USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1055 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 77 GLN : amide:sc= 0.815 K(o=3.9,f=1.9) USER MOD Set 1.2: A 79 HIS : no HE2:sc= 1.84 K(o=3.9,f=-5.6) USER MOD Set 1.3: A 98 SER OG : rot 180:sc= 0.373 USER MOD Set 1.4: A 100 LYS NZ :NH3+ -136:sc= 0.907 (180deg=0) USER MOD Set 2.1: A 65 GLN : amide:sc= 0.566 K(o=0.57,f=-0.1) USER MOD Set 2.2: A 68 MET CE :methyl 179:sc= 0 (180deg=-0.000434) USER MOD Single : A 0 MET CE :methyl 160:sc= 0 (180deg=-0.551) USER MOD Single : A 6 ASN : amide:sc=-0.000193 X(o=-0.00019,f=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A -5 TYR OH : rot 30:sc= -0.103 USER MOD Single : A 10 GLN : amide:sc= -0.0849 X(o=-0.085,f=-0.14) USER MOD Single : A 12 MET CE :methyl 177:sc= 0 (180deg=-0.0121) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0163 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00157 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -155:sc= 0.937 (180deg=0.504) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 151:sc= 0.11 (180deg=-1.28!) USER MOD Single : A 46 SER OG : rot 61:sc= 0.361 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 51 LYS NZ :NH3+ 177:sc= 2.21 (180deg=2.14) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot -36:sc= 0.89 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -168:sc= 1.18 (180deg=1.11) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0.624 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 1.12 K(o=1.1,f=-0.15) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 77:sc= 0.88 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A -11 MET CE :methyl 175:sc= 0 (180deg=-0.0208) USER MOD Single : A -11 MET N :NH3+ 146:sc= 0.00309 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.153 K(o=-0.15,f=-0.81) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 1.21 (180deg=1.21) USER MOD Single : A 106 TYR OH : rot -10:sc= 1.25 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -178:sc= -0.348 (180deg=-0.352) USER MOD Single : A 109 MET CE :methyl -133:sc= 0 (180deg=-0.201) USER MOD Single : A 111 SER OG : rot 76:sc= 0.445 USER MOD Single : A 112 MET CE :methyl -168:sc= -0.217 (180deg=-0.765) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= 0.731 K(o=0.73,f=0) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 118 MET CE :methyl 176:sc= 0 (180deg=-0.0234) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -11 3.278 -6.468 22.620 1.00 0.00 N ATOM 2 CA MET A -11 1.981 -5.947 22.114 1.00 0.00 C ATOM 3 C MET A -11 1.914 -6.086 20.587 1.00 0.00 C ATOM 4 O MET A -11 2.865 -5.672 19.916 1.00 0.00 O ATOM 5 CB MET A -11 1.764 -4.484 22.558 1.00 0.00 C ATOM 6 CG MET A -11 0.381 -3.926 22.189 1.00 0.00 C ATOM 7 SD MET A -11 -1.032 -4.674 23.058 1.00 0.00 S ATOM 8 CE MET A -11 -0.812 -3.993 24.727 1.00 0.00 C ATOM 0 H1 MET A -11 3.580 -5.908 23.443 1.00 0.00 H new ATOM 0 H2 MET A -11 3.167 -7.463 22.900 1.00 0.00 H new ATOM 0 H3 MET A -11 3.996 -6.398 21.871 1.00 0.00 H new ATOM 0 HA MET A -11 1.174 -6.540 22.544 1.00 0.00 H new ATOM 0 HB2 MET A -11 1.897 -4.418 23.638 1.00 0.00 H new ATOM 0 HB3 MET A -11 2.532 -3.858 22.104 1.00 0.00 H new ATOM 0 HG2 MET A -11 0.378 -2.854 22.386 1.00 0.00 H new ATOM 0 HG3 MET A -11 0.233 -4.054 21.117 1.00 0.00 H new ATOM 0 HE1 MET A -11 -1.652 -4.289 25.355 1.00 0.00 H new ATOM 0 HE2 MET A -11 0.114 -4.375 25.157 1.00 0.00 H new ATOM 0 HE3 MET A -11 -0.765 -2.905 24.673 1.00 0.00 H new ATOM 20 N PRO A -10 0.832 -6.654 20.013 1.00 0.00 N ATOM 21 CA PRO A -10 0.653 -6.783 18.559 1.00 0.00 C ATOM 22 C PRO A -10 0.660 -5.448 17.792 1.00 0.00 C ATOM 23 O PRO A -10 0.357 -4.392 18.362 1.00 0.00 O ATOM 24 CB PRO A -10 -0.676 -7.525 18.375 1.00 0.00 C ATOM 25 CG PRO A -10 -0.806 -8.337 19.659 1.00 0.00 C ATOM 26 CD PRO A -10 -0.236 -7.374 20.698 1.00 0.00 C ATOM 0 HA PRO A -10 1.500 -7.322 18.135 1.00 0.00 H new ATOM 0 HB2 PRO A -10 -1.509 -6.833 18.251 1.00 0.00 H new ATOM 0 HB3 PRO A -10 -0.660 -8.166 17.494 1.00 0.00 H new ATOM 0 HG2 PRO A -10 -1.842 -8.602 19.872 1.00 0.00 H new ATOM 0 HG3 PRO A -10 -0.242 -9.269 19.612 1.00 0.00 H new ATOM 0 HD2 PRO A -10 -1.002 -6.689 21.061 1.00 0.00 H new ATOM 0 HD3 PRO A -10 0.146 -7.913 21.565 1.00 0.00 H new ATOM 34 N ARG A -9 0.991 -5.492 16.493 1.00 0.00 N ATOM 35 CA ARG A -9 1.139 -4.310 15.614 1.00 0.00 C ATOM 36 C ARG A -9 0.484 -4.475 14.237 1.00 0.00 C ATOM 37 O ARG A -9 0.264 -5.591 13.763 1.00 0.00 O ATOM 38 CB ARG A -9 2.630 -3.927 15.502 1.00 0.00 C ATOM 39 CG ARG A -9 3.505 -5.002 14.830 1.00 0.00 C ATOM 40 CD ARG A -9 4.969 -4.560 14.677 1.00 0.00 C ATOM 41 NE ARG A -9 5.631 -4.324 15.979 1.00 0.00 N ATOM 42 CZ ARG A -9 6.157 -5.227 16.791 1.00 0.00 C ATOM 43 NH1 ARG A -9 6.132 -6.503 16.528 1.00 0.00 N ATOM 44 NH2 ARG A -9 6.730 -4.855 17.899 1.00 0.00 N ATOM 0 H ARG A -9 1.169 -6.371 16.007 1.00 0.00 H new ATOM 0 HA ARG A -9 0.593 -3.491 16.083 1.00 0.00 H new ATOM 0 HB2 ARG A -9 2.715 -2.999 14.937 1.00 0.00 H new ATOM 0 HB3 ARG A -9 3.019 -3.728 16.501 1.00 0.00 H new ATOM 0 HG2 ARG A -9 3.465 -5.918 15.419 1.00 0.00 H new ATOM 0 HG3 ARG A -9 3.095 -5.237 13.848 1.00 0.00 H new ATOM 0 HD2 ARG A -9 5.519 -5.323 14.127 1.00 0.00 H new ATOM 0 HD3 ARG A -9 5.009 -3.647 14.083 1.00 0.00 H new ATOM 0 HE ARG A -9 5.689 -3.353 16.286 1.00 0.00 H new ATOM 0 HH11 ARG A -9 5.695 -6.838 15.669 1.00 0.00 H new ATOM 0 HH12 ARG A -9 6.549 -7.167 17.181 1.00 0.00 H new ATOM 0 HH21 ARG A -9 6.774 -3.866 18.143 1.00 0.00 H new ATOM 0 HH22 ARG A -9 7.135 -5.553 18.523 1.00 0.00 H new ATOM 58 N PHE A -8 0.217 -3.346 13.573 1.00 0.00 N ATOM 59 CA PHE A -8 -0.384 -3.271 12.233 1.00 0.00 C ATOM 60 C PHE A -8 0.223 -4.145 11.123 1.00 0.00 C ATOM 61 O PHE A -8 -0.491 -4.830 10.387 1.00 0.00 O ATOM 62 CB PHE A -8 -0.562 -1.800 11.812 1.00 0.00 C ATOM 63 CG PHE A -8 -0.716 -1.595 10.317 1.00 0.00 C ATOM 64 CD1 PHE A -8 -1.979 -1.741 9.716 1.00 0.00 C ATOM 65 CD2 PHE A -8 0.415 -1.337 9.515 1.00 0.00 C ATOM 66 CE1 PHE A -8 -2.107 -1.644 8.321 1.00 0.00 C ATOM 67 CE2 PHE A -8 0.288 -1.253 8.118 1.00 0.00 C ATOM 68 CZ PHE A -8 -0.974 -1.418 7.520 1.00 0.00 C ATOM 0 H PHE A -8 0.419 -2.426 13.965 1.00 0.00 H new ATOM 0 HA PHE A -8 -1.358 -3.746 12.352 1.00 0.00 H new ATOM 0 HB2 PHE A -8 -1.439 -1.393 12.315 1.00 0.00 H new ATOM 0 HB3 PHE A -8 0.298 -1.228 12.159 1.00 0.00 H new ATOM 0 HD1 PHE A -8 -2.850 -1.928 10.327 1.00 0.00 H new ATOM 0 HD2 PHE A -8 1.382 -1.203 9.976 1.00 0.00 H new ATOM 0 HE1 PHE A -8 -3.079 -1.743 7.862 1.00 0.00 H new ATOM 0 HE2 PHE A -8 1.157 -1.062 7.506 1.00 0.00 H new ATOM 0 HZ PHE A -8 -1.073 -1.371 6.446 1.00 0.00 H new ATOM 78 N TRP A -7 1.557 -4.145 11.038 1.00 0.00 N ATOM 79 CA TRP A -7 2.327 -4.825 9.987 1.00 0.00 C ATOM 80 C TRP A -7 2.077 -6.340 9.881 1.00 0.00 C ATOM 81 O TRP A -7 2.227 -6.916 8.807 1.00 0.00 O ATOM 82 CB TRP A -7 3.809 -4.465 10.170 1.00 0.00 C ATOM 83 CG TRP A -7 4.812 -5.218 9.348 1.00 0.00 C ATOM 84 CD1 TRP A -7 5.410 -6.373 9.726 1.00 0.00 C ATOM 85 CD2 TRP A -7 5.166 -5.038 7.938 1.00 0.00 C ATOM 86 NE1 TRP A -7 6.195 -6.853 8.697 1.00 0.00 N ATOM 87 CE2 TRP A -7 6.071 -6.081 7.564 1.00 0.00 C ATOM 88 CE3 TRP A -7 4.837 -4.092 6.940 1.00 0.00 C ATOM 89 CZ2 TRP A -7 6.628 -6.172 6.280 1.00 0.00 C ATOM 90 CZ3 TRP A -7 5.388 -4.183 5.645 1.00 0.00 C ATOM 91 CH2 TRP A -7 6.278 -5.216 5.315 1.00 0.00 C ATOM 0 H TRP A -7 2.148 -3.661 11.714 1.00 0.00 H new ATOM 0 HA TRP A -7 1.976 -4.462 9.021 1.00 0.00 H new ATOM 0 HB2 TRP A -7 3.926 -3.403 9.954 1.00 0.00 H new ATOM 0 HB3 TRP A -7 4.062 -4.606 11.221 1.00 0.00 H new ATOM 0 HD1 TRP A -7 5.290 -6.848 10.689 1.00 0.00 H new ATOM 0 HE1 TRP A -7 6.792 -7.677 8.767 1.00 0.00 H new ATOM 0 HE3 TRP A -7 4.154 -3.288 7.173 1.00 0.00 H new ATOM 0 HZ2 TRP A -7 7.317 -6.967 6.038 1.00 0.00 H new ATOM 0 HZ3 TRP A -7 5.122 -3.449 4.899 1.00 0.00 H new ATOM 0 HH2 TRP A -7 6.693 -5.275 4.320 1.00 0.00 H new ATOM 102 N GLU A -6 1.606 -6.983 10.954 1.00 0.00 N ATOM 103 CA GLU A -6 1.238 -8.408 10.968 1.00 0.00 C ATOM 104 C GLU A -6 0.106 -8.743 9.977 1.00 0.00 C ATOM 105 O GLU A -6 0.149 -9.784 9.317 1.00 0.00 O ATOM 106 CB GLU A -6 0.808 -8.817 12.387 1.00 0.00 C ATOM 107 CG GLU A -6 1.908 -8.605 13.440 1.00 0.00 C ATOM 108 CD GLU A -6 1.408 -8.857 14.875 1.00 0.00 C ATOM 109 OE1 GLU A -6 0.539 -9.735 15.097 1.00 0.00 O ATOM 110 OE2 GLU A -6 1.911 -8.176 15.800 1.00 0.00 O ATOM 0 H GLU A -6 1.466 -6.523 11.854 1.00 0.00 H new ATOM 0 HA GLU A -6 2.120 -8.968 10.656 1.00 0.00 H new ATOM 0 HB2 GLU A -6 -0.074 -8.243 12.672 1.00 0.00 H new ATOM 0 HB3 GLU A -6 0.516 -9.867 12.382 1.00 0.00 H new ATOM 0 HG2 GLU A -6 2.743 -9.272 13.227 1.00 0.00 H new ATOM 0 HG3 GLU A -6 2.287 -7.586 13.365 1.00 0.00 H new ATOM 117 N TYR A -5 -0.878 -7.846 9.819 1.00 0.00 N ATOM 118 CA TYR A -5 -1.888 -7.940 8.759 1.00 0.00 C ATOM 119 C TYR A -5 -1.377 -7.731 7.334 1.00 0.00 C ATOM 120 O TYR A -5 -1.743 -8.459 6.410 1.00 0.00 O ATOM 121 CB TYR A -5 -3.104 -7.050 9.047 1.00 0.00 C ATOM 122 CG TYR A -5 -4.100 -7.622 10.033 1.00 0.00 C ATOM 123 CD1 TYR A -5 -3.944 -7.387 11.411 1.00 0.00 C ATOM 124 CD2 TYR A -5 -5.195 -8.374 9.564 1.00 0.00 C ATOM 125 CE1 TYR A -5 -4.889 -7.891 12.327 1.00 0.00 C ATOM 126 CE2 TYR A -5 -6.137 -8.885 10.475 1.00 0.00 C ATOM 127 CZ TYR A -5 -5.993 -8.638 11.858 1.00 0.00 C ATOM 128 OH TYR A -5 -6.922 -9.122 12.728 1.00 0.00 O ATOM 0 H TYR A -5 -0.995 -7.034 10.425 1.00 0.00 H new ATOM 0 HA TYR A -5 -2.196 -8.985 8.789 1.00 