89 -15.108 7.367 -7.995 1.00 0.00 H new ATOM 0 HG21 THR A 89 -15.069 8.269 -5.425 1.00 0.00 H new ATOM 0 HG22 THR A 89 -14.689 6.674 -4.733 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.958 7.171 -6.277 1.00 0.00 H new ATOM 1475 N PHE A 90 -13.982 4.415 -5.378 1.00 0.00 N ATOM 1476 CA PHE A 90 -12.628 3.981 -5.079 1.00 0.00 C ATOM 1477 C PHE A 90 -12.582 2.476 -4.807 1.00 0.00 C ATOM 1478 O PHE A 90 -11.530 1.850 -4.935 1.00 0.00 O ATOM 1479 CB PHE A 90 -12.187 4.729 -3.820 1.00 0.00 C ATOM 1480 CG PHE A 90 -11.427 6.027 -4.101 1.00 0.00 C ATOM 1481 CD1 PHE A 90 -10.574 6.101 -5.157 1.00 0.00 C ATOM 1482 CD2 PHE A 90 -11.605 7.107 -3.294 1.00 0.00 C ATOM 1483 CE1 PHE A 90 -9.869 7.306 -5.418 1.00 0.00 C ATOM 1484 CE2 PHE A 90 -10.900 8.312 -3.555 1.00 0.00 C ATOM 1485 CZ PHE A 90 -10.047 8.386 -4.611 1.00 0.00 C ATOM 0 H PHE A 90 -14.600 4.471 -4.569 1.00 0.00 H new ATOM 0 HA PHE A 90 -11.974 4.190 -5.926 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -13.067 4.958 -3.219 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -11.555 4.072 -3.222 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -10.432 5.243 -5.798 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -12.282 7.048 -2.455 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.192 7.365 -6.257 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -11.042 9.170 -2.914 1.00 0.00 H new ATOM 0 HZ PHE A 90 -9.511 9.302 -4.809 1.00 0.00 H new ATOM 1495 N GLY A 91 -13.734 1.939 -4.436 1.00 0.00 N ATOM 1496 CA GLY A 91 -13.839 0.519 -4.144 1.00 0.00 C ATOM 1497 C GLY A 91 -13.157 -0.315 -5.230 1.00 0.00 C ATOM 1498 O GLY A 91 -12.391 0.213 -6.035 1.00 0.00 O ATOM 0 H GLY A 91 -14.604 2.461 -4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.382 0.308 -3.177 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -14.889 0.236 -4.069 1.00 0.00 H new ATOM 1502 N MET A 92 -13.459 -1.605 -5.218 1.00 0.00 N ATOM 1503 CA MET A 92 -12.884 -2.518 -6.191 1.00 0.00 C ATOM 1504 C MET A 92 -11.578 -1.961 -6.761 1.00 0.00 C ATOM 1505 O MET A 92 -10.499 -2.251 -6.247 1.00 0.00 O ATOM 1506 CB MET A 92 -13.881 -2.745 -7.329 1.00 0.00 C ATOM 1507 CG MET A 92 -14.679 -1.472 -7.622 1.00 0.00 C ATOM 1508 SD MET A 92 -15.929 -1.235 -6.370 1.00 0.00 S ATOM 1509 CE MET A 92 -16.072 0.544 -6.409 1.00 0.00 C ATOM 0 H MET A 92 -14.095 -2.040 -4.549 1.00 0.00 H new ATOM 0 HA MET A 92 -12.667 -3.462 -5.691 1.00 0.00 H new ATOM 0 HB2 MET A 92 -13.348 -3.059 -8.227 1.00 0.00 H new ATOM 0 HB3 MET A 92 -14.563 -3.553 -7.064 1.00 0.00 H new ATOM 0 HG2 MET A 92 -14.010 -0.611 -7.648 1.00 0.00 H new ATOM 0 HG3 MET A 92 -15.145 -1.543 -8.605 1.00 0.00 H new ATOM 0 HE1 MET A 92 -16.355 0.908 -5.421 1.00 0.00 H new ATOM 0 HE2 MET A 92 -15.115 0.980 -6.696 1.00 0.00 H new ATOM 0 HE3 MET A 92 -16.833 0.832 -7.134 1.00 0.00 H new ATOM 1519 N ASP A 93 -11.719 -1.171 -7.815 1.00 0.00 N ATOM 1520 CA ASP A 93 -10.563 -0.571 -8.460 1.00 0.00 C ATOM 1521 C ASP A 93 -10.523 0.924 -8.136 1.00 0.00 C ATOM 1522 O ASP A 93 -11.313 1.700 -8.672 1.00 0.00 O ATOM 1523 CB ASP A 93 -10.640 -0.723 -9.981 1.00 0.00 C ATOM 1524 CG ASP A 93 -10.557 -2.163 -10.491 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -11.634 -2.786 -10.610 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -9.418 -2.607 -10.752 1.00 0.00 O ATOM 0 H ASP A 93 -12.616 -0.932 -8.239 1.00 0.00 H new ATOM 0 HA ASP A 93 -9.671 -1.077 -8.092 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.575 -0.284 -10.328 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -9.831 -0.147 -10.430 1.00 0.00 H new ATOM 1531 N LEU A 94 -9.595 1.282 -7.261 1.00 0.00 N ATOM 1532 CA LEU A 94 -9.442 2.670 -6.859 1.00 0.00 C ATOM 1533 C LEU A 94 -8.590 3.406 -7.896 1.00 0.00 C ATOM 1534 O LEU A 94 -8.788 4.595 -8.136 1.00 0.00 O ATOM 1535 CB LEU A 94 -8.890 2.758 -5.435 1.00 0.00 C ATOM 1536 CG LEU A 94 -7.793 3.799 -5.204 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -8.259 4.879 -4.225 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -6.493 3.134 -4.747 1.00 0.00 C ATOM 0 H LEU A 94 -8.942 0.635 -6.819 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.411 3.168 -6.831 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.717 2.975 -4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.499 1.779 -5.157 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.586 4.293 -6.153 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.460 5.606 -4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.138 5.382 -4.629 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.511 4.419 -3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.730 3.896 -4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.667 2.597 -3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.155 2.434 -5.511 1.00 0.00 H new ATOM 1550 N GLN A 95 -7.659 2.666 -8.482 1.00 0.00 N ATOM 1551 CA GLN A 95 -6.776 3.233 -9.486 1.00 0.00 C ATOM 1552 C GLN A 95 -7.582 4.035 -10.510 1.00 0.00 C ATOM 1553 O GLN A 95 -7.067 4.975 -11.112 1.00 0.00 O ATOM 1554 CB GLN A 95 -5.952 2.141 -10.171 1.00 0.00 C ATOM 1555 CG GLN A 95 -4.767 2.742 -10.930 1.00 0.00 C ATOM 1556 CD GLN A 95 -4.390 1.876 -12.133 1.00 0.00 C ATOM 1557 OE1 GLN A 95 -5.174 1.086 -12.633 1.00 0.00 O ATOM 1558 NE2 GLN A 95 -3.148 2.066 -12.569 1.00 0.00 N ATOM 0 H GLN A 95 -7.498 1.679 -8.280 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.081 3.910 -8.989 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.590 1.433 -9.426 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -6.584 1.582 -10.861 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.018 3.748 -11.266 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -3.911 2.834 -10.261 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.543 2.743 -12.105 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.801 1.534 -13.367 1.00 0.00 H new ATOM 1567 N LYS A 96 -8.834 3.633 -10.676 1.00 0.00 N ATOM 1568 CA LYS A 96 -9.716 4.302 -11.617 1.00 0.00 C ATOM 1569 C LYS A 96 -9.916 5.754 -11.178 1.00 0.00 C ATOM 1570 O LYS A 96 -10.168 6.628 -12.006 1.00 0.00 O ATOM 1571 CB LYS A 96 -11.023 3.522 -11.774 1.00 0.00 C ATOM 1572 CG LYS A 96 -10.752 2.025 -11.935 1.00 0.00 C ATOM 1573 CD LYS A 96 -9.497 1.782 -12.776 1.00 0.00 C ATOM 1574 CE LYS A 96 -9.529 0.395 -13.421 1.00 0.00 C ATOM 1575 NZ LYS A 96 -8.174 -0.200 -13.439 1.00 0.00 N ATOM 0 H LYS A 96 -9.258 2.853 -10.175 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.265 4.327 -12.609 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.657 3.689 -10.903 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.569 3.892 -12.642 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.631 1.566 -10.954 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.609 1.545 -12.408 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.420 2.545 -13.550 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.611 1.875 -12.148 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.210 -0.253 -12.869 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.913 0.469 -14.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.214 -1.141 -13.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.534 0.411 -13.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.821 -0.289 -12.465 1.00 0.00 H new ATOM 1589 N CYS A 97 -9.795 5.967 -9.876 1.00 0.00 N ATOM 1590 CA CYS A 97 -9.959 7.298 -9.316 1.00 0.00 C ATOM 1591 C CYS A 97 -8.570 7.890 -9.069 1.00 0.00 C ATOM 1592 O CYS A 97 -8.294 9.022 -9.463 1.00 0.00 O ATOM 1593 CB CYS A 97 -10.805 7.276 -8.042 1.00 0.00 C ATOM 1594 SG CYS A 97 -12.584 7.282 -8.471 1.00 0.00 S ATOM 0 H CYS A 97 -9.585 5.240 -9.192 1.00 0.00 H new ATOM 0 HA CYS A 97 -10.501 7.928 -10.022 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -10.568 6.390 -7.453 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -10.569 8.142 -7.424 1.00 0.00 H new ATOM 0 HG CYS A 97 -13.056 6.074 -8.382 1.00 0.00 H new ATOM 1600 N VAL A 98 -7.732 7.097 -8.417 1.00 0.00 N ATOM 1601 CA VAL A 98 -6.378 7.528 -8.113 1.00 0.00 C ATOM 1602 C VAL A 98 -5.618 7.770 -9.418 1.00 0.00 C ATOM 1603 O VAL A 98 -4.705 8.592 -9.466 1.00 0.00 O ATOM 1604 CB VAL A 98 -5.695 6.504 -7.204 1.00 0.00 C ATOM 1605 CG1 VAL A 98 -4.180 6.719 -7.178 1.00 0.00 C ATOM 1606 CG2 VAL A 98 -6.280 6.549 -5.791 1.00 0.00 C ATOM 0 H VAL A 98 -7.965 6.159 -8.091 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.391 8.471 -7.566 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.886 5.512 -7.614 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.719 5.978 -6.525 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.780 6.613 -8.186 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.961 7.719 -6.804 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.777 5.812 -5.165 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.134 7.543 -5.368 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.346 6.324 -5.831 1.00 0.00 H new ATOM 1616 N GLN A 99 -6.024 7.038 -10.446 1.00 0.00 N ATOM 1617 CA GLN A 99 -5.393 7.162 -11.749 1.00 0.00 C ATOM 1618 C GLN A 99 -5.069 8.628 -12.044 1.00 0.00 C ATOM 1619 O GLN A 99 -4.146 8.923 -12.802 1.00 0.00 O ATOM 1620 CB GLN A 99 -6.277 6.565 -12.845 1.00 0.00 C ATOM 1621 CG GLN A 99 -7.753 6.874 -12.589 1.00 0.00 C ATOM 1622 CD GLN A 99 -8.205 8.097 -13.390 1.00 0.00 C ATOM 1623 OE1 GLN A 99 -7.581 9.145 -13.375 1.00 0.00 O ATOM 1624 NE2 GLN A 99 -9.320 7.905 -14.088 1.00 0.00 N ATOM 0 H GLN A 99 -6.782 6.357 -10.402 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.460 6.599 -11.734 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -5.981 6.966 -13.814 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -6.130 5.486 -12.888 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -8.361 6.011 -12.861 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -7.912 7.053 -11.525 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -9.793 7.002 -14.056 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -9.703 8.661 -14.656 1.00 0.00 H new ATOM 1633 N ARG A 100 -5.846 9.508 -11.430 1.00 0.00 N ATOM 1634 CA ARG A 100 -5.653 10.936 -11.617 1.00 0.00 C ATOM 1635 C ARG A 100 -6.907 11.702 -11.188 1.00 0.00 C ATOM 1636 O ARG A 100 -6.826 12.869 -10.809 1.00 0.00 O ATOM 1637 CB ARG A 100 -5.340 11.262 -13.079 1.00 0.00 C ATOM 1638 CG ARG A 100 -5.452 12.766 -13.341 1.00 0.00 C ATOM 1639 CD ARG A 100 -4.759 13.147 -14.651 1.00 0.00 C ATOM 1640 NE ARG A 100 -5.460 14.287 -15.282 1.00 0.00 N ATOM 1641 CZ ARG A 100 -5.265 14.682 -16.547 1.00 0.00 C ATOM 1642 NH1 ARG A 100 -4.388 14.032 -17.324 1.00 0.00 N ATOM 1643 NH2 ARG A 100 -5.946 15.728 -17.035 1.00 0.00 N ATOM 0 H ARG A 100 -6.611 9.260 -10.802 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.808 11.240 -10.999 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.334 10.920 -13.324 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.028 10.723 -13.731 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.502 13.054 -13.384 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -5.004 13.317 -12.514 