0.00 H new ATOM 0 HB2 TYR A -5 -2.751 -6.091 9.426 1.00 0.00 H new ATOM 0 HB3 TYR A -5 -3.620 -6.851 8.108 1.00 0.00 H new ATOM 0 HD1 TYR A -5 -3.098 -6.819 11.768 1.00 0.00 H new ATOM 0 HD2 TYR A -5 -5.311 -8.558 8.506 1.00 0.00 H new ATOM 0 HE1 TYR A -5 -4.770 -7.707 13.384 1.00 0.00 H new ATOM 0 HE2 TYR A -5 -6.972 -9.468 10.116 1.00 0.00 H new ATOM 0 HH TYR A -5 -6.985 -8.526 13.504 1.00 0.00 H new ATOM 138 N TRP A -4 -0.500 -6.741 7.161 1.00 0.00 N ATOM 139 CA TRP A -4 0.071 -6.395 5.861 1.00 0.00 C ATOM 140 C TRP A -4 1.033 -7.485 5.363 1.00 0.00 C ATOM 141 O TRP A -4 1.028 -7.820 4.181 1.00 0.00 O ATOM 142 CB TRP A -4 0.779 -5.044 5.977 1.00 0.00 C ATOM 143 CG TRP A -4 1.114 -4.475 4.642 1.00 0.00 C ATOM 144 CD1 TRP A -4 2.193 -4.822 3.907 1.00 0.00 C ATOM 145 CD2 TRP A -4 0.227 -3.757 3.729 1.00 0.00 C ATOM 146 NE1 TRP A -4 2.075 -4.290 2.642 1.00 0.00 N ATOM 147 CE2 TRP A -4 0.873 -3.647 2.463 1.00 0.00 C ATOM 148 CE3 TRP A -4 -1.069 -3.206 3.836 1.00 0.00 C ATOM 149 CZ2 TRP A -4 0.282 -3.011 1.365 1.00 0.00 C ATOM 150 CZ3 TRP A -4 -1.680 -2.577 2.736 1.00 0.00 C ATOM 151 CH2 TRP A -4 -1.008 -2.472 1.505 1.00 0.00 C ATOM 0 H TRP A -4 -0.165 -6.154 7.925 1.00 0.00 H new ATOM 0 HA TRP A -4 -0.730 -6.323 5.125 1.00 0.00 H new ATOM 0 HB2 TRP A -4 0.142 -4.346 6.519 1.00 0.00 H new ATOM 0 HB3 TRP A -4 1.692 -5.162 6.561 1.00 0.00 H new ATOM 0 HD1 TRP A -4 3.019 -5.423 4.257 1.00 0.00 H new ATOM 0 HE1 TRP A -4 2.795 -4.364 1.923 1.00 0.00 H new ATOM 0 HE3 TRP A -4 -1.598 -3.268 4.775 1.00 0.00 H new ATOM 0 HZ2 TRP A -4 0.809 -2.936 0.425 1.00 0.00 H new ATOM 0 HZ3 TRP A -4 -2.675 -2.171 2.838 1.00 0.00 H new ATOM 0 HH2 TRP A -4 -1.482 -1.978 0.670 1.00 0.00 H new ATOM 162 N LEU A -3 1.799 -8.122 6.252 1.00 0.00 N ATOM 163 CA LEU A -3 2.671 -9.245 5.901 1.00 0.00 C ATOM 164 C LEU A -3 1.885 -10.442 5.323 1.00 0.00 C ATOM 165 O LEU A -3 2.387 -11.161 4.457 1.00 0.00 O ATOM 166 CB LEU A -3 3.489 -9.626 7.149 1.00 0.00 C ATOM 167 CG LEU A -3 4.642 -10.606 6.866 1.00 0.00 C ATOM 168 CD1 LEU A -3 5.789 -9.916 6.124 1.00 0.00 C ATOM 169 CD2 LEU A -3 5.195 -11.154 8.183 1.00 0.00 C ATOM 0 H LEU A -3 1.832 -7.872 7.240 1.00 0.00 H new ATOM 0 HA LEU A -3 3.349 -8.943 5.102 1.00 0.00 H new ATOM 0 HB2 LEU A -3 3.898 -8.719 7.594 1.00 0.00 H new ATOM 0 HB3 LEU A -3 2.821 -10.070 7.887 1.00 0.00 H new ATOM 0 HG LEU A -3 4.243 -11.410 6.248 1.00 0.00 H new ATOM 0 HD11 LEU A -3 6.587 -10.635 5.939 1.00 0.00 H new ATOM 0 HD12 LEU A -3 5.425 -9.526 5.174 1.00 0.00 H new ATOM 0 HD13 LEU A -3 6.173 -9.095 6.730 1.00 0.00 H new ATOM 0 HD21 LEU A -3 6.010 -11.847 7.975 1.00 0.00 H new ATOM 0 HD22 LEU A -3 5.565 -10.330 8.793 1.00 0.00 H new ATOM 0 HD23 LEU A -3 4.404 -11.676 8.721 1.00 0.00 H new ATOM 181 N ARG A -2 0.622 -10.623 5.737 1.00 0.00 N ATOM 182 CA ARG A -2 -0.261 -11.680 5.233 1.00 0.00 C ATOM 183 C ARG A -2 -0.753 -11.417 3.802 1.00 0.00 C ATOM 184 O ARG A -2 -1.115 -12.372 3.124 1.00 0.00 O ATOM 185 CB ARG A -2 -1.392 -11.909 6.250 1.00 0.00 C ATOM 186 CG ARG A -2 -2.234 -13.173 6.013 1.00 0.00 C ATOM 187 CD ARG A -2 -1.397 -14.463 6.056 1.00 0.00 C ATOM 188 NE ARG A -2 -2.228 -15.681 6.139 1.00 0.00 N ATOM 189 CZ ARG A -2 -2.739 -16.227 7.227 1.00 0.00 C ATOM 190 NH1 ARG A -2 -2.649 -15.667 8.402 1.00 0.00 N ATOM 191 NH2 ARG A -2 -3.356 -17.369 7.160 1.00 0.00 N ATOM 0 H ARG A -2 0.181 -10.030 6.441 1.00 0.00 H new ATOM 0 HA ARG A -2 0.305 -12.607 5.142 1.00 0.00 H new ATOM 0 HB2 ARG A -2 -0.957 -11.962 7.248 1.00 0.00 H new ATOM 0 HB3 ARG A -2 -2.053 -11.043 6.236 1.00 0.00 H new ATOM 0 HG2 ARG A -2 -3.018 -13.229 6.768 1.00 0.00 H new ATOM 0 HG3 ARG A -2 -2.729 -13.098 5.045 1.00 0.00 H new ATOM 0 HD2 ARG A -2 -0.772 -14.515 5.165 1.00 0.00 H new ATOM 0 HD3 ARG A -2 -0.726 -14.427 6.914 1.00 0.00 H new ATOM 0 HE ARG A -2 -2.430 -16.153 5.258 1.00 0.00 H new ATOM 0 HH11 ARG A -2 -2.169 -14.773 8.505 1.00 0.00 H new ATOM 0 HH12 ARG A -2 -3.058 -16.123 9.217 1.00 0.00 H new ATOM 0 HH21 ARG A -2 -3.447 -17.848 6.264 1.00 0.00 H new ATOM 0 HH22 ARG A -2 -3.749 -17.787 8.004 1.00 0.00 H new ATOM 205 N LEU A -1 -0.683 -10.181 3.293 1.00 0.00 N ATOM 206 CA LEU A -1 -0.896 -9.914 1.862 1.00 0.00 C ATOM 207 C LEU A -1 0.221 -10.550 1.025 1.00 0.00 C ATOM 208 O LEU A -1 -0.053 -11.237 0.042 1.00 0.00 O ATOM 209 CB LEU A -1 -0.899 -8.403 1.573 1.00 0.00 C ATOM 210 CG LEU A -1 -2.153 -7.644 2.010 1.00 0.00 C ATOM 211 CD1 LEU A -1 -1.853 -6.155 1.921 1.00 0.00 C ATOM 212 CD2 LEU A -1 -3.337 -7.936 1.088 1.00 0.00 C ATOM 0 H LEU A -1 -0.481 -9.350 3.849 1.00 0.00 H new ATOM 0 HA LEU A -1 -1.863 -10.342 1.597 1.00 0.00 H new ATOM 0 HB2 LEU A -1 -0.036 -7.956 2.067 1.00 0.00 H new ATOM 0 HB3 LEU A -1 -0.764 -8.257 0.501 1.00 0.00 H new ATOM 0 HG LEU A -1 -2.412 -7.955 3.022 1.00 0.00 H new ATOM 0 HD11 LEU A -1 -2.732 -5.588 2.228 1.00 0.00 H new ATOM 0 HD12 LEU A -1 -1.017 -5.912 2.577 1.00 0.00 H new ATOM 0 HD13 LEU A -1 -1.595 -5.897 0.894 1.00 0.00 H new ATOM 0 HD21 LEU A -1 -4.210 -7.380 1.429 1.00 0.00 H new ATOM 0 HD22 LEU A -1 -3.089 -7.634 0.071 1.00 0.00 H new ATOM 0 HD23 LEU A -1 -3.557 -9.003 1.106 1.00 0.00 H new ATOM 224 N MET A 0 1.481 -10.315 1.407 1.00 0.00 N ATOM 225 CA MET A 0 2.629 -10.734 0.601 1.00 0.00 C ATOM 226 C MET A 0 2.937 -12.238 0.745 1.00 0.00 C ATOM 227 O MET A 0 3.362 -12.864 -0.225 1.00 0.00 O ATOM 228 CB MET A 0 3.841 -9.835 0.904 1.00 0.00 C ATOM 229 CG MET A 0 4.497 -10.057 2.271 1.00 0.00 C ATOM 230 SD MET A 0 6.162 -9.361 2.443 1.00 0.00 S ATOM 231 CE MET A 0 5.759 -7.609 2.314 1.00 0.00 C ATOM 0 H MET A 0 1.730 -9.835 2.272 1.00 0.00 H new ATOM 0 HA MET A 0 2.375 -10.603 -0.451 1.00 0.00 H new ATOM 0 HB2 MET A 0 4.592 -9.992 0.130 1.00 0.00 H new ATOM 0 HB3 MET A 0 3.526 -8.794 0.836 1.00 0.00 H new ATOM 0 HG2 MET A 0 3.857 -9.623 3.039 1.00 0.00 H new ATOM 0 HG3 MET A 0 4.546 -11.129 2.464 1.00 0.00 H new ATOM 0 HE1 MET A 0 6.569 -7.017 2.741 1.00 0.00 H new ATOM 0 HE2 MET A 0 5.628 -7.342 1.265 1.00 0.00 H new ATOM 0 HE3 MET A 0 4.836 -7.407 2.858 1.00 0.00 H new ATOM 241 N GLU A 1 2.709 -12.835 1.922 1.00 0.00 N ATOM 242 CA GLU A 1 2.906 -14.277 2.164 1.00 0.00 C ATOM 243 C GLU A 1 1.651 -15.132 1.894 1.00 0.00 C ATOM 244 O GLU A 1 1.769 -16.306 1.536 1.00 0.00 O ATOM 245 CB GLU A 1 3.408 -14.505 3.605 1.00 0.00 C ATOM 246 CG GLU A 1 4.807 -13.923 3.886 1.00 0.00 C ATOM 247 CD GLU A 1 5.930 -14.485 2.985 1.00 0.00 C ATOM 248 OE1 GLU A 1 5.815 -15.618 2.459 1.00 0.00 O ATOM 249 OE2 GLU A 1 6.957 -13.788 2.794 1.00 0.00 O ATOM 0 H GLU A 1 2.379 -12.329 2.744 1.00 0.00 H new ATOM 0 HA GLU A 1 3.656 -14.609 1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.696 -14.061 4.300 1.00 0.00 H new ATOM 0 HB3 GLU A 1 3.425 -15.576 3.807 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.767 -12.841 3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 1 5.064 -14.116 4.928 1.00 0.00 H new ATOM 256 N GLY A 2 0.451 -14.557 2.032 1.00 0.00 N ATOM 257 CA GLY A 2 -0.842 -15.220 1.800 1.00 0.00 C ATOM 258 C GLY A 2 -1.358 -15.147 0.356 1.00 0.00 C ATOM 259 O GLY A 2 -2.474 -15.594 0.083 1.00 0.00 O ATOM 0 H GLY A 2 0.347 -13.583 2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -0.752 -16.268 2.085 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.586 -14.773 2.459 1.00 0.00 H new ATOM 263 N GLY A 3 -0.571 -14.608 -0.583 1.00 0.00 N ATOM 264 CA GLY A 3 -0.925 -14.555 -2.004 1.00 0.00 C ATOM 265 C GLY A 3 -1.162 -15.959 -2.578 1.00 0.00 C ATOM 266 O GLY A 3 -0.247 -16.786 -2.613 1.00 0.00 O ATOM 0 H GLY A 3 0.337 -14.193 -0.375 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.823 -13.951 -2.134 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -0.127 -14.063 -2.561 1.00 0.00 H new ATOM 270 N GLY A 4 -2.398 -16.237 -3.005 1.00 0.00 N ATOM 271 CA GLY A 4 -2.820 -17.556 -3.495 1.00 0.00 C ATOM 272 C GLY A 4 -3.112 -18.609 -2.410 1.00 0.00 C ATOM 273 O GLY A 4 -3.241 -19.786 -2.742 1.00 0.00 O ATOM 0 H GLY A 4 -3.145 -15.543 -3.021 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.716 -17.428 -4.102 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.043 -17.945 -4.153 1.00 0.00 H new ATOM 277 N GLU A 5 -3.208 -18.225 -1.129 1.00 0.00 N ATOM 278 CA GLU A 5 -3.494 -19.138 -0.005 1.00 0.00 C ATOM 279 C GLU A 5 -4.932 -19.701 -0.072 1.00 0.00 C ATOM 280 O GLU A 5 -5.124 -20.873 -0.403 1.00 0.00 O ATOM 281 CB GLU A 5 -3.176 -18.421 1.324 1.00 0.00 C ATOM 282 CG GLU A 5 -3.401 -19.282 2.574 1.00 0.00 C ATOM 283 CD GLU A 5 -3.165 -18.525 3.898 1.00 0.00 C ATOM 284 OE1 GLU A 5 -2.682 -17.367 3.911 1.00 0.00 O ATOM 285 OE2 GLU A 5 -3.476 -19.088 4.974 1.00 0.00 O ATOM 0 H GLU A 5 -3.088 -17.255 -0.836 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.848 -20.013 -0.074 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.137 -18.091 1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.793 -17.526 1.397 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.421 -19.665 2.562 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.736 -20.145 2.535 1.00 0.00 H new ATOM 292 N ASN A 6 -5.938 -18.872 0.232 1.00 0.00 N ATOM 293 CA ASN A 6 -7.372 -19.121 0.014 1.00 0.00 C ATOM 294 C ASN A 6 -8.206 -17.844 0.249 1.00 0.00 C ATOM 295 O ASN A 6 -7.955 -17.096 1.195 1.00 0.00 O ATOM 296 CB ASN A 6 -7.917 -20.296 0.854 1.00 0.00 C ATOM 297 CG ASN A 6 -7.468 -20.322 2.307 1.00 0.00 C ATOM 298 OD1 ASN A 6 -7.926 -19.560 3.148 1.00 0.00 O ATOM 299 ND2 ASN A 6 -6.617 -21.254 2.673 1.00 0.00 N ATOM 0 H ASN A 6 -5.767 -17.962 0.659 1.00 0.00 H new ATOM 0 HA ASN A 6 -7.472 -19.413 -1.031 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -9.006 -20.264 0.828 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -7.614 -21.230 0.381 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -6.343 -21.338 3.652 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -6.231 -21.893 1.978 1.00 0.00 H new ATOM 306 N LEU A 7 -9.207 -17.610 -0.607 1.00 0.00 N ATOM 307 CA LEU A 7 -10.148 -16.477 -0.576 1.00 0.00 C ATOM 308 C LEU A 7 -11.538 -16.915 -1.096 1.00 0.00 C ATOM 309 O LEU A 7 -12.217 -16.186 -1.825 1.00 0.00 O ATOM 310 CB LEU A 7 -9.562 -15.278 -1.360 1.00 0.00 C ATOM 311 CG LEU A 7 -8.429 -14.492 -0.674 1.00 0.00 C ATOM 312 CD1 LEU A 7 -7.924 -13.411 -1.630 1.00 0.00 C ATOM 313 CD2 LEU A 7 -8.897 -13.811 0.618 1.00 0.00 C ATOM 0 H LEU A 7 -9.396 -18.241 -1.386 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.290 -16.146 0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.191 -15.645 -2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.374 -14.584 -1.578 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.642 -15.202 -0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.121 -12.849 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.549 -13.877 -2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.742 -12.735 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.064 -13.269 1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.703 -13.114 0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.257 -14.566 1.317 1.00 0.00 H new ATOM 325 N TYR A 8 -11.970 -18.124 -0.720 1.00 0.00 N ATOM 326 CA TYR A 8 -13.202 -18.765 -1.203 1.00 0.00 C ATOM 327 C TYR A 8 -14.535 -18.023 -1.015 1.00 0.00 C ATOM 328 O TYR A 8 -15.515 -18.321 -1.698 1.00 0.00 O ATOM 329 CB TYR A 8 -13.274 -20.243 -0.783 1.00 0.00 C ATOM 330 CG TYR A 8 -12.860 -20.520 0.653 1.00 0.00 C ATOM 331 CD1 TYR A 8 -13.662 -20.063 1.718 1.00 0.00 C ATOM 332 CD2 TYR A 8 -11.674 -21.232 0.924 1.00 0.00 C ATOM 333 CE1 TYR A 8 -13.275 -20.307 3.049 1.00 0.00 C ATOM 334 CE2 TYR A 8 -11.286 -21.481 2.256 1.00 0.00 C ATOM 335 CZ TYR A 8 -12.085 -21.016 3.323 1.00 0.00 C ATOM 336 OH TYR A 8 -11.724 -21.252 4.615 1.00 0.00 O ATOM 0 H TYR A 8 -11.459 -18.701 -0.052 1.00 0.00 H new ATOM 0 HA TYR A 8 -13.088 -18.702 -2.285 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -14.295 -20.597 -0.926 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -12.638 -20.826 -1.448 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.575 -19.525 1.512 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.061 -21.588 0.109 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -13.890 -19.951 3.863 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -10.377 -22.028 2.460 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.882 -21.752 4.633 1.00 0.00 H new ATOM 346 N PHE A 9 -14.567 -17.006 -0.147 1.00 0.00 N ATOM 347 CA PHE A 9 -15.694 -16.079 -0.008 1.00 0.00 C ATOM 348 C PHE A 9 -16.069 -15.248 -1.251 1.00 0.00 C ATOM 349 O PHE A 9 -17.221 -14.838 -1.400 1.00 0.00 O ATOM 350 CB PHE A 9 -15.530 -15.229 1.261 1.00 0.00 C ATOM 351 CG PHE A 9 -15.774 -16.000 2.546 1.00 0.00 C ATOM 352 CD1 PHE A 9 -17.090 -16.281 2.964 1.00 0.00 C ATOM 353 CD2 PHE A 9 -14.686 -16.456 3.317 1.00 0.00 C ATOM 354 CE1 PHE A 9 -17.315 -17.012 4.144 1.00 0.00 C ATOM 355 CE2 PHE A 9 -14.913 -17.185 4.498 1.00 0.00 C ATOM 356 CZ PHE A 9 -16.227 -17.465 4.912 1.00 0.00 C ATOM 0 H PHE A 9 -13.797 -16.801 0.489 1.00 0.00 H new ATOM 0 HA PHE A 9 -16.571 -16.717 0.096 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -14.522 -14.814 1.282 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -16.221 -14.387 1.216 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -17.928 -15.934 2.377 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -13.675 -16.245 3.000 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -18.325 -17.226 4.461 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -14.077 -17.530 5.088 1.00 0.00 H new ATOM 0 HZ PHE A 9 -16.401 -18.027 5.818 1.00 0.00 H new ATOM 366 N GLN A 10 -15.111 -15.047 -2.167 1.00 0.00 N ATOM 367 CA GLN A 10 -15.326 -14.460 -3.503 1.00 0.00 C ATOM 368 C GLN A 10 -15.545 -15.542 -4.596 1.00 0.00 C ATOM 369 O GLN A 10 -15.660 -15.234 -5.785 1.00 0.00 O ATOM 370 CB GLN A 10 -14.148 -13.504 -3.797 1.00 0.00 C ATOM 371 CG GLN A 10 -14.336 -12.541 -4.987 1.00 0.00 C ATOM 372 CD GLN A 10 -15.539 -11.610 -4.834 1.00 0.00 C ATOM 373 OE1 GLN A 10 -16.661 -11.916 -5.216 1.00 0.00 O ATOM 374 NE2 GLN A 10 -15.394 -10.507 -4.128 1.00 0.00 N ATOM 0 H GLN A 10 -14.136 -15.294 -1.997 1.00 0.00 H new ATOM 0 HA GLN A 10 -16.252 -13.885 -3.517 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -13.956 -12.911 -2.903 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.256 -14.104 -3.979 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.434 -11.940 -5.104 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -14.451 -13.124 -5.901 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.469 -10.230 -3.798 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -16.206 -9.930 -3.911 1.00 0.00 H new ATOM 383 N GLY A 11 -15.614 -16.823 -4.212 1.00 0.00 N ATOM 384 CA GLY A 11 -15.676 -17.976 -5.120 1.00 0.00 C ATOM 385 C GLY A 11 -14.328 -18.339 -5.758 1.00 0.00 C ATOM 386 O GLY A 11 -13.289 -17.757 -5.440 1.00 0.00 O ATOM 0 H GLY A 11 -15.629 -17.094 -3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -16.051 -18.839 -4.570 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -16.396 -17.765 -5.911 1.00 0.00 H new ATOM 390 N MET A 12 -14.355 -19.332 -6.658 1.00 0.00 N ATOM 391 CA MET A 12 -13.237 -19.806 -7.503 1.00 0.00 C ATOM 392 C MET A 12 -11.906 -20.094 -6.766 1.00 0.00 C ATOM 393 O MET A 12 -10.827 -19.984 -7.350 1.00 0.00 O ATOM 394 CB MET A 12 -13.091 -18.927 -8.765 1.00 0.00 C ATOM 395 CG MET A 12 -12.686 -17.468 -8.507 1.00 0.00 C ATOM 396 SD MET A 12 -12.332 -16.497 -10.001 1.00 0.00 S ATOM 397 CE MET A 12 -14.001 -16.327 -10.691 1.00 0.00 C ATOM 0 H MET A 12 -15.209 -19.862 -6.830 1.00 0.00 H new ATOM 0 HA MET A 12 -13.519 -20.807 -7.831 1.00 0.00 H new ATOM 0 HB2 MET A 12 -12.349 -19.382 -9.420 1.00 0.00 H new ATOM 0 HB3 MET A 12 -14.039 -18.934 -9.304 1.00 0.00 H new ATOM 0 HG2 MET A 12 -13.486 -16.977 -7.953 1.00 0.00 H new ATOM 0 HG3 MET A 12 -11.803 -17.459 -7.868 1.00 0.00 H new ATOM 0 HE1 MET A 12 -13.963 -15.707 -11.587 1.00 0.00 H new ATOM 0 HE2 MET A 12 -14.391 -17.312 -10.947 1.00 0.00 H new ATOM 0 HE3 MET A 12 -14.654 -15.859 -9.954 1.00 0.00 H new ATOM 407 N SER A 13 -11.977 -20.476 -5.484 1.00 0.00 N ATOM 408 CA SER A 13 -10.872 -20.655 -4.514 1.00 0.00 C ATOM 409 C SER A 13 -10.094 -19.389 -4.139 1.00 0.00 C ATOM 410 O SER A 13 -9.953 -19.056 -2.961 1.00 0.00 O ATOM 411 CB SER A 13 -9.951 -21.811 -4.931 1.00 0.00 C ATOM 412 OG SER A 13 -8.969 -22.058 -3.938 1.00 0.00 O ATOM 0 H SER A 13 -12.879 -20.687 -5.057 1.00 0.00 H new ATOM 0 HA SER A 13 -11.367 -20.921 -3.580 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.543 -22.712 -5.095 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.465 -21.572 -5.877 1.00 0.00 H new ATOM 0 HG SER A 13 -8.394 -22.799 -4.223 1.00 0.00 H new ATOM 418 N VAL A 14 -9.638 -18.663 -5.150 1.00 0.00 N ATOM 419 CA VAL A 14 -8.959 -17.354 -5.094 1.00 0.00 C ATOM 420 C VAL A 14 -9.338 -16.511 -6.328 1.00 0.00 C ATOM 421 O VAL A 14 -9.197 -17.003 -7.451 1.00 0.00 O ATOM 422 CB VAL A 14 -7.422 -17.496 -4.999 1.00 0.00 C ATOM 423 CG1 VAL A 14 -6.716 -16.140 -4.853 1.00 0.00 C ATOM 424 CG2 VAL A 14 -6.955 -18.364 -3.823 1.00 0.00 C ATOM 0 H VAL A 14 -9.736 -18.990 -6.111 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.295 -16.850 -4.188 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.152 -17.977 -5.939 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.639 -16.295 -4.790 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.943 -15.517 -5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.064 -15.644 -3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.866 -18.418 -3.820 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.299 -17.924 -2.887 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.368 -19.368 -3.925 1.00 0.00 H new ATOM 434 N PRO A 15 -9.793 -15.250 -6.169 1.00 0.00 N ATOM 435 CA PRO A 15 -10.233 -14.403 -7.282 1.00 0.00 C ATOM 436 C PRO A 15 -9.078 -13.818 -8.118 1.00 0.00 C ATOM 437 O PRO A 15 -9.250 -13.544 -9.308 1.00 0.00 O ATOM 438 CB PRO A 15 -11.048 -13.292 -6.615 1.00 0.00 C ATOM 439 CG PRO A 15 -10.383 -13.129 -5.248 1.00 0.00 C ATOM 440 CD PRO A 15 -9.985 -14.562 -4.901 1.00 0.00 C ATOM 0 HA PRO A 15 -10.805 -14.987 -8.003 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -11.012 -12.367 -7.191 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -12.098 -13.567 -6.520 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -9.518 -12.467 -5.294 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -11.067 -12.708 -4.511 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -9.071 -14.579 -4.307 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -10.760 -15.048 -4.308 1.00 0.00 H new ATOM 448 N THR A 16 -7.909 -13.602 -7.508 1.00 0.00 N ATOM 449 CA THR A 16 -6.741 -12.938 -8.113 1.00 0.00 C ATOM 450 C THR A 16 -6.073 -13.642 -9.299 1.00 0.00 C ATOM 451 O THR A 16 -5.729 -14.821 -9.208 1.00 0.00 O ATOM 452 CB THR A 16 -5.690 -12.530 -7.063 1.00 0.00 C ATOM 453 OG1 THR A 16 -6.279 -12.334 -5.790 1.00 0.00 O ATOM 454 CG2 THR A 16 -4.951 -11.250 -7.450 1.00 0.00 C ATOM 0 H THR A 16 -7.740 -13.893 -6.545 1.00 0.00 H new ATOM 0 HA THR A 16 -7.190 -12.047 -8.552 1.00 0.00 H new ATOM 0 HB THR A 16 -4.978 -13.354 -7.021 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.587 -12.078 -5.145 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.221 -11.004 -6.679 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.438 -11.399 -8.400 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.666 -10.433 -7.547 1.00 0.00 H new ATOM 462 N ASP A 17 -5.818 -12.917 -10.393 1.00 0.00 N ATOM 463 CA ASP A 17 -5.081 -13.406 -11.570 1.00 0.00 C ATOM 464 C ASP A 17 -3.545 -13.356 -11.364 1.00 0.00 C ATOM 465 O ASP A 17 -2.812 -12.657 -12.071 1.00 0.00 O ATOM 466 CB ASP A 17 -5.574 -12.670 -12.830 1.00 0.00 C ATOM 467 CG ASP A 17 -4.892 -13.126 -14.135 1.00 0.00 C ATOM 468 OD1 ASP A 17 -4.458 -14.301 -14.231 1.00 0.00 O ATOM 469 OD2 ASP A 17 -4.858 -12.328 -15.103 1.00 0.00 O ATOM 0 H ASP A 17 -6.125 -11.949 -10.490 1.00 0.00 H new ATOM 0 HA ASP A 17 -5.295 -14.465 -11.714 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.650 -12.816 -12.925 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.408 -11.600 -12.701 1.00 0.00 H new ATOM 474 N GLY A 18 -3.063 -14.032 -10.314 1.00 0.00 N ATOM 475 CA GLY A 18 -1.657 -14.017 -9.890 1.00 0.00 C ATOM 476 C GLY A 18 -1.133 -12.604 -9.589 1.00 0.00 C ATOM 477 O GLY A 18 -1.842 -11.770 -9.019 1.00 0.00 O ATOM 0 H GLY A 18 -3.652 -14.618 -9.722 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.545 -14.637 -9.000 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.044 -14.467 -10.671 1.00 0.00 H new ATOM 481 N ALA A 19 0.104 -12.319 -10.005 1.00 0.00 N ATOM 482 CA ALA A 19 0.716 -10.985 -9.932 1.00 0.00 C ATOM 483 C ALA A 19 0.266 -10.016 -11.057 1.00 0.00 C ATOM 484 O ALA A 19 0.802 -8.913 -11.161 1.00 0.00 O ATOM 485 CB ALA A 19 2.241 -11.165 -9.905 1.00 0.00 C ATOM 0 H ALA A 19 0.722 -13.022 -10.410 1.00 0.00 H new ATOM 0 HA ALA A 19 0.370 -10.502 -9.018 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.722 -10.188 -9.851 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.522 -11.757 -9.034 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.563 -11.678 -10.811 1.00 0.00 H new ATOM 491 N VAL A 20 -0.672 -10.426 -11.923 1.00 0.00 N ATOM 492 CA VAL A 20 -1.234 -9.692 -13.081 1.00 0.00 C ATOM 493 C VAL A 20 -0.287 -9.269 -14.224 1.00 0.00 C ATOM 494 O VAL A 20 -0.745 -8.831 -15.282 1.00 0.00 O ATOM 495 CB VAL A 20 -2.273 -8.624 -12.648 1.00 0.00 C ATOM 496 CG1 VAL A 20 -1.707 -7.201 -12.550 1.00 0.00 C ATOM 497 CG2 VAL A 20 -3.483 -8.581 -13.590 1.00 0.00 C ATOM 0 H VAL A 20 -1.094 -11.350 -11.831 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.774 -10.473 -13.616 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.573 -8.945 -11.651 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.497 -6.516 -12.242 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.901 -7.180 -11.816 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.320 -6.895 -13.522 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.184 -7.819 -13.248 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.150 -8.340 -14.600 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.977 -9.553 -13.593 1.00 0.00 H new ATOM 507 N THR A 21 1.029 -9.432 -14.060 1.00 0.00 N ATOM 508 CA THR A 21 2.045 -9.110 -15.083 1.00 0.00 C ATOM 509 C THR A 21 1.985 -9.918 -16.388 1.00 0.00 C ATOM 510 O THR A 21 1.515 -11.060 -16.418 1.00 0.00 O ATOM 511 CB THR A 21 3.488 -8.999 -14.541 1.00 0.00 C ATOM 512 OG1 THR A 21 4.187 -10.209 -14.730 1.00 0.00 O ATOM 513 CG2 THR A 21 3.602 -8.652 -13.056 1.00 0.00 C ATOM 0 H THR A 21 1.432 -9.798 -13.198 1.00 0.00 H new ATOM 0 HA THR A 21 1.736 -8.106 -15.372 1.00 0.00 H new ATOM 0 HB THR A 21 3.915 -8.174 -15.112 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.099 -10.118 -14.382 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.654 -8.598 -12.775 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.126 -7.689 -12.870 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.107 -9.422 -12.464 1.00 0.00 H new ATOM 521 N THR A 22 2.494 -9.337 -17.478 1.00 0.00 N ATOM 522 CA THR A 22 2.564 -9.942 -18.825 1.00 0.00 C ATOM 523 C THR A 22 3.613 -11.045 -19.057 1.00 0.00 C ATOM 524 O THR A 22 3.943 -11.369 -20.200 1.00 0.00 O ATOM 525 CB THR A 22 2.528 -8.889 -19.961 1.00 0.00 C ATOM 526 OG1 THR A 22 2.008 -7.649 -19.513 1.00 0.00 O ATOM 527 CG2 THR A 22 1.667 -9.326 -21.151 1.00 0.00 C ATOM 0 H THR A 22 2.886 -8.396 -17.453 1.00 0.00 H new ATOM 0 HA THR A 22 1.634 -10.509 -18.867 1.00 0.00 H new ATOM 0 HB THR A 22 3.567 -8.786 -20.274 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.002 -7.009 -20.255 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.680 -8.548 -21.915 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.065 -10.251 -21.568 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.642 -9.490 -20.818 1.00 0.00 H new ATOM 535 N SER A 23 4.181 -11.619 -17.990 1.00 0.00 N ATOM 536 CA SER A 23 5.247 -12.634 -18.063 1.00 0.00 C ATOM 537 C SER A 23 4.799 -13.961 -18.696 1.00 0.00 C ATOM 538 O SER A 23 5.595 -14.608 -19.377 1.00 0.00 O ATOM 539 CB SER A 23 5.806 -12.894 -16.658 1.00 0.00 C ATOM 540 OG SER A 23 4.810 -13.456 -15.818 1.00 0.00 O ATOM 0 H SER A 23 3.910 -11.390 -17.034 1.00 0.00 H new ATOM 0 HA SER A 23 6.017 -12.227 -18.718 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.660 -13.569 -16.720 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.168 -11.961 -16.227 1.00 0.00 H new ATOM 0 HG SER A 23 5.186 -13.616 -14.927 1.00 0.00 H new ATOM 546 N GLN A 24 3.533 -14.353 -18.496 1.00 0.00 N ATOM 547 CA GLN A 24 2.838 -15.552 -19.013 1.00 0.00 C ATOM 548 C GLN A 24 3.419 -16.938 -18.635 1.00 0.00 C ATOM 549 O GLN A 24 2.685 -17.930 -18.669 1.00 0.00 O ATOM 550 CB GLN A 24 2.614 -15.431 -20.534 1.00 0.00 C ATOM 551 CG GLN A 24 1.673 -14.270 -20.908 1.00 0.00 C ATOM 552 CD GLN A 24 1.448 -14.124 -22.416 1.00 0.00 C ATOM 553 OE1 GLN A 24 2.032 -14.803 -23.254 1.00 0.00 O ATOM 554 NE2 GLN A 24 0.578 -13.225 -22.828 1.00 0.00 N ATOM 0 H GLN A 24 2.909 -13.792 -17.917 1.00 0.00 H new ATOM 0 HA GLN A 24 1.888 -15.545 -18.479 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.575 -15.287 -21.028 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.198 -16.365 -20.911 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.711 -14.421 -20.419 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.086 -13.339 -20.519 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.080 -12.649 -22.150 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.402 -13.105 -23.826 1.00 0.00 H new ATOM 563 N ILE A 25 4.697 -17.037 -18.259 1.00 0.00 N ATOM 564 CA ILE A 25 5.365 -18.288 -17.859 1.00 0.00 C ATOM 565 C ILE A 25 4.840 -18.838 -16.511 1.00 0.00 C ATOM 566 O ILE A 25 4.479 -18.053 -15.627 1.00 0.00 O ATOM 567 CB ILE A 25 6.903 -18.114 -17.818 1.00 0.00 C ATOM 568 CG1 ILE A 25 7.359 -16.913 -16.954 1.00 0.00 C ATOM 569 CG2 ILE A 25 7.441 -17.990 -19.255 1.00 0.00 C ATOM 570 CD1 ILE A 25 8.862 -16.911 -16.644 1.00 0.00 C ATOM 0 H ILE A 25 5.317 -16.228 -18.222 1.00 0.00 H new ATOM 0 HA ILE A 25 5.120 -19.027 -18.622 1.00 0.00 H new ATOM 0 HB ILE A 25 7.319 -19.000 -17.339 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.102 -15.988 -17.470 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.804 -16.920 -16.016 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.524 -17.867 -19.229 1.00 0.00 H new ATOM 0 HG22 ILE A 25 7.191 -18.891 -19.816 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.989 -17.124 -19.739 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.107 -16.041 -16.035 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.123 -17.819 -16.100 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.426 -16.872 -17.576 1.00 0.00 H new ATOM 582 N PRO A 26 4.820 -20.174 -16.311 1.00 0.00 N ATOM 583 CA PRO A 26 4.425 -20.788 -15.039 1.00 0.00 C ATOM 584 C PRO A 26 5.516 -20.700 -13.952 1.00 0.00 C ATOM 585 O PRO A 26 5.205 -20.762 -12.761 1.00 0.00 O ATOM 586 CB PRO A 26 4.116 -22.246 -15.397 1.00 0.00 C ATOM 587 CG PRO A 26 5.064 -22.536 -16.561 1.00 0.00 C ATOM 588 CD PRO A 26 5.104 -21.203 -17.305 1.00 0.00 C ATOM 0 HA PRO A 26 3.573 -20.265 -14.604 1.00 0.00 H new ATOM 0 HB2 PRO A 26 4.298 -22.913 -14.555 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.073 -22.376 -15.687 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.053 -22.835 -16.213 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.692 -23.342 -17.194 1.00 0.00 H new ATOM 0 HD2 PRO A 26 6.080 -21.042 -17.764 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.367 -21.183 -18.108 1.00 0.00 H new ATOM 596 N ALA A 27 6.790 -20.573 -14.344 1.00 0.00 N ATOM 597 CA ALA A 27 7.938 -20.540 -13.435 1.00 0.00 C ATOM 598 C ALA A 27 8.063 -19.210 -12.660 1.00 0.00 C ATOM 599 O ALA A 27 7.765 -18.134 -13.187 1.00 0.00 O ATOM 600 CB ALA A 27 9.207 -20.841 -14.243 1.00 0.00 C ATOM 0 H ALA A 27 7.055 -20.489 -15.325 1.00 0.00 H new ATOM 0 HA ALA A 27 7.791 -21.302 -12.670 1.00 0.00 H new ATOM 0 HB1 ALA A 27 10.073 -20.821 -13.581 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.122 -21.827 -14.700 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.329 -20.089 -15.023 1.00 0.00 H new ATOM 606 N SER A 28 8.566 -19.293 -11.422 1.00 0.00 N ATOM 607 CA SER A 28 8.809 -18.159 -10.504 1.00 0.00 C ATOM 608 C SER A 28 10.209 -18.207 -9.856 1.00 0.00 C