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -3.719 13.411 -14.458 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -4.751 12.294 -15.329 1.00 0.00 H new ATOM 0 HE ARG A 100 -6.134 14.805 -14.718 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -3.869 13.237 -16.952 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -4.239 14.333 -18.287 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -6.613 16.223 -16.443 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -5.797 16.029 -17.998 1.00 0.00 H new ATOM 1657 N GLY A 101 -8.036 11.013 -11.262 1.00 0.00 N ATOM 1658 CA GLY A 101 -9.305 11.614 -10.886 1.00 0.00 C ATOM 1659 C GLY A 101 -9.382 11.830 -9.373 1.00 0.00 C ATOM 1660 O GLY A 101 -8.356 11.900 -8.699 1.00 0.00 O ATOM 0 H GLY A 101 -8.099 10.045 -11.577 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.426 12.568 -11.400 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.125 10.972 -11.208 1.00 0.00 H new ATOM 1664 N LEU A 102 -10.609 11.929 -8.884 1.00 0.00 N ATOM 1665 CA LEU A 102 -10.834 12.135 -7.464 1.00 0.00 C ATOM 1666 C LEU A 102 -9.730 13.032 -6.902 1.00 0.00 C ATOM 1667 O LEU A 102 -9.791 14.254 -7.032 1.00 0.00 O ATOM 1668 CB LEU A 102 -10.963 10.793 -6.741 1.00 0.00 C ATOM 1669 CG LEU A 102 -12.226 10.604 -5.897 1.00 0.00 C ATOM 1670 CD1 LEU A 102 -11.936 10.849 -4.415 1.00 0.00 C ATOM 1671 CD2 LEU A 102 -13.366 11.485 -6.412 1.00 0.00 C ATOM 0 H LEU A 102 -11.458 11.870 -9.446 1.00 0.00 H new ATOM 0 HA LEU A 102 -11.780 12.651 -7.300 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.925 9.997 -7.485 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.095 10.667 -6.094 1.00 0.00 H new ATOM 0 HG LEU A 102 -12.551 9.568 -5.994 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.850 10.708 -3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.178 10.145 -4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.574 11.868 -4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -14.251 11.332 -5.795 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -13.067 12.532 -6.364 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -13.593 11.220 -7.445 1.00 0.00 H new ATOM 1683 N TRP A 103 -8.745 12.391 -6.289 1.00 0.00 N ATOM 1684 CA TRP A 103 -7.628 13.116 -5.707 1.00 0.00 C ATOM 1685 C TRP A 103 -6.403 12.200 -5.737 1.00 0.00 C ATOM 1686 O TRP A 103 -6.525 10.988 -5.564 1.00 0.00 O ATOM 1687 CB TRP A 103 -7.970 13.611 -4.300 1.00 0.00 C ATOM 1688 CG TRP A 103 -8.812 12.630 -3.482 1.00 0.00 C ATOM 1689 CD1 TRP A 103 -8.475 11.401 -3.067 1.00 0.00 C ATOM 1690 CD2 TRP A 103 -10.152 12.847 -2.992 1.00 0.00 C ATOM 1691 NE1 TRP A 103 -9.497 10.812 -2.350 1.00 0.00 N ATOM 1692 CE2 TRP A 103 -10.548 11.720 -2.303 1.00 0.00 C ATOM 1693 CE3 TRP A 103 -11.001 13.960 -3.128 1.00 0.00 C ATOM 1694 CZ2 TRP A 103 -11.803 11.595 -1.694 1.00 0.00 C ATOM 1695 CZ3 TRP A 103 -12.251 13.819 -2.515 1.00 0.00 C ATOM 1696 CH2 TRP A 103 -12.666 12.691 -1.817 1.00 0.00 C ATOM 0 H TRP A 103 -8.697 11.378 -6.183 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.406 14.013 -6.286 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -7.044 13.815 -3.763 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -8.507 14.556 -4.379 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -7.524 10.931 -3.268 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -9.483 9.882 -1.932 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -10.711 14.852 -3.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -12.090 10.702 -1.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -12.942 14.645 -2.590 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -13.649 12.660 -1.372 1.00 0.00 H new ATOM 1707 N ASN A 104 -5.250 12.814 -5.957 1.00 0.00 N ATOM 1708 CA ASN A 104 -4.004 12.069 -6.012 1.00 0.00 C ATOM 1709 C ASN A 104 -3.430 11.938 -4.599 1.00 0.00 C ATOM 1710 O ASN A 104 -2.960 12.918 -4.023 1.00 0.00 O ATOM 1711 CB ASN A 104 -2.969 12.790 -6.877 1.00 0.00 C ATOM 1712 CG ASN A 104 -3.563 13.182 -8.232 1.00 0.00 C ATOM 1713 OD1 ASN A 104 -4.768 13.214 -8.424 1.00 0.00 O ATOM 1714 ND2 ASN A 104 -2.654 13.476 -9.157 1.00 0.00 N ATOM 0 H ASN A 104 -5.152 13.819 -6.099 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.215 11.090 -6.443 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -2.615 13.682 -6.359 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.104 12.145 -7.028 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -2.950 13.749 -10.094 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -1.661 13.429 -8.929 1.00 0.00 H new ATOM 1721 N PRO A 105 -3.490 10.687 -4.069 1.00 0.00 N ATOM 1722 CA PRO A 105 -2.983 10.415 -2.735 1.00 0.00 C ATOM 1723 C PRO A 105 -1.453 10.384 -2.726 1.00 0.00 C ATOM 1724 O PRO A 105 -0.837 10.265 -1.668 1.00 0.00 O ATOM 1725 CB PRO A 105 -3.606 9.087 -2.339 1.00 0.00 C ATOM 1726 CG PRO A 105 -4.066 8.440 -3.636 1.00 0.00 C ATOM 1727 CD PRO A 105 -4.040 9.503 -4.722 1.00 0.00 C ATOM 0 HA PRO A 105 -3.248 11.192 -2.018 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -2.884 8.455 -1.822 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.444 9.236 -1.658 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -3.413 7.608 -3.900 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.071 8.033 -3.524 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -3.422 9.193 -5.565 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.039 9.695 -5.113 1.00 0.00 H new ATOM 1735 N LYS A 106 -0.884 10.491 -3.918 1.00 0.00 N ATOM 1736 CA LYS A 106 0.562 10.476 -4.061 1.00 0.00 C ATOM 1737 C LYS A 106 1.181 9.753 -2.863 1.00 0.00 C ATOM 1738 O LYS A 106 2.060 10.294 -2.193 1.00 0.00 O ATOM 1739 CB LYS A 106 1.095 11.896 -4.265 1.00 0.00 C ATOM 1740 CG LYS A 106 -0.045 12.916 -4.254 1.00 0.00 C ATOM 1741 CD LYS A 106 -0.610 13.093 -2.843 1.00 0.00 C ATOM 1742 CE LYS A 106 0.463 12.828 -1.786 1.00 0.00 C ATOM 1743 NZ LYS A 106 -0.032 13.197 -0.441 1.00 0.00 N ATOM 0 H LYS A 106 -1.398 10.588 -4.793 1.00 0.00 H new ATOM 0 HA LYS A 106 0.851 9.921 -4.953 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.810 12.136 -3.478 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.631 11.955 -5.212 1.00 0.00 H new ATOM 0 HG2 LYS A 106 0.316 13.874 -4.628 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.837 12.589 -4.928 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -0.998 14.105 -2.727 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -1.448 12.412 -2.695 1.00 0.00 H new ATOM 0 HE2 LYS A 106 0.744 11.775 -1.800 1.00 0.00 H new ATOM 0 HE3 LYS A 106 1.361 13.400 -2.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 0.709 13.011 0.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -0.278 14.207 -0.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -0.876 12.632 -0.215 1.00 0.00 H new ATOM 1757 N GLU A 107 0.699 8.541 -2.630 1.00 0.00 N ATOM 1758 CA GLU A 107 1.194 7.739 -1.525 1.00 0.00 C ATOM 1759 C GLU A 107 1.207 6.258 -1.909 1.00 0.00 C ATOM 1760 O GLU A 107 0.455 5.833 -2.784 1.00 0.00 O ATOM 1761 CB GLU A 107 0.361 7.971 -0.262 1.00 0.00 C ATOM 1762 CG GLU A 107 0.807 9.243 0.462 1.00 0.00 C ATOM 1763 CD GLU A 107 0.501 9.156 1.959 1.00 0.00 C ATOM 1764 OE1 GLU A 107 -0.703 9.176 2.295 1.00 0.00 O ATOM 1765 OE2 GLU A 107 1.479 9.073 2.733 1.00 0.00 O ATOM 0 H GLU A 107 -0.029 8.095 -3.188 1.00 0.00 H new ATOM 0 HA GLU A 107 2.217 8.047 -1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.693 8.049 -0.527 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.459 7.115 0.405 1.00 0.00 H new ATOM 0 HG2 GLU A 107 1.876 9.395 0.314 1.00 0.00 H new ATOM 0 HG3 GLU A 107 0.300 10.107 0.033 1.00 0.00 H new ATOM 1772 N ALA A 108 2.071 5.512 -1.235 1.00 0.00 N ATOM 1773 CA ALA A 108 2.192 4.088 -1.494 1.00 0.00 C ATOM 1774 C ALA A 108 1.732 3.308 -0.261 1.00 0.00 C ATOM 1775 O ALA A 108 2.203 3.558 0.847 1.00 0.00 O ATOM 1776 CB ALA A 108 3.634 3.761 -1.886 1.00 0.00 C ATOM 0 H ALA A 108 2.694 5.868 -0.510 1.00 0.00 H new ATOM 0 HA ALA A 108 1.553 3.794 -2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 108 3.725 2.692 -2.080 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.902 4.317 -2.784 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.304 4.040 -1.073 1.00 0.00 H new ATOM 1782 N LEU A 109 0.816 2.379 -0.495 1.00 0.00 N ATOM 1783 CA LEU A 109 0.287 1.561 0.584 1.00 0.00 C ATOM 1784 C LEU A 109 0.994 0.204 0.582 1.00 0.00 C ATOM 1785 O LEU A 109 0.904 -0.545 -0.389 1.00 0.00 O ATOM 1786 CB LEU A 109 -1.236 1.462 0.483 1.00 0.00 C ATOM 1787 CG LEU A 109 -1.931 2.580 -0.298 1.00 0.00 C ATOM 1788 CD1 LEU A 109 -2.120 2.188 -1.765 1.00 0.00 C ATOM 1789 CD2 LEU A 109 -3.253 2.972 0.366 1.00 0.00 C ATOM 0 H LEU A 109 0.427 2.175 -1.415 1.00 0.00 H new ATOM 0 HA LEU A 109 0.489 2.025 1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.488 0.509 0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.647 1.442 1.492 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.288 3.460 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.616 3.000 -2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.148 1.997 -2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.731 1.288 -1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.727 3.768 -0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.914 2.106 0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.061 3.322 1.380 1.00 0.00 H new ATOM 1801 N TRP A 110 1.680 -0.071 1.682 1.00 0.00 N ATOM 1802 CA TRP A 110 2.401 -1.325 1.819 1.00 0.00 C ATOM 1803 C TRP A 110 1.674 -2.176 2.863 1.00 0.00 C ATOM 1804 O TRP A 110 1.213 -1.658 3.879 1.00 0.00 O ATOM 1805 CB TRP A 110 3.870 -1.077 2.168 1.00 0.00 C ATOM 1806 CG TRP A 110 4.462 -2.105 3.134 1.00 0.00 C ATOM 1807 CD1 TRP A 110 4.994 -1.889 4.345 1.00 0.00 C ATOM 1808 CD2 TRP A 110 4.563 -3.529 2.920 1.00 0.00 C ATOM 1809 NE1 TRP A 110 5.427 -3.063 4.925 1.00 0.00 N ATOM 1810 CE2 TRP A 110 5.157 -4.093 4.030 1.00 0.00 C ATOM 1811 CE3 TRP A 110 4.164 -4.314 1.824 1.00 0.00 C ATOM 1812 CZ2 TRP A 110 5.406 -5.465 4.153 1.00 0.00 C ATOM 1813 CZ3 TRP A 110 4.420 -5.684 1.962 1.00 0.00 C ATOM 1814 CH2 TRP A 110 5.018 -6.267 3.073 1.00 0.00 C ATOM 0 H TRP A 110 1.752 0.553 2.486 1.00 0.00 H new ATOM 0 HA TRP A 110 2.414 -1.868 0.874 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.456 -1.077 1.249 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.966 -0.084 2.607 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.074 -0.917 4.809 1.00 0.00 H new ATOM 0 HE1 TRP A 110 5.865 -3.158 5.841 1.00 0.00 H new ATOM 0 HE3 TRP A 110 3.697 -3.894 0.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 5.872 -5.882 5.