ATOM 609 O SER A 28 10.432 -17.675 -8.768 1.00 0.00 O ATOM 610 CB SER A 28 7.703 -18.080 -9.438 1.00 0.00 C ATOM 611 OG SER A 28 6.430 -17.831 -10.021 1.00 0.00 O ATOM 0 H SER A 28 8.828 -20.188 -11.009 1.00 0.00 H new ATOM 0 HA SER A 28 8.780 -17.249 -11.104 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.670 -19.014 -8.877 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.939 -17.289 -8.726 1.00 0.00 H new ATOM 0 HG SER A 28 5.750 -17.789 -9.316 1.00 0.00 H new ATOM 617 N GLU A 29 11.163 -18.885 -10.505 1.00 0.00 N ATOM 618 CA GLU A 29 12.510 -19.175 -9.974 1.00 0.00 C ATOM 619 C GLU A 29 13.488 -17.979 -10.019 1.00 0.00 C ATOM 620 O GLU A 29 14.590 -18.058 -9.469 1.00 0.00 O ATOM 621 CB GLU A 29 13.110 -20.370 -10.744 1.00 0.00 C ATOM 622 CG GLU A 29 12.276 -21.664 -10.686 1.00 0.00 C ATOM 623 CD GLU A 29 12.101 -22.269 -9.275 1.00 0.00 C ATOM 624 OE1 GLU A 29 12.847 -21.914 -8.329 1.00 0.00 O ATOM 625 OE2 GLU A 29 11.211 -23.138 -9.108 1.00 0.00 O ATOM 0 H GLU A 29 11.020 -19.260 -11.443 1.00 0.00 H new ATOM 0 HA GLU A 29 12.380 -19.408 -8.917 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.237 -20.084 -11.788 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.104 -20.577 -10.347 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.289 -21.461 -11.102 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.745 -22.409 -11.328 1.00 0.00 H new ATOM 632 N GLN A 30 13.103 -16.876 -10.672 1.00 0.00 N ATOM 633 CA GLN A 30 13.908 -15.660 -10.872 1.00 0.00 C ATOM 634 C GLN A 30 13.090 -14.380 -10.617 1.00 0.00 C ATOM 635 O GLN A 30 11.858 -14.414 -10.535 1.00 0.00 O ATOM 636 CB GLN A 30 14.518 -15.658 -12.287 1.00 0.00 C ATOM 637 CG GLN A 30 15.502 -16.819 -12.528 1.00 0.00 C ATOM 638 CD GLN A 30 16.246 -16.733 -13.864 1.00 0.00 C ATOM 639 OE1 GLN A 30 16.009 -15.881 -14.714 1.00 0.00 O ATOM 640 NE2 GLN A 30 17.184 -17.624 -14.109 1.00 0.00 N ATOM 0 H GLN A 30 12.178 -16.801 -11.096 1.00 0.00 H new ATOM 0 HA GLN A 30 14.716 -15.667 -10.141 1.00 0.00 H new ATOM 0 HB2 GLN A 30 13.715 -15.713 -13.022 1.00 0.00 H new ATOM 0 HB3 GLN A 30 15.035 -14.713 -12.451 1.00 0.00 H new ATOM 0 HG2 GLN A 30 16.231 -16.839 -11.718 1.00 0.00 H new ATOM 0 HG3 GLN A 30 14.955 -17.761 -12.488 1.00 0.00 H new ATOM 0 HE21 GLN A 30 17.399 -18.342 -13.417 1.00 0.00 H new ATOM 0 HE22 GLN A 30 17.696 -17.596 -14.991 1.00 0.00 H new ATOM 649 N GLU A 31 13.772 -13.238 -10.490 1.00 0.00 N ATOM 650 CA GLU A 31 13.152 -11.922 -10.274 1.00 0.00 C ATOM 651 C GLU A 31 12.208 -11.532 -11.431 1.00 0.00 C ATOM 652 O GLU A 31 12.621 -11.487 -12.594 1.00 0.00 O ATOM 653 CB GLU A 31 14.265 -10.876 -10.061 1.00 0.00 C ATOM 654 CG GLU A 31 13.738 -9.459 -9.770 1.00 0.00 C ATOM 655 CD GLU A 31 14.854 -8.424 -9.494 1.00 0.00 C ATOM 656 OE1 GLU A 31 16.060 -8.772 -9.482 1.00 0.00 O ATOM 657 OE2 GLU A 31 14.519 -7.234 -9.273 1.00 0.00 O ATOM 0 H GLU A 31 14.790 -13.199 -10.535 1.00 0.00 H new ATOM 0 HA GLU A 31 12.527 -11.965 -9.382 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.897 -11.196 -9.233 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.895 -10.844 -10.950 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.143 -9.121 -10.619 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.071 -9.499 -8.909 1.00 0.00 H new ATOM 664 N THR A 32 10.948 -11.219 -11.101 1.00 0.00 N ATOM 665 CA THR A 32 9.906 -10.749 -12.038 1.00 0.00 C ATOM 666 C THR A 32 9.310 -9.392 -11.672 1.00 0.00 C ATOM 667 O THR A 32 8.942 -9.165 -10.518 1.00 0.00 O ATOM 668 CB THR A 32 8.822 -11.798 -12.358 1.00 0.00 C ATOM 669 OG1 THR A 32 9.330 -13.117 -12.350 1.00 0.00 O ATOM 670 CG2 THR A 32 8.162 -11.572 -13.720 1.00 0.00 C ATOM 0 H THR A 32 10.609 -11.287 -10.141 1.00 0.00 H new ATOM 0 HA THR A 32 10.450 -10.596 -12.970 1.00 0.00 H new ATOM 0 HB THR A 32 8.083 -11.675 -11.566 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.608 -13.747 -12.556 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.408 -12.340 -13.891 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.690 -10.590 -13.737 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.918 -11.625 -14.504 1.00 0.00 H new ATOM 678 N LEU A 33 9.234 -8.484 -12.646 1.00 0.00 N ATOM 679 CA LEU A 33 8.915 -7.067 -12.442 1.00 0.00 C ATOM 680 C LEU A 33 7.487 -6.710 -12.886 1.00 0.00 C ATOM 681 O LEU A 33 6.980 -7.237 -13.878 1.00 0.00 O ATOM 682 CB LEU A 33 9.971 -6.206 -13.163 1.00 0.00 C ATOM 683 CG LEU A 33 11.427 -6.474 -12.718 1.00 0.00 C ATOM 684 CD1 LEU A 33 12.399 -5.770 -13.664 1.00 0.00 C ATOM 685 CD2 LEU A 33 11.685 -5.986 -11.293 1.00 0.00 C ATOM 0 H LEU A 33 9.397 -8.718 -13.625 1.00 0.00 H new ATOM 0 HA LEU A 33 8.946 -6.858 -11.373 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.894 -6.382 -14.236 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.741 -5.154 -12.995 1.00 0.00 H new ATOM 0 HG LEU A 33 11.582 -7.553 -12.747 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.423 -5.964 -13.344 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.258 -6.147 -14.677 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.210 -4.697 -13.647 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.719 -6.193 -11.019 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.503 -4.913 -11.237 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.017 -6.503 -10.605 1.00 0.00 H new ATOM 697 N VAL A 34 6.855 -5.789 -12.152 1.00 0.00 N ATOM 698 CA VAL A 34 5.460 -5.341 -12.360 1.00 0.00 C ATOM 699 C VAL A 34 5.304 -4.016 -13.105 1.00 0.00 C ATOM 700 O VAL A 34 4.262 -3.770 -13.712 1.00 0.00 O ATOM 701 CB VAL A 34 4.640 -5.351 -11.050 1.00 0.00 C ATOM 702 CG1 VAL A 34 4.987 -6.528 -10.137 1.00 0.00 C ATOM 703 CG2 VAL A 34 4.807 -4.079 -10.205 1.00 0.00 C ATOM 0 H VAL A 34 7.308 -5.315 -11.370 1.00 0.00 H new ATOM 0 HA VAL A 34 5.043 -6.091 -13.033 1.00 0.00 H new ATOM 0 HB VAL A 34 3.612 -5.428 -11.405 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.378 -6.480 -9.234 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.788 -7.464 -10.659 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.042 -6.480 -9.867 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.202 -4.160 -9.302 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.855 -3.960 -9.930 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.483 -3.213 -10.783 1.00 0.00 H new ATOM 713 N ARG A 35 6.338 -3.167 -13.035 1.00 0.00 N ATOM 714 CA ARG A 35 6.405 -1.791 -13.562 1.00 0.00 C ATOM 715 C ARG A 35 5.162 -0.947 -13.184 1.00 0.00 C ATOM 716 O ARG A 35 4.301 -0.699 -14.031 1.00 0.00 O ATOM 717 CB ARG A 35 6.723 -1.845 -15.072 1.00 0.00 C ATOM 718 CG ARG A 35 7.045 -0.468 -15.677 1.00 0.00 C ATOM 719 CD ARG A 35 7.497 -0.616 -17.135 1.00 0.00 C ATOM 720 NE ARG A 35 7.797 0.697 -17.743 1.00 0.00 N ATOM 721 CZ ARG A 35 7.031 1.398 -18.562 1.00 0.00 C ATOM 722 NH1 ARG A 35 5.821 1.030 -18.877 1.00 0.00 N ATOM 723 NH2 ARG A 35 7.473 2.506 -19.085 1.00 0.00 N ATOM 0 H ARG A 35 7.209 -3.438 -12.579 1.00 0.00 H new ATOM 0 HA ARG A 35 7.222 -1.252 -13.082 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.570 -2.512 -15.234 1.00 0.00 H new ATOM 0 HB3 ARG A 35 5.872 -2.276 -15.600 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.165 0.173 -15.626 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.828 0.018 -15.095 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.382 -1.250 -17.180 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.717 -1.115 -17.710 1.00 0.00 H new ATOM 0 HE ARG A 35 8.698 1.110 -17.504 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.431 0.172 -18.488 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.264 1.600 -19.513 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.413 2.835 -18.863 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.880 3.044 -19.716 1.00 0.00 H new ATOM 737 N PRO A 36 5.026 -0.547 -11.902 1.00 0.00 N ATOM 738 CA PRO A 36 3.838 0.150 -11.406 1.00 0.00 C ATOM 739 C PRO A 36 3.729 1.593 -11.927 1.00 0.00 C ATOM 740 O PRO A 36 4.699 2.167 -12.436 1.00 0.00 O ATOM 741 CB PRO A 36 3.959 0.110 -9.881 1.00 0.00 C ATOM 742 CG PRO A 36 5.463 0.086 -9.632 1.00 0.00 C ATOM 743 CD PRO A 36 6.022 -0.666 -10.841 1.00 0.00 C ATOM 0 HA PRO A 36 2.928 -0.334 -11.760 1.00 0.00 H new ATOM 0 HB2 PRO A 36 3.492 0.980 -9.420 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.471 -0.771 -9.465 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.873 1.094 -9.563 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.706 -0.421 -8.698 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.975 -0.241 -11.155 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.205 -1.712 -10.596 1.00 0.00 H new ATOM 751 N LYS A 37 2.546 2.200 -11.767 1.00 0.00 N ATOM 752 CA LYS A 37 2.284 3.612 -12.116 1.00 0.00 C ATOM 753 C LYS A 37 3.217 4.583 -11.357 1.00 0.00 C ATOM 754 O LYS A 37 3.536 4.326 -10.191 1.00 0.00 O ATOM 755 CB LYS A 37 0.795 3.953 -11.888 1.00 0.00 C ATOM 756 CG LYS A 37 -0.127 3.142 -12.821 1.00 0.00 C ATOM 757 CD LYS A 37 -1.618 3.509 -12.745 1.00 0.00 C ATOM 758 CE LYS A 37 -2.181 3.503 -11.314 1.00 0.00 C ATOM 759 NZ LYS A 37 -3.646 3.247 -11.299 1.00 0.00 N ATOM 0 H LYS A 37 1.729 1.722 -11.387 1.00 0.00 H new ATOM 0 HA LYS A 37 2.506 3.741 -13.175 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.531 3.751 -10.850 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.636 5.018 -12.056 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.212 3.276 -13.848 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.017 2.084 -12.585 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.763 4.498 -13.179 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.188 2.807 -13.354 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.672 2.739 -10.726 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.974 4.461 -10.