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 4.133 -6.333 1.148 1.00 0.00 H new ATOM 0 HH2 TRP A 110 5.183 -7.334 3.103 1.00 0.00 H new ATOM 1825 N VAL A 111 1.595 -3.467 2.576 1.00 0.00 N ATOM 1826 CA VAL A 111 0.933 -4.395 3.477 1.00 0.00 C ATOM 1827 C VAL A 111 1.543 -5.787 3.308 1.00 0.00 C ATOM 1828 O VAL A 111 1.751 -6.246 2.186 1.00 0.00 O ATOM 1829 CB VAL A 111 -0.578 -4.371 3.235 1.00 0.00 C ATOM 1830 CG1 VAL A 111 -1.102 -2.934 3.185 1.00 0.00 C ATOM 1831 CG2 VAL A 111 -0.941 -5.132 1.959 1.00 0.00 C ATOM 0 H VAL A 111 1.979 -3.892 1.732 1.00 0.00 H new ATOM 0 HA VAL A 111 1.088 -4.096 4.514 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.060 -4.874 4.073 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.178 -2.945 3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.892 -2.437 4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.610 -2.395 2.375 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.020 -5.099 1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.443 -4.670 1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.618 -6.169 2.050 1.00 0.00 H new ATOM 1841 N ASP A 112 1.814 -6.421 4.439 1.00 0.00 N ATOM 1842 CA ASP A 112 2.397 -7.752 4.430 1.00 0.00 C ATOM 1843 C ASP A 112 1.382 -8.752 4.989 1.00 0.00 C ATOM 1844 O ASP A 112 0.705 -8.469 5.976 1.00 0.00 O ATOM 1845 CB ASP A 112 3.650 -7.811 5.306 1.00 0.00 C ATOM 1846 CG ASP A 112 3.820 -9.105 6.105 1.00 0.00 C ATOM 1847 OD1 ASP A 112 4.055 -10.146 5.456 1.00 0.00 O ATOM 1848 OD2 ASP A 112 3.711 -9.023 7.348 1.00 0.00 O ATOM 0 H ASP A 112 1.641 -6.038 5.368 1.00 0.00 H new ATOM 0 HA ASP A 112 2.664 -7.996 3.402 1.00 0.00 H new ATOM 0 HB2 ASP A 112 4.526 -7.676 4.671 1.00 0.00 H new ATOM 0 HB3 ASP A 112 3.628 -6.972 6.002 1.00 0.00 H new ATOM 1853 N TRP A 113 1.309 -9.901 4.333 1.00 0.00 N ATOM 1854 CA TRP A 113 0.389 -10.945 4.752 1.00 0.00 C ATOM 1855 C TRP A 113 1.211 -12.091 5.345 1.00 0.00 C ATOM 1856 O TRP A 113 0.660 -13.123 5.724 1.00 0.00 O ATOM 1857 CB TRP A 113 -0.503 -11.387 3.591 1.00 0.00 C ATOM 1858 CG TRP A 113 -1.981 -11.529 3.960 1.00 0.00 C ATOM 1859 CD1 TRP A 113 -2.942 -10.597 3.893 1.00 0.00 C ATOM 1860 CD2 TRP A 113 -2.632 -12.716 4.460 1.00 0.00 C ATOM 1861 NE1 TRP A 113 -4.159 -11.094 4.311 1.00 0.00 N ATOM 1862 CE2 TRP A 113 -3.965 -12.424 4.667 1.00 0.00 C ATOM 1863 CE3 TRP A 113 -2.113 -13.995 4.727 1.00 0.00 C ATOM 1864 CZ2 TRP A 113 -4.889 -13.358 5.151 1.00 0.00 C ATOM 1865 CZ3 TRP A 113 -3.048 -14.917 5.211 1.00 0.00 C ATOM 1866 CH2 TRP A 113 -4.393 -14.639 5.425 1.00 0.00 C ATOM 0 H TRP A 113 1.872 -10.132 3.514 1.00 0.00 H new ATOM 0 HA TRP A 113 -0.292 -10.574 5.518 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -0.410 -10.665 2.780 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -0.141 -12.342 3.211 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -2.783 -9.584 3.554 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -5.039 -10.580 4.351 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -1.074 -14.246 4.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -5.928 -13.105 5.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -2.700 -15.915 5.434 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -5.053 -15.407 5.801 1.00 0.00 H new ATOM 1877 N GLU A 114 2.516 -11.870 5.406 1.00 0.00 N ATOM 1878 CA GLU A 114 3.420 -12.872 5.946 1.00 0.00 C ATOM 1879 C GLU A 114 3.607 -12.662 7.450 1.00 0.00 C ATOM 1880 O GLU A 114 3.407 -13.585 8.238 1.00 0.00 O ATOM 1881 CB GLU A 114 4.765 -12.847 5.217 1.00 0.00 C ATOM 1882 CG GLU A 114 5.627 -14.046 5.615 1.00 0.00 C ATOM 1883 CD GLU A 114 4.786 -15.322 5.698 1.00 0.00 C ATOM 1884 OE1 GLU A 114 4.188 -15.676 4.659 1.00 0.00 O ATOM 1885 OE2 GLU A 114 4.761 -15.915 6.798 1.00 0.00 O ATOM 0 H GLU A 114 2.969 -11.012 5.091 1.00 0.00 H new ATOM 0 HA GLU A 114 2.977 -13.856 5.788 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.599 -12.856 4.140 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.292 -11.922 5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.428 -14.180 4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.100 -13.855 6.578 1.00 0.00 H new ATOM 1892 N ASN A 115 3.988 -11.443 7.802 1.00 0.00 N ATOM 1893 CA ASN A 115 4.205 -11.101 9.197 1.00 0.00 C ATOM 1894 C ASN A 115 3.188 -10.039 9.621 1.00 0.00 C ATOM 1895 O ASN A 115 3.367 -9.374 10.640 1.00 0.00 O ATOM 1896 CB ASN A 115 5.606 -10.525 9.412 1.00 0.00 C ATOM 1897 CG ASN A 115 6.529 -11.558 10.061 1.00 0.00 C ATOM 1898 OD1 ASN A 115 7.101 -11.342 11.117 1.00 0.00 O ATOM 1899 ND2 ASN A 115 6.643 -12.690 9.372 1.00 0.00 N ATOM 0 H ASN A 115 4.152 -10.680 7.145 1.00 0.00 H new ATOM 0 HA ASN A 115 4.094 -12.010 9.788 1.00 0.00 H new ATOM 0 HB2 ASN A 115 6.024 -10.208 8.456 1.00 0.00 H new ATOM 0 HB3 ASN A 115 5.546 -9.638 10.043 1.00 0.00 H new ATOM 0 HD21 ASN A 115 7.237 -13.442 9.721 1.00 0.00 H new ATOM 0 HD22 ASN A 115 6.136 -12.806 8.494 1.00 0.00 H new ATOM 1906 N LYS A 116 2.142 -9.914 8.817 1.00 0.00 N ATOM 1907 CA LYS A 116 1.096 -8.945 9.096 1.00 0.00 C ATOM 1908 C LYS A 116 1.727 -7.569 9.321 1.00 0.00 C ATOM 1909 O LYS A 116 1.556 -6.969 10.381 1.00 0.00 O ATOM 1910 CB LYS A 116 0.223 -9.418 10.260 1.00 0.00 C ATOM 1911 CG LYS A 116 1.024 -9.466 11.563 1.00 0.00 C ATOM 1912 CD LYS A 116 0.095 -9.512 12.777 1.00 0.00 C ATOM 1913 CE LYS A 116 0.859 -9.199 14.065 1.00 0.00 C ATOM 1914 NZ LYS A 116 0.866 -10.375 14.963 1.00 0.00 N ATOM 0 H LYS A 116 1.997 -10.468 7.973 1.00 0.00 H new ATOM 0 HA LYS A 116 0.426 -8.853 8.242 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.628 -8.747 10.377 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -0.179 -10.407 10.039 1.00 0.00 H new ATOM 0 HG2 LYS A 116 1.672 -10.342 11.563 1.00 0.00 H new ATOM 0 HG3 LYS A 116 1.671 -8.591 11.629 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.715 -8.794 12.647 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.362 -10.499 12.852 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.883 -8.910 13.826 1.00 0.00 H new ATOM 0 HE3 LYS A 116 0.398 -8.351 14.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 1.389 -10.145 15.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -0.112 -10.633 15.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 1.326 -11.175 14.484 1.00 0.00 H new ATOM 1928 N LEU A 117 2.445 -7.110 8.307 1.00 0.00 N ATOM 1929 CA LEU A 117 3.103 -5.817 8.381 1.00 0.00 C ATOM 1930 C LEU A 117 2.486 -4.875 7.345 1.00 0.00 C ATOM 1931 O LEU A 117 2.664 -5.066 6.143 1.00 0.00 O ATOM 1932 CB LEU A 117 4.618 -5.978 8.239 1.00 0.00 C ATOM 1933 CG LEU A 117 5.474 -5.140 9.191 1.00 0.00 C ATOM 1934 CD1 LEU A 117 4.615 -4.514 10.293 1.00 0.00 C ATOM 1935 CD2 LEU A 117 6.627 -5.966 9.764 1.00 0.00 C ATOM 0 H LEU A 117 2.586 -7.611 7.429 1.00 0.00 H new ATOM 0 HA LEU A 117 2.943 -5.364 9.360 1.00 0.00 H new ATOM 0 HB2 LEU A 117 4.867 -7.029 8.388 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.896 -5.726 7.215 1.00 0.00 H new ATOM 0 HG LEU A 117 5.916 -4.322 8.622 1.00 0.00 H new ATOM 0 HD11 LEU A 117 5.247 -3.924 10.956 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.859 -3.870 9.844 1.00 0.00 H new ATOM 0 HD13 LEU A 117 4.126 -5.302 10.865 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.219 -5.346 10.437 1.00 0.00 H new ATOM 0 HD22 LEU A 117 6.226 -6.818 10.313 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.258 -6.323 8.950 1.00 0.00 H new ATOM 1947 N VAL A 118 1.773 -3.879 7.849 1.00 0.00 N ATOM 1948 CA VAL A 118 1.128 -2.907 6.982 1.00 0.00 C ATOM 1949 C VAL A 118 1.352 -1.502 7.544 1.00 0.00 C ATOM 1950 O VAL A 118 1.421 -1.318 8.758 1.00 0.00 O ATOM 1951 CB VAL A 118 -0.353 -3.255 6.816 1.00 0.00 C ATOM 1952 CG1 VAL A 118 -0.530 -4.723 6.420 1.00 0.00 C ATOM 1953 CG2 VAL A 118 -1.138 -2.932 8.088 1.00 0.00 C ATOM 0 H VAL A 118 1.627 -3.724 8.847 1.00 0.00 H new ATOM 0 HA VAL A 118 1.568 -2.933 5.985 1.00 0.00 H new ATOM 0 HB VAL A 118 -0.754 -2.640 6.010 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -1.591 -4.944 6.308 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -0.019 -4.909 5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -0.105 -5.362 7.194 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -2.187 -3.189 7.943 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -0.735 -3.509 8.921 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -1.052 -1.868 8.308 1.00 0.00 H new ATOM 1963 N GLY A 119 1.460 -0.545 6.633 1.00 0.00 N ATOM 1964 CA GLY A 119 1.675 0.838 7.022 1.00 0.00 C ATOM 1965 C GLY A 119 1.395 1.786 5.854 1.00 0.00 C ATOM 1966 O GLY A 119 1.673 1.456 4.702 1.00 0.00 O ATOM 0 H GLY A 119 1.403 -0.701 5.627 1.00 0.00 H new ATOM 0 HA2 GLY A 119 1.027 1.088 7.862 1.00 0.00 H new ATOM 0 HA3 GLY A 119 2.702 0.968 7.363 1.00 0.00 H new ATOM 1970 N ASN A 120 0.848 2.944 6.192 1.00 0.00 N ATOM 1971 CA ASN A 120 0.527 3.942 5.186 1.00 0.00 C ATOM 1972 C ASN A 120 1.745 4.841 4.958 1.00 0.00 C ATOM 1973 O ASN A 120 1.938 5.823 5.674 1.00 0.00 O ATOM 1974 CB ASN A 120 -0.635 4.828 5.639 1.00 0.00 C ATOM 1975 CG ASN A 120 -0.508 5.185 7.121 1.00 0.00 C ATOM 1976 OD1 ASN A 120 -0.601 4.343 7.999 1.00 0.00 O ATOM 1977 ND2 ASN A 120 -0.289 6.477 7.349 1.00 0.00 N ATOM 0 H ASN A 120 0.619 3.214 7.149 1.00 0.00 H new ATOM 0 HA ASN A 120 0.247 3.420 4.271 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -0.656 5.740 5.042 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -1.579 4.312 5.465 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -0.188 6.816 8.306 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -0.222 7.129 6.567 1.00 0.00 H new ATOM 1984 N GLU A 121 2.534 4.472 3.960 1.00 0.00 N ATOM 1985 CA GLU A 121 3.728 5.232 3.630 1.00 0.00 C ATOM 1986 C GLU A 121 4.713 4.361 2.848 1.00 0.00 C ATOM 1987 O GLU A 121 4.752 3.145 3.031 1.00 0.00 O ATOM 1988 CB GLU A 121 4.381 5.802 4.891 1.00 0.00 C ATOM 1989 CG GLU A 121 4.404 4.763 6.014 1.00 0.00 C ATOM 1990 CD GLU A 121 3.881 5.359 7.322 1.00 0.00 C ATOM 1991 OE1 GLU A 121 4.108 6.571 7.525 1.00 0.00 O ATOM 1992 OE2 GLU A 121 3.266 4.588 8.091 1.00 0.00 O ATOM 0 H GLU A 121 2.370 3.657 3.369 1.00 0.00 H new ATOM 0 HA GLU A 121 3.437 6.072 3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 121 5.398 6.121 4.665 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.835 6.686 5.220 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.795 3.904 5.732 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.421 4.399 6.157 1.00 0.00 H new ATOM 1999 N PRO A 122 5.503 5.034 1.969 1.00 0.00 N ATOM 2000 CA PRO A 122 6.485 4.334 1.159 1.00 0.00 C ATOM 2001 C PRO A 122 7.700 3.930 1.996 1.00 0.00 C ATOM 2002 O PRO A 122 8.303 2.885 1.757 1.00 0.00 O ATOM 2003 CB PRO A 122 6.832 5.302 0.039 1.00 0.00 C ATOM 2004 CG PRO A 122 6.386 6.673 0.519 1.00 0.00 C ATOM 2005 CD PRO A 122 5.484 6.473 1.726 1.00 0.00 C ATOM 0 HA PRO A 122 6.105 3.396 0.755 1.00 0.00 H new ATOM 0 HB2 PRO A 122 7.902 5.290 -0.170 1.00 0.00 H new ATOM 0 HB3 PRO A 122 6.324 5.028 -0.886 1.00 0.00 H new ATOM 0 HG2 PRO A 122 7.249 7.284 0.784 1.00 0.00 H new ATOM 0 HG3 PRO A 122 5.853 7.200 -0.273 1.00 0.00 H new ATOM 0 HD2 PRO A 122 5.852 7.025 2.591 1.00 0.00 H new ATOM 0 HD3 PRO A 122 4.473 6.828 1.528 1.00 0.00 H new ATOM 2013 N ALA A 123 8.023 4.779 2.961 1.00 0.00 N ATOM 2014 CA ALA A 123 9.155 4.523 3.835 1.00 0.00 C ATOM 2015 C ALA A 123 8.900 3.241 4.631 1.00 0.00 C ATOM 2016 O ALA A 123 9.835 2.511 4.955 1.00 0.00 O ATOM 2017 