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.060 3.652 -10.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.084 3.688 -12.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.819 2.222 -11.318 1.00 0.00 H new ATOM 773 N PRO A 38 3.628 5.719 -11.958 1.00 0.00 N ATOM 774 CA PRO A 38 4.597 6.645 -11.353 1.00 0.00 C ATOM 775 C PRO A 38 4.101 7.291 -10.045 1.00 0.00 C ATOM 776 O PRO A 38 4.908 7.617 -9.172 1.00 0.00 O ATOM 777 CB PRO A 38 4.890 7.693 -12.434 1.00 0.00 C ATOM 778 CG PRO A 38 3.646 7.665 -13.319 1.00 0.00 C ATOM 779 CD PRO A 38 3.242 6.194 -13.281 1.00 0.00 C ATOM 0 HA PRO A 38 5.495 6.107 -11.049 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.050 8.680 -12.001 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.788 7.444 -12.999 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.859 8.312 -12.932 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.863 8.000 -14.333 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.170 6.077 -13.443 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.747 5.628 -14.064 1.00 0.00 H new ATOM 787 N LEU A 39 2.779 7.413 -9.869 1.00 0.00 N ATOM 788 CA LEU A 39 2.155 7.870 -8.623 1.00 0.00 C ATOM 789 C LEU A 39 2.502 6.956 -7.430 1.00 0.00 C ATOM 790 O LEU A 39 2.757 7.446 -6.331 1.00 0.00 O ATOM 791 CB LEU A 39 0.632 7.953 -8.855 1.00 0.00 C ATOM 792 CG LEU A 39 -0.171 8.537 -7.677 1.00 0.00 C ATOM 793 CD1 LEU A 39 0.112 10.030 -7.494 1.00 0.00 C ATOM 794 CD2 LEU A 39 -1.668 8.371 -7.934 1.00 0.00 C ATOM 0 H LEU A 39 2.103 7.193 -10.601 1.00 0.00 H new ATOM 0 HA LEU A 39 2.544 8.854 -8.361 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.446 8.562 -9.740 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.257 6.953 -9.072 1.00 0.00 H new ATOM 0 HG LEU A 39 0.131 7.998 -6.779 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.470 10.411 -6.655 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.174 10.177 -7.295 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.165 10.567 -8.401 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.229 8.786 -7.097 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.940 8.896 -8.850 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.904 7.312 -8.039 1.00 0.00 H new ATOM 806 N LEU A 40 2.558 5.636 -7.655 1.00 0.00 N ATOM 807 CA LEU A 40 2.958 4.665 -6.634 1.00 0.00 C ATOM 808 C LEU A 40 4.464 4.698 -6.396 1.00 0.00 C ATOM 809 O LEU A 40 4.899 4.714 -5.250 1.00 0.00 O ATOM 810 CB LEU A 40 2.490 3.256 -7.032 1.00 0.00 C ATOM 811 CG LEU A 40 2.784 2.173 -5.971 1.00 0.00 C ATOM 812 CD1 LEU A 40 2.164 2.484 -4.608 1.00 0.00 C ATOM 813 CD2 LEU A 40 2.191 0.848 -6.435 1.00 0.00 C ATOM 0 H LEU A 40 2.326 5.213 -8.554 1.00 0.00 H new ATOM 0 HA LEU A 40 2.477 4.937 -5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.417 3.281 -7.223 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.974 2.974 -7.967 1.00 0.00 H new ATOM 0 HG LEU A 40 3.868 2.134 -5.861 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.407 1.685 -3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.561 3.428 -4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.081 2.561 -4.710 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.394 0.078 -5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.114 0.956 -6.561 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.640 0.561 -7.386 1.00 0.00 H new ATOM 825 N LEU A 41 5.260 4.772 -7.464 1.00 0.00 N ATOM 826 CA LEU A 41 6.719 4.854 -7.385 1.00 0.00 C ATOM 827 C LEU A 41 7.191 6.021 -6.497 1.00 0.00 C ATOM 828 O LEU A 41 8.089 5.847 -5.672 1.00 0.00 O ATOM 829 CB LEU A 41 7.259 4.933 -8.822 1.00 0.00 C ATOM 830 CG LEU A 41 8.776 5.135 -8.929 1.00 0.00 C ATOM 831 CD1 LEU A 41 9.544 4.039 -8.190 1.00 0.00 C ATOM 832 CD2 LEU A 41 9.187 5.113 -10.401 1.00 0.00 C ATOM 0 H LEU A 41 4.905 4.777 -8.420 1.00 0.00 H new ATOM 0 HA LEU A 41 7.120 3.965 -6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.991 4.016 -9.347 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.760 5.753 -9.338 1.00 0.00 H new ATOM 0 HG LEU A 41 9.018 6.095 -8.473 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.615 4.216 -8.288 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.270 4.050 -7.135 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.296 3.068 -8.619 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.265 5.256 -10.480 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.915 4.153 -10.840 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.674 5.914 -10.934 1.00 0.00 H new ATOM 844 N LYS A 42 6.535 7.184 -6.589 1.00 0.00 N ATOM 845 CA LYS A 42 6.777 8.337 -5.706 1.00 0.00 C ATOM 846 C LYS A 42 6.502 8.027 -4.221 1.00 0.00 C ATOM 847 O LYS A 42 7.248 8.476 -3.352 1.00 0.00 O ATOM 848 CB LYS A 42 5.907 9.504 -6.205 1.00 0.00 C ATOM 849 CG LYS A 42 6.102 10.795 -5.392 1.00 0.00 C ATOM 850 CD LYS A 42 5.358 11.996 -5.995 1.00 0.00 C ATOM 851 CE LYS A 42 3.832 11.829 -5.943 1.00 0.00 C ATOM 852 NZ LYS A 42 3.137 13.034 -6.470 1.00 0.00 N ATOM 0 H LYS A 42 5.811 7.355 -7.287 1.00 0.00 H new ATOM 0 HA LYS A 42 7.834 8.600 -5.752 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.141 9.702 -7.251 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.858 9.211 -6.163 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.754 10.633 -4.372 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.166 11.025 -5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.640 12.901 -5.457 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.671 12.130 -7.031 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.540 10.955 -6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.519 11.647 -4.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.108 12.890 -6.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.398 13.863 -5.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.418 13.192 -7.459 1.00 0.00 H new ATOM 866 N LEU A 43 5.475 7.224 -3.920 1.00 0.00 N ATOM 867 CA LEU A 43 5.199 6.717 -2.567 1.00 0.00 C ATOM 868 C LEU A 43 6.297 5.750 -2.087 1.00 0.00 C ATOM 869 O LEU A 43 6.758 5.877 -0.954 1.00 0.00 O ATOM 870 CB LEU A 43 3.779 6.112 -2.521 1.00 0.00 C ATOM 871 CG LEU A 43 3.299 5.647 -1.129 1.00 0.00 C ATOM 872 CD1 LEU A 43 1.771 5.570 -1.121 1.00 0.00 C ATOM 873 CD2 LEU A 43 3.794 4.244 -0.752 1.00 0.00 C ATOM 0 H LEU A 43 4.803 6.903 -4.617 1.00 0.00 H new ATOM 0 HA LEU A 43 5.222 7.545 -1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.075 6.853 -2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.743 5.261 -3.201 1.00 0.00 H new ATOM 0 HG LEU A 43 3.698 6.371 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.428 5.242 -0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.356 6.554 -1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.439 4.859 -1.878 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.420 3.980 0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.430 3.521 -1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.884 4.233 -0.743 1.00 0.00 H new ATOM 885 N LEU A 44 6.797 4.853 -2.948 1.00 0.00 N ATOM 886 CA LEU A 44 7.956 4.004 -2.616 1.00 0.00 C ATOM 887 C LEU A 44 9.198 4.866 -2.296 1.00 0.00 C ATOM 888 O LEU A 44 9.901 4.627 -1.313 1.00 0.00 O ATOM 889 CB LEU A 44 8.257 2.968 -3.729 1.00 0.00 C ATOM 890 CG LEU A 44 7.069 2.233 -4.378 1.00 0.00 C ATOM 891 CD1 LEU A 44 7.570 1.253 -5.440 1.00 0.00 C ATOM 892 CD2 LEU A 44 6.208 1.454 -3.387 1.00 0.00 C ATOM 0 H LEU A 44 6.418 4.694 -3.882 1.00 0.00 H new ATOM 0 HA LEU A 44 7.698 3.438 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.805 3.479 -4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.927 2.216 -3.312 1.00 0.00 H new ATOM 0 HG LEU A 44 6.448 3.015 -4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.721 0.740 -5.891 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.115 1.799 -6.210 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.232 0.521 -4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.393 0.964 -3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.818 0.702 -2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.797 2.139 -2.645 1.00 0.00 H new ATOM 904 N LYS A 45 9.438 5.937 -3.061 1.00 0.00 N ATOM 905 CA LYS A 45 10.482 6.945 -2.788 1.00 0.00 C ATOM 906 C LYS A 45 10.254 7.820 -1.555 1.00 0.00 C ATOM 907 O LYS A 45 11.231 8.305 -0.986 1.00 0.00 O ATOM 908 CB LYS A 45 10.708 7.781 -4.051 1.00 0.00 C ATOM 909 CG LYS A 45 11.575 6.975 -5.019 1.00 0.00 C ATOM 910 CD LYS A 45 11.215 7.290 -6.468 1.00 0.00 C ATOM 911 CE LYS A 45 12.265 6.754 -7.436 1.00 0.00 C ATOM 912 NZ LYS A 45 12.650 5.335 -7.175 1.00 0.00 N ATOM 0 H LYS A 45 8.903 6.136 -3.906 1.00 0.00 H new ATOM 0 HA LYS A 45 11.384 6.390 -2.529 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.754 8.031 -4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.196 8.722 -3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.627 7.201 -4.845 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.442 5.910 -4.831 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.244 6.855 -6.705 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.120 8.369 -6.594 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.885 6.837 -8.454 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.155 7.380 -7.