CB ALA A 123 9.385 5.735 4.740 1.00 0.00 C ATOM 0 H ALA A 123 7.520 5.645 3.157 1.00 0.00 H new ATOM 0 HA ALA A 123 10.064 4.374 3.252 1.00 0.00 H new ATOM 0 HB1 ALA A 123 10.234 5.543 5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 123 9.591 6.613 4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 123 8.494 5.914 5.342 1.00 0.00 H new ATOM 2023 N ASP A 124 7.629 3.007 4.923 1.00 0.00 N ATOM 2024 CA ASP A 124 7.239 1.826 5.674 1.00 0.00 C ATOM 2025 C ASP A 124 7.872 0.589 5.035 1.00 0.00 C ATOM 2026 O ASP A 124 8.237 -0.356 5.733 1.00 0.00 O ATOM 2027 CB ASP A 124 5.720 1.641 5.661 1.00 0.00 C ATOM 2028 CG ASP A 124 5.125 1.084 6.955 1.00 0.00 C ATOM 2029 OD1 ASP A 124 5.165 -0.155 7.111 1.00 0.00 O ATOM 2030 OD2 ASP A 124 4.643 1.911 7.760 1.00 0.00 O ATOM 0 H ASP A 124 6.856 3.615 4.653 1.00 0.00 H new ATOM 0 HA ASP A 124 7.577 1.953 6.702 1.00 0.00 H new ATOM 0 HB2 ASP A 124 5.254 2.603 5.449 1.00 0.00 H new ATOM 0 HB3 ASP A 124 5.458 0.972 4.841 1.00 0.00 H new ATOM 2035 N ILE A 125 7.982 0.634 3.716 1.00 0.00 N ATOM 2036 CA ILE A 125 8.564 -0.472 2.975 1.00 0.00 C ATOM 2037 C ILE A 125 10.034 -0.628 3.370 1.00 0.00 C ATOM 2038 O ILE A 125 10.450 -1.694 3.821 1.00 0.00 O ATOM 2039 CB ILE A 125 8.347 -0.284 1.472 1.00 0.00 C ATOM 2040 CG1 ILE A 125 7.094 -1.024 1.002 1.00 0.00 C ATOM 2041 CG2 ILE A 125 9.590 -0.702 0.683 1.00 0.00 C ATOM 2042 CD1 ILE A 125 7.309 -1.643 -0.381 1.00 0.00 C ATOM 0 H ILE A 125 7.678 1.419 3.141 1.00 0.00 H new ATOM 0 HA ILE A 125 8.064 -1.406 3.231 1.00 0.00 H new ATOM 0 HB ILE A 125 8.185 0.777 1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.838 -1.805 1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 125 6.251 -0.334 0.968 1.00 0.00 H new ATOM 0 HG21 ILE A 125 9.410 -0.559 -0.382 1.00 0.00 H new ATOM 0 HG22 ILE A 125 10.439 -0.093 0.993 1.00 0.00 H new ATOM 0 HG23 ILE A 125 9.807 -1.752 0.876 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.403 -2.163 -0.692 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.540 -0.857 -1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 125 8.137 -2.351 -0.338 1.00 0.00 H new ATOM 2054 N ASP A 126 10.780 0.452 3.187 1.00 0.00 N ATOM 2055 CA ASP A 126 12.194 0.449 3.518 1.00 0.00 C ATOM 2056 C ASP A 126 12.367 0.089 4.995 1.00 0.00 C ATOM 2057 O ASP A 126 13.116 -0.826 5.331 1.00 0.00 O ATOM 2058 CB ASP A 126 12.816 1.829 3.292 1.00 0.00 C ATOM 2059 CG ASP A 126 14.077 2.112 4.110 1.00 0.00 C ATOM 2060 OD1 ASP A 126 13.915 2.525 5.279 1.00 0.00 O ATOM 2061 OD2 ASP A 126 15.175 1.909 3.549 1.00 0.00 O ATOM 0 H ASP A 126 10.431 1.335 2.814 1.00 0.00 H new ATOM 0 HA ASP A 126 12.689 -0.279 2.875 1.00 0.00 H new ATOM 0 HB2 ASP A 126 13.056 1.934 2.234 1.00 0.00 H new ATOM 0 HB3 ASP A 126 12.071 2.589 3.526 1.00 0.00 H new ATOM 2066 N LYS A 127 11.661 0.829 5.838 1.00 0.00 N ATOM 2067 CA LYS A 127 11.727 0.599 7.271 1.00 0.00 C ATOM 2068 C LYS A 127 11.695 -0.906 7.544 1.00 0.00 C ATOM 2069 O LYS A 127 12.539 -1.427 8.272 1.00 0.00 O ATOM 2070 CB LYS A 127 10.623 1.378 7.990 1.00 0.00 C ATOM 2071 CG LYS A 127 11.055 2.821 8.256 1.00 0.00 C ATOM 2072 CD LYS A 127 10.894 3.682 7.001 1.00 0.00 C ATOM 2073 CE LYS A 127 11.414 5.101 7.239 1.00 0.00 C ATOM 2074 NZ LYS A 127 10.925 5.621 8.535 1.00 0.00 N ATOM 0 H LYS A 127 11.041 1.588 5.556 1.00 0.00 H new ATOM 0 HA LYS A 127 12.667 0.977 7.674 1.00 0.00 H new ATOM 0 HB2 LYS A 127 9.716 1.372 7.386 1.00 0.00 H new ATOM 0 HB3 LYS A 127 10.381 0.887 8.933 1.00 0.00 H new ATOM 0 HG2 LYS A 127 10.459 3.239 9.067 1.00 0.00 H new ATOM 0 HG3 LYS A 127 12.095 2.839 8.583 1.00 0.00 H new ATOM 0 HD2 LYS A 127 11.435 3.227 6.172 1.00 0.00 H new ATOM 0 HD3 LYS A 127 9.843 3.719 6.714 1.00 0.00 H new ATOM 0 HE2 LYS A 127 12.504 5.102 7.228 1.00 0.00 H new ATOM 0 HE3 LYS A 127 11.086 5.755 6.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 10.907 6.660 8.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 9.965 5.263 8.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 11.559 5.306 9.297 1.00 0.00 H new ATOM 2088 N TYR A 128 10.712 -1.563 6.945 1.00 0.00 N ATOM 2089 CA TYR A 128 10.560 -2.998 7.114 1.00 0.00 C ATOM 2090 C TYR A 128 11.123 -3.755 5.910 1.00 0.00 C ATOM 2091 O TYR A 128 12.302 -4.104 5.887 1.00 0.00 O ATOM 2092 CB TYR A 128 9.054 -3.254 7.204 1.00 0.00 C ATOM 2093 CG TYR A 128 8.685 -4.720 7.439 1.00 0.00 C ATOM 2094 CD1 TYR A 128 9.535 -5.539 8.155 1.00 0.00 C ATOM 2095 CD2 TYR A 128 7.503 -5.224 6.936 1.00 0.00 C ATOM 2096 CE1 TYR A 128 9.187 -6.919 8.377 1.00 0.00 C ATOM 2097 CE2 TYR A 128 7.155 -6.604 7.158 1.00 0.00 C ATOM 2098 CZ TYR A 128 8.015 -7.383 7.867 1.00 0.00 C ATOM 2099 OH TYR A 128 7.687 -8.686 8.077 1.00 0.00 O ATOM 0 H TYR A 128 10.013 -1.128 6.342 1.00 0.00 H new ATOM 0 HA TYR A 128 11.096 -3.339 8.000 1.00 0.00 H new ATOM 0 HB2 TYR A 128 8.641 -2.652 8.013 1.00 0.00 H new ATOM 0 HB3 TYR A 128 8.582 -2.915 6.282 1.00 0.00 H new ATOM 0 HD1 TYR A 128 10.460 -5.145 8.548 1.00 0.00 H new ATOM 0 HD2 TYR A 128 6.838 -4.583 6.375 1.00 0.00 H new ATOM 0 HE1 TYR A 128 9.842 -7.571 8.936 1.00 0.00 H new ATOM 0 HE2 TYR A 128 6.233 -7.011 6.770 1.00 0.00 H new ATOM 0 HH TYR A 128 8.287 -9.070 8.751 1.00 0.00 H new ATOM 2109 N ILE A 129 10.253 -3.988 4.938 1.00 0.00 N ATOM 2110 CA ILE A 129 10.649 -4.697 3.733 1.00 0.00 C ATOM 2111 C ILE A 129 11.013 -3.684 2.646 1.00 0.00 C ATOM 2112 O ILE A 129 10.157 -3.270 1.866 1.00 0.00 O ATOM 2113 CB ILE A 129 9.560 -5.686 3.312 1.00 0.00 C ATOM 2114 CG1 ILE A 129 8.167 -5.129 3.612 1.00 0.00 C ATOM 2115 CG2 ILE A 129 9.782 -7.055 3.959 1.00 0.00 C ATOM 2116 CD1 ILE A 129 8.005 -3.720 3.040 1.00 0.00 C ATOM 0 H ILE A 129 9.275 -3.698 4.960 1.00 0.00 H new ATOM 0 HA ILE A 129 11.539 -5.298 3.920 1.00 0.00 H new ATOM 0 HB ILE A 129 9.625 -5.826 2.233 1.00 0.00 H new ATOM 0 HG12 ILE A 129 7.409 -5.787 3.187 1.00 0.00 H new ATOM 0 HG13 ILE A 129 8.004 -5.109 4.690 1.00 0.00 H new ATOM 0 HG21 ILE A 129 8.994 -7.739 3.643 1.00 0.00 H new ATOM 0 HG22 ILE A 129 10.750 -7.450 3.651 1.00 0.00 H new ATOM 0 HG23 ILE A 129 9.760 -6.953 5.044 1.00 0.00 H new ATOM 0 HD11 ILE A 129 7.006 -3.348 3.267 1.00 0.00 H new ATOM 0 HD12 ILE A 129 8.749 -3.059 3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 129 8.145 -3.748 1.959 1.00 0.00 H new ATOM 2128 N ILE A 130 12.285 -3.314 2.630 1.00 0.00 N ATOM 2129 CA ILE A 130 12.774 -2.357 1.651 1.00 0.00 C ATOM 2130 C ILE A 130 12.295 -2.770 0.258 1.00 0.00 C ATOM 2131 O ILE A 130 11.306 -3.488 0.125 1.00 0.00 O ATOM 2132 CB ILE A 130 14.292 -2.206 1.761 1.00 0.00 C ATOM 2133 CG1 ILE A 130 14.987 -3.566 1.664 1.00 0.00 C ATOM 2134 CG2 ILE A 130 14.678 -1.455 3.037 1.00 0.00 C ATOM 2135 CD1 ILE A 130 15.048 -4.048 0.213 1.00 0.00 C ATOM 0 H ILE A 130 12.992 -3.659 3.279 1.00 0.00 H new ATOM 0 HA ILE A 130 12.364 -1.366 1.848 1.00 0.00 H new ATOM 0 HB ILE A 130 14.637 -1.607 0.918 1.00 0.00 H new ATOM 0 HG12 ILE A 130 15.996 -3.492 2.069 1.00 0.00 H new ATOM 0 HG13 ILE A 130 14.452 -4.296 2.271 1.00 0.00 H new ATOM 0 HG21 ILE A 130 15.763 -1.362 3.090 1.00 0.00 H new ATOM 0 HG22 ILE A 130 14.228 -0.462 3.025 1.00 0.00 H new ATOM 0 HG23 ILE A 130 14.318 -2.006 3.906 1.00 0.00 H new ATOM 0 HD11 ILE A 130 15.547 -5.016 0.172 1.00 0.00 H new ATOM 0 HD12 ILE A 130 14.036 -4.144 -0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 130 15.605 -3.328 -0.387 1.00 0.00 H new ATOM 2147 N GLN A 131 13.021 -2.298 -0.746 1.00 0.00 N ATOM 2148 CA GLN A 131 12.683 -2.609 -2.124 1.00 0.00 C ATOM 2149 C GLN A 131 12.584 -4.124 -2.318 1.00 0.00 C ATOM 2150 O GLN A 131 11.507 -4.649 -2.597 1.00 0.00 O ATOM 2151 CB GLN A 131 13.701 -1.999 -3.089 1.00 0.00 C ATOM 2152 CG GLN A 131 14.225 -0.662 -2.561 1.00 0.00 C ATOM 2153 CD GLN A 131 15.469 -0.865 -1.694 1.00 0.00 C ATOM 2154 OE1 GLN A 131 15.587 -0.337 -0.600 1.00 0.00 O ATOM 2155 NE2 GLN A 131 16.387 -1.656 -2.241 1.00 0.00 N ATOM 0 H GLN A 131 13.841 -1.703 -0.632 1.00 0.00 H new ATOM 0 HA GLN A 131 11.711 -2.169 -2.347 1.00 0.00 H new ATOM 0 HB2 GLN A 131 14.533 -2.689 -3.230 1.00 0.00 H new ATOM 0 HB3 GLN A 131 13.239 -1.853 -4.065 1.00 0.00 H new ATOM 0 HG2 GLN A 131 14.463 -0.005 -3.397 1.00 0.00 H new ATOM 0 HG3 GLN A 131 13.448 -0.167 -1.978 1.00 0.00 H new ATOM 0 HE21 GLN A 131 16.224 -2.066 -3.161 1.00 0.00 H new ATOM 0 HE22 GLN A 131 17.254 -1.853 -1.741 1.00 0.00 H new ATOM 2164 N ARG A 132 13.722 -4.784 -2.160 1.00 0.00 N ATOM 2165 CA ARG A 132 13.777 -6.228 -2.314 1.00 0.00 C ATOM 2166 C ARG A 132 12.477 -6.864 -1.818 1.00 0.00 C ATOM 2167 O ARG A 132 11.680 -7.358 -2.615 1.00 0.00 O ATOM 2168 CB ARG A 132 14.955 -6.820 -1.537 1.00 0.00 C ATOM 2169 CG ARG A 132 16.185 -6.966 -2.435 1.00 0.00 C ATOM 2170 CD ARG A 132 15.877 -7.844 -3.649 1.00 0.00 C ATOM 2171 NE ARG A 132 15.793 -7.009 -4.869 1.00 0.00 N ATOM 2172 CZ ARG A 132 15.127 -7.363 -5.976 1.00 0.00 C ATOM 2173 NH1 ARG A 132 14.483 -8.537 -6.025 1.00 0.00 N ATOM 2174 NH2 ARG A 132 15.105 -6.542 -7.036 1.00 0.00 N ATOM 0 H ARG A 132 14.613 -4.346 -1.927 1.00 0.00 H new ATOM 0 HA ARG A 132 13.910 -6.444 -3.374 1.00 0.00 H new ATOM 0 HB2 ARG A 132 15.194 -6.180 -0.688 1.00 0.00 H new ATOM 0 HB3 ARG A 132 14.677 -7.794 -1.134 1.00 0.00 H new ATOM 0 HG2 ARG A 132 16.515 -5.982 -2.768 1.00 0.00 H new ATOM 0 HG3 ARG A 132 17.006 -7.402 -1.865 1.00 0.00 H new ATOM 0 HD2 ARG A 132 16.654 -8.600 -3.768 1.00 0.00 H new ATOM 0 HD3 ARG A 132 14.937 -8.374 -3.496 1.00 0.00 H new ATOM 0 HE ARG A 132 16.272 -6.108 -4.866 1.00 0.00 H new ATOM 0 HH11 ARG A 132 14.500 -9.162 -5.219 1.00 0.00 H new ATOM 0 HH12 ARG A 132 13.976 -8.806 -6.868 1.00 0.00 H new ATOM 0 HH21 ARG A 132 15.595 -5.648 -6.999 1.00 0.00 H new ATOM 0 HH22 ARG A 132 14.598 -6.811 -7.879 1.00 0.00 H new ATOM 2188 N LYS A 133 12.302 -6.832 -0.505 1.00 0.00 N ATOM 2189 CA LYS A 133 11.112 -7.399 0.106 1.00 0.00 C ATOM 2190 C LYS A 133 9.966 -6.390 0.014 1.00 0.00 C ATOM 2191 O LYS A 133 9.980 -5.506 -0.842 1.00 0.00 O ATOM 2192 CB LYS A 133 11.412 -7.862 1.533 1.00 0.00 C ATOM 2193 CG LYS A 133 10.707 -9.185 1.840 1.00 0.00 C ATOM 2194 CD LYS A 133 11.274 -9.827 3.108 1.00 0.00 C ATOM 2195 CE LYS A 133 10.433 -11.031 3.536 1.00 0.00 C ATOM 2196 NZ LYS A 133 10.154 -11.906 2.376 1.00 0.00 N ATOM 0 H LYS A 133 12.965 -6.422 0.153 1.00 0.00 H new ATOM 0 HA LYS A 133 10.794 -8.291 -0.434 1.00 0.00 H new ATOM 0 HB2 LYS A 133 12.488 -7.981 1.662 1.00 0.00 H new ATOM 0 HB3 LYS A 133 11.088 -7.100 2.242 1.00 0.00 H new ATOM 0 HG2 LYS A 133 9.638 -9.012 1.963 1.00 0.00 H new ATOM 0 HG3 LYS A 133 10.825 -9.868 0.999 1.00 0.00 H new ATOM 0 HD2 LYS A 133 12.303 -10.142 2.932 1.00 0.00 H new ATOM 0 HD3 LYS A 133 11.299 -9.092 3.912 1.00 0.00 H new ATOM 0 HE2 LYS A 133 10.960 -11.595 4.306 1.00 0.00 H new ATOM 0 HE3 LYS A 133 9.496 -10.690 3.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 9.976 -12.876 2.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 9.317 -11.554 1.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 10.973 -11.904 1.735 1.00 0.00 H new TER 2210 LYS A 133