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.942 4.885 -8.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.439 5.308 -6.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.837 4.822 -6.779 1.00 0.00 H new ATOM 926 N SER A 46 9.020 7.937 -1.061 1.00 0.00 N ATOM 927 CA SER A 46 8.727 8.568 0.240 1.00 0.00 C ATOM 928 C SER A 46 9.281 7.759 1.429 1.00 0.00 C ATOM 929 O SER A 46 9.456 8.309 2.517 1.00 0.00 O ATOM 930 CB SER A 46 7.225 8.824 0.408 1.00 0.00 C ATOM 931 OG SER A 46 6.763 9.705 -0.605 1.00 0.00 O ATOM 0 H SER A 46 8.190 7.598 -1.548 1.00 0.00 H new ATOM 0 HA SER A 46 9.243 9.528 0.241 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.680 7.881 0.357 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.029 9.253 1.391 1.00 0.00 H new ATOM 0 HG SER A 46 6.909 9.298 -1.484 1.00 0.00 H new ATOM 937 N VAL A 47 9.618 6.478 1.211 1.00 0.00 N ATOM 938 CA VAL A 47 10.381 5.609 2.136 1.00 0.00 C ATOM 939 C VAL A 47 11.746 5.179 1.554 1.00 0.00 C ATOM 940 O VAL A 47 12.391 4.268 2.075 1.00 0.00 O ATOM 941 CB VAL A 47 9.535 4.424 2.648 1.00 0.00 C ATOM 942 CG1 VAL A 47 8.314 4.916 3.430 1.00 0.00 C ATOM 943 CG2 VAL A 47 9.057 3.492 1.532 1.00 0.00 C ATOM 0 H VAL A 47 9.358 5.995 0.351 1.00 0.00 H new ATOM 0 HA VAL A 47 10.617 6.211 3.014 1.00 0.00 H new ATOM 0 HB VAL A 47 10.199 3.856 3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.736 4.060 3.779 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.643 5.505 4.286 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.692 5.534 2.782 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.469 2.681 1.962 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.442 4.053 0.828 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.919 3.077 1.010 1.00 0.00 H new ATOM 953 N GLY A 48 12.225 5.863 0.506 1.00 0.00 N ATOM 954 CA GLY A 48 13.596 5.760 -0.014 1.00 0.00 C ATOM 955 C GLY A 48 13.884 4.620 -0.998 1.00 0.00 C ATOM 956 O GLY A 48 15.040 4.207 -1.112 1.00 0.00 O ATOM 0 H GLY A 48 11.652 6.523 -0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.844 6.701 -0.504 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.273 5.655 0.834 1.00 0.00 H new ATOM 960 N ALA A 49 12.878 4.091 -1.702 1.00 0.00 N ATOM 961 CA ALA A 49 13.059 2.989 -2.647 1.00 0.00 C ATOM 962 C ALA A 49 13.914 3.404 -3.872 1.00 0.00 C ATOM 963 O ALA A 49 13.587 4.352 -4.596 1.00 0.00 O ATOM 964 CB ALA A 49 11.667 2.483 -3.016 1.00 0.00 C ATOM 0 H ALA A 49 11.914 4.417 -1.631 1.00 0.00 H new ATOM 0 HA ALA A 49 13.629 2.178 -2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.755 1.657 -3.722 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.155 2.139 -2.117 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.095 3.291 -3.472 1.00 0.00 H new ATOM 970 N GLN A 50 15.033 2.703 -4.091 1.00 0.00 N ATOM 971 CA GLN A 50 16.086 3.096 -5.042 1.00 0.00 C ATOM 972 C GLN A 50 15.814 2.742 -6.519 1.00 0.00 C ATOM 973 O GLN A 50 16.235 3.484 -7.413 1.00 0.00 O ATOM 974 CB GLN A 50 17.409 2.478 -4.544 1.00 0.00 C ATOM 975 CG GLN A 50 18.654 2.750 -5.412 1.00 0.00 C ATOM 976 CD GLN A 50 19.050 4.225 -5.528 1.00 0.00 C ATOM 977 OE1 GLN A 50 18.617 5.097 -4.782 1.00 0.00 O ATOM 978 NE2 GLN A 50 19.912 4.567 -6.462 1.00 0.00 N ATOM 0 H GLN A 50 15.238 1.830 -3.604 1.00 0.00 H new ATOM 0 HA GLN A 50 16.127 4.185 -5.056 1.00 0.00 H new ATOM 0 HB2 GLN A 50 17.604 2.850 -3.538 1.00 0.00 H new ATOM 0 HB3 GLN A 50 17.275 1.399 -4.465 1.00 0.00 H new ATOM 0 HG2 GLN A 50 19.496 2.194 -4.998 1.00 0.00 H new ATOM 0 HG3 GLN A 50 18.474 2.357 -6.413 1.00 0.00 H new ATOM 0 HE21 GLN A 50 20.286 3.860 -7.094 1.00 0.00 H new ATOM 0 HE22 GLN A 50 20.206 5.539 -6.553 1.00 0.00 H new ATOM 987 N LYS A 51 15.141 1.617 -6.792 1.00 0.00 N ATOM 988 CA LYS A 51 14.943 1.056 -8.147 1.00 0.00 C ATOM 989 C LYS A 51 13.982 1.909 -8.994 1.00 0.00 C ATOM 990 O LYS A 51 13.236 2.745 -8.476 1.00 0.00 O ATOM 991 CB LYS A 51 14.408 -0.395 -8.080 1.00 0.00 C ATOM 992 CG LYS A 51 15.043 -1.311 -7.018 1.00 0.00 C ATOM 993 CD LYS A 51 14.313 -2.661 -6.905 1.00 0.00 C ATOM 994 CE LYS A 51 14.650 -3.649 -8.027 1.00 0.00 C ATOM 995 NZ LYS A 51 14.010 -4.961 -7.767 1.00 0.00 N ATOM 0 H LYS A 51 14.706 1.053 -6.062 1.00 0.00 H new ATOM 0 HA LYS A 51 15.922 1.061 -8.625 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.334 -0.355 -7.898 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.549 -0.856 -9.057 1.00 0.00 H new ATOM 0 HG2 LYS A 51 16.089 -1.485 -7.269 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.027 -0.809 -6.051 1.00 0.00 H new ATOM 0 HD2 LYS A 51 14.561 -3.117 -5.947 1.00 0.00 H new ATOM 0 HD3 LYS A 51 13.238 -2.482 -6.904 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.309 -3.254 -8.984 1.00 0.00 H new ATOM 0 HE3 LYS A 51 15.731 -3.772 -8.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.205 -5.605 -8.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 14.393 -5.366 -6.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.983 -4.833 -7.669 1.00 0.00 H new ATOM 1009 N ASP A 52 13.960 1.643 -10.296 1.00 0.00 N ATOM 1010 CA ASP A 52 12.978 2.150 -11.267 1.00 0.00 C ATOM 1011 C ASP A 52 11.868 1.155 -11.677 1.00 0.00 C ATOM 1012 O ASP A 52 10.915 1.530 -12.364 1.00 0.00 O ATOM 1013 CB ASP A 52 13.655 2.842 -12.468 1.00 0.00 C ATOM 1014 CG ASP A 52 14.833 2.093 -13.127 1.00 0.00 C ATOM 1015 OD1 ASP A 52 15.165 0.945 -12.745 1.00 0.00 O ATOM 1016 OD2 ASP A 52 15.445 2.674 -14.057 1.00 0.00 O ATOM 0 H ASP A 52 14.658 1.039 -10.731 1.00 0.00 H new ATOM 0 HA ASP A 52 12.426 2.916 -10.722 1.00 0.00 H new ATOM 0 HB2 ASP A 52 12.896 3.020 -13.230 1.00 0.00 H new ATOM 0 HB3 ASP A 52 14.013 3.818 -12.141 1.00 0.00 H new ATOM 1021 N THR A 53 11.957 -0.100 -11.219 1.00 0.00 N ATOM 1022 CA THR A 53 10.997 -1.195 -11.477 1.00 0.00 C ATOM 1023 C THR A 53 11.116 -2.145 -10.279 1.00 0.00 C ATOM 1024 O THR A 53 12.176 -2.279 -9.662 1.00 0.00 O ATOM 1025 CB THR A 53 11.346 -2.015 -12.739 1.00 0.00 C ATOM 1026 OG1 THR A 53 12.735 -2.051 -13.006 1.00 0.00 O ATOM 1027 CG2 THR A 53 10.641 -1.466 -13.977 1.00 0.00 C ATOM 0 H THR A 53 12.734 -0.400 -10.630 1.00 0.00 H new ATOM 0 HA THR A 53 10.005 -0.768 -11.622 1.00 0.00 H new ATOM 0 HB THR A 53 11.002 -3.027 -12.525 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.899 -2.583 -13.812 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.910 -2.067 -14.845 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.562 -1.505 -13.829 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.947 -0.433 -14.142 1.00 0.00 H new ATOM 1035 N TYR A 54 10.007 -2.814 -9.947 1.00 0.00 N ATOM 1036 CA TYR A 54 9.839 -3.579 -8.706 1.00 0.00 C ATOM 1037 C TYR A 54 9.072 -4.895 -8.861 1.00 0.00 C ATOM 1038 O TYR A 54 8.232 -5.008 -9.755 1.00 0.00 O ATOM 1039 CB TYR A 54 9.129 -2.697 -7.661 1.00 0.00 C ATOM 1040 CG TYR A 54 9.918 -1.487 -7.202 1.00 0.00 C ATOM 1041 CD1 TYR A 54 9.894 -0.309 -7.971 1.00 0.00 C ATOM 1042 CD2 TYR A 54 10.696 -1.546 -6.030 1.00 0.00 C ATOM 1043 CE1 TYR A 54 10.691 0.786 -7.600 1.00 0.00 C ATOM 1044 CE2 TYR A 54 11.446 -0.428 -5.624 1.00 0.00 C ATOM 1045 CZ TYR A 54 11.445 0.740 -6.412 1.00 0.00 C ATOM 1046 OH TYR A 54 12.226 1.794 -6.071 1.00 0.00 O ATOM 0 H TYR A 54 9.182 -2.840 -10.547 1.00 0.00 H new ATOM 0 HA TYR A 54 10.844 -3.857 -8.387 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.181 -2.357 -8.078 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.893 -3.309 -6.791 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.263 -0.247 -8.846 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.717 -2.452 -5.442 1.00 0.00 H new ATOM 0 HE1 TYR A 54 10.726 1.665 -8.227 1.00 0.00 H new ATOM 0 HE2 TYR A 54 12.021 -0.465 -4.711 1.00 0.00 H new ATOM 0 HH TYR A 54 12.615 2.188 -6.880 1.00 0.00 H new ATOM 1056 N THR A 55 9.333 -5.876 -7.995 1.00 0.00 N ATOM 1057 CA THR A 55 8.477 -7.069 -7.835 1.00 0.00 C ATOM 1058 C THR A 55 7.203 -6.777 -7.036 1.00 0.00 C ATOM 1059 O THR A 55 7.184 -5.822 -6.259 1.00 0.00 O ATOM 1060 CB THR A 55 9.207 -8.317 -7.300 1.00 0.00 C ATOM 1061 OG1 THR A 55 9.140 -8.357 -5.890 1.00 0.00 O ATOM 1062 CG2 THR A 55 10.680 -8.427 -7.694 1.00 0.00 C ATOM 0 H THR A 55 10.146 -5.872 -7.379 1.00 0.00 H new ATOM 0 HA THR A 55 8.181 -7.322 -8.853 1.00 0.00 H new ATOM 0 HB THR A 55 8.685 -9.154 -7.764 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.606 -9.155 -5.563 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.103 -9.337 -7.269 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.765 -8.460 -8.780 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.224 -7.562 -7.314 1.00 0.00 H new ATOM 1070 N MET A 56 6.138 -7.583 -7.148 1.00 0.00 N ATOM 1071 CA MET A 56 4.932 -7.351 -6.329 1.00 0.00 C ATOM 1072 C MET A 56 5.241 -7.458 -4.826 1.00 0.00 C ATOM 1073 O MET A 56 4.698 -6.691 -4.031 1.00 0.00 O ATOM 1074 CB MET A 56 3.803 -8.315 -6.720 1.00 0.00 C ATOM 1075 CG MET A 56 2.468 -7.893 -6.091 1.00 0.00 C ATOM 1076 SD MET A 56 1.018 -8.787 -6.695 1.00 0.00 S ATOM 1077 CE MET A 56 0.601 -7.614 -7.996 1.00 0.00 C ATOM 0 H MET A 56 6.082 -8.382 -7.779 1.00 0.00 H new ATOM 0 HA MET A 56 4.596 -6.334 -6.529 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.704 -8.342 -7.805 1.00 0.00 H new ATOM 0 HB3 MET A 56 4.056 -9.325 -6.398 1.00 0.00 H new ATOM 0 HG2 MET A 56 2.534 -8.027 -5.011 1.00 0.00 H new ATOM 0 HG3 MET A 56 2.320 -6.828 -6.271 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.287 -7.959 -8.526 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.404 -6.637 -7.555 1.00 0.00 H new ATOM 0 HE3 MET A 56 1.433 -7.536 -8.696 1.00 0.00 H new ATOM 1087 N LYS A 57 6.167 -8.352 -4.444 1.00 0.00 N ATOM 1088 CA LYS A 57 6.649 -8.513 -3.067 1.00 0.00 C ATOM 1089 C LYS A 57 7.332 -7.233 -2.569 1.00 0.00 C ATOM 1090 O LYS A 57 7.067 -6.790 -1.456 1.00 0.00 O ATOM 1091 CB LYS A 57 7.625 -9.708 -3.018 1.00 0.00 C ATOM 1092 CG LYS A 57 7.735 -10.341 -1.621 1.00 0.00 C ATOM 1093 CD LYS A 57 6.626 -11.384 -1.403 1.00 0.00 C ATOM 1094 CE LYS A 57 6.611 -11.993 0.006 1.00 0.00 C ATOM 1095 NZ LYS A 57 7.808 -12.815 0.320 1.00 0.00 N ATOM 0 H LYS A 57 6.610 -8.996 -5.100 1.00 0.00 H new ATOM 0 HA LYS A 57 5.802 -8.705 -2.409 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.297 -10.466 -3.729 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.613 -9.376 -3.339 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.711 -10.813 -1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.665 -9.565 -0.859 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.660 -10.918 -1.597 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.746 -12.185 -2.133 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.533 -11.189 0.738 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.720 -12.611 0.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.640 -13.353 1.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.991 -13.474 -0.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.632 -12.193 0.449 1.00 0.00 H new ATOM 1109 N GLU A 58 8.162 -6.611 -3.412 1.00 0.00 N ATOM 1110 CA GLU A 58 8.826 -5.333 -3.121 1.00 0.00 C ATOM 1111 C GLU A 58 7.849 -4.150 -3.031 1.00 0.00 C ATOM 1112 O GLU A 58 7.956 -3.347 -2.102 1.00 0.00 O ATOM 1113 CB GLU A 58 9.884 -5.022 -4.187 1.00 0.00 C ATOM 1114 CG GLU A 58 11.112 -5.942 -4.151 1.00 0.00 C ATOM 1115 CD GLU A 58 12.069 -5.684 -5.330 1.00 0.00 C ATOM 1116 OE1 GLU A 58 11.642 -5.148 -6.382 1.00 0.00 O ATOM 1117 OE2 GLU A 58 13.273 -6.021 -5.226 1.00 0.00 O ATOM 0 H GLU A 58 8.396 -6.986 -4.331 1.00 0.00 H new ATOM 0 HA GLU A 58 9.292 -5.453 -2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.421 -5.092 -5.171 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.214 -3.991 -4.063 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.647 -5.794 -3.213 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.785 -6.982 -4.172 1.00 0.00 H new ATOM 1124 N VAL A 59 6.878 -4.042 -3.953 1.00 0.00 N ATOM 1125 CA VAL A 59 5.852 -2.981 -3.913 1.00 0.00 C ATOM 1126 C VAL A 59 5.016 -3.094 -2.637 1.00 0.00 C ATOM 1127 O VAL A 59 4.897 -2.111 -1.907 1.00 0.00 O ATOM 1128 CB VAL A 59 4.938 -2.978 -5.156 1.00 0.00 C ATOM 1129 CG1 VAL A 59 3.912 -1.847 -5.095 1.00 0.00 C ATOM 1130 CG2 VAL A 59 5.722 -2.756 -6.456 1.00 0.00 C ATOM 0 H VAL A 59 6.780 -4.681 -4.742 1.00 0.00 H new ATOM 0 HA VAL A 59 6.386 -2.031 -3.915 1.00 0.00 H new ATOM 0 HB VAL A 59 4.459 -3.957 -5.154 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.286 -1.876 -5.987 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.288 -1.969 -4.209 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.429 -0.889 -5.046 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.034 -2.762 -7.301 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.234 -1.795 -6.412 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.455 -3.553 -6.579 1.00 0.00 H new ATOM 1140 N LEU A 60 4.493 -4.288 -2.326 1.00 0.00 N ATOM 1141 CA LEU A 60 3.795 -4.559 -1.065 1.00 0.00 C ATOM 1142 C LEU A 60 4.683 -4.228 0.143 1.00 0.00 C ATOM 1143 O LEU A 60 4.213 -3.553 1.054 1.00 0.00 O ATOM 1144 CB LEU A 60 3.345 -6.033 -1.007 1.00 0.00 C ATOM 1145 CG LEU A 60 2.194 -6.404 -1.963 1.00 0.00 C ATOM 1146 CD1 LEU A 60 2.030 -7.924 -2.005 1.00 0.00 C ATOM 1147 CD2 LEU A 60 0.858 -5.812 -1.516 1.00 0.00 C ATOM 0 H LEU A 60 4.543 -5.096 -2.946 1.00 0.00 H new ATOM 0 HA LEU A 60 2.915 -3.918 -1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.202 -6.667 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.038 -6.263 0.013 1.00 0.00 H new ATOM 0 HG LEU A 60 2.454 -6.000 -2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.216 -8.184 -2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.955 -8.380 -2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.803 -8.293 -1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.078 -6.101 -2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.608 -6.187 -0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.934 -4.725 -1.484 1.00 0.00 H new ATOM 1159 N PHE A 61 5.956 -4.638 0.151 1.00 0.00 N ATOM 1160 CA PHE A 61 6.904 -4.262 1.201 1.00 0.00 C ATOM 1161 C PHE A 61 7.017 -2.759 1.476 1.00 0.00 C ATOM 1162 O PHE A 61 6.669 -2.291 2.561 1.00 0.00 O ATOM 1163 CB PHE A 61 8.260 -4.975 1.042 1.00 0.00 C ATOM 1164 CG PHE A 61 9.386 -4.398 1.884 1.00 0.00 C ATOM 1165 CD1 PHE A 61 9.557 -4.826 3.214 1.00 0.00 C ATOM 1166 CD2 PHE A 61 10.251 -3.424 1.349 1.00 0.00 C ATOM 1167 CE1 PHE A 61 10.577 -4.274 4.010 1.00 0.00 C ATOM 1168 CE2 PHE A 61 11.271 -2.872 2.145 1.00 0.00 C ATOM 1169 CZ PHE A 61 11.433 -3.296 3.477 1.00 0.00 C ATOM 0 H PHE A 61 6.356 -5.239 -0.570 1.00 0.00 H new ATOM 0 HA PHE A 61 6.463 -4.638 2.124 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.134 -6.026 1.300 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.554 -4.937 -0.007 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.903 -5.581 3.625 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.131 -3.100 0.326 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.702 -4.602 5.031 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.930 -2.122 1.734 1.00 0.00 H new ATOM 0 HZ PHE A 61 12.214 -2.870 4.089 1.00 0.00 H new ATOM 1179 N TYR A 62 7.425 -1.989 0.468 1.00 0.00 N ATOM 1180 CA TYR A 62 7.549 -0.537 0.569 1.00 0.00 C ATOM 1181 C TYR A 62 6.259 0.227 0.902 1.00 0.00 C ATOM 1182 O TYR A 62 6.271 1.143 1.724 1.00 0.00 O ATOM 1183 CB TYR A 62 8.256 0.025 -0.667 1.00 0.00 C ATOM 1184 CG TYR A 62 9.754 -0.206 -0.749 1.00 0.00 C ATOM 1185 CD1 TYR A 62 10.621 0.371 0.200 1.00 0.00 C ATOM 1186 CD2 TYR A 62 10.285 -0.961 -1.812 1.00 0.00 C ATOM 1187 CE1 TYR A 62 12.014 0.215 0.072 1.00 0.00 C ATOM 1188 CE2 TYR A 62 11.675 -1.141 -1.930 1.00 0.00 C ATOM 1189 CZ TYR A 62 12.547 -0.542 -0.993 1.00 0.00 C ATOM 1190 OH TYR A 62 13.896 -0.684 -1.114 1.00 0.00 O ATOM 0 H TYR A 62 7.680 -2.359 -0.448 1.00 0.00 H new ATOM 0 HA TYR A 62 8.167 -0.364 1.450 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.794 -0.411 -1.553 1.00 0.00 H new ATOM 0 HB3 TYR A 62 8.073 1.099 -0.707 1.00 0.00 H new ATOM 0 HD1 TYR A 62 10.216 0.934 1.028 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.622 -1.404 -2.540 1.00 0.00 H new ATOM 0 HE1 TYR A 62 12.676 0.676 0.790 1.00 0.00 H new ATOM 0 HE2 TYR A 62 12.076 -1.737 -2.737 1.00 0.00 H new ATOM 0 HH TYR A 62 14.098 -1.235 -1.899 1.00 0.00 H new ATOM 1200 N LEU A 63 5.130 -0.186 0.315 1.00 0.00 N ATOM 1201 CA LEU A 63 3.807 0.379 0.584 1.00 0.00 C ATOM 1202 C LEU A 63 3.359 0.127 2.033 1.00 0.00 C ATOM 1203 O LEU A 63 2.952 1.061 2.722 1.00 0.00 O ATOM 1204 CB LEU A 63 2.826 -0.200 -0.453 1.00 0.00 C ATOM 1205 CG LEU A 63 1.356 0.221 -0.286 1.00 0.00 C ATOM 1206 CD1 LEU A 63 1.174 1.735 -0.342 1.00 0.00 C ATOM 1207 CD2 LEU A 63 0.531 -0.385 -1.419 1.00 0.00 C ATOM 0 H LEU A 63 5.112 -0.938 -0.374 1.00 0.00 H new ATOM 0 HA LEU A 63 3.835 1.464 0.484 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.159 0.097 -1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.881 -1.288 -0.410 1.00 0.00 H new ATOM 0 HG LEU A 63 1.030 -0.133 0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.119 1.979 -0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.750 2.201 0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.523 2.108 -1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.513 -0.091 -1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.909 -0.026 -2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.607 -1.472 -1.384 1.00 0.00 H new ATOM 1219 N GLY A 64 3.503 -1.103 2.536 1.00 0.00 N ATOM 1220 CA GLY A 64 3.174 -1.438 3.924 1.00 0.00 C ATOM 1221 C GLY A 64 4.070 -0.736 4.941 1.00 0.00 C ATOM 1222 O GLY A 64 3.577 -0.228 5.948 1.00 0.00 O ATOM 0 H GLY A 64 3.851 -1.893 1.993 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.135 -1.171 4.119 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.257 -2.516 4.060 1.00 0.00 H new ATOM 1226 N GLN A 65 5.372 -0.635 4.656 1.00 0.00 N ATOM 1227 CA GLN A 65 6.314 0.145 5.465 1.00 0.00 C ATOM 1228 C GLN A 65 5.964 1.643 5.469 1.00 0.00 C ATOM 1229 O GLN A 65 6.067 2.281 6.517 1.00 0.00 O ATOM 1230 CB GLN A 65 7.754 -0.097 4.982 1.00 0.00 C ATOM 1231 CG GLN A 65 8.258 -1.529 5.251 1.00 0.00 C ATOM 1232 CD GLN A 65 8.501 -1.842 6.727 1.00 0.00 C ATOM 1233 OE1 GLN A 65 9.083 -1.067 7.476 1.00 0.00 O ATOM 1234 NE2 GLN A 65 8.100 -3.004 7.199 1.00 0.00 N ATOM 0 H GLN A 65 5.804 -1.094 3.854 1.00 0.00 H new ATOM 0 HA GLN A 65 6.235 -0.195 6.497 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.809 0.105 3.912 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.419 0.613 5.475 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.531 -2.238 4.856 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.186 -1.685 4.701 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.614 -3.662 6.590 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.276 -3.246 8.174 1.00 0.00 H new ATOM 1243 N TYR A 66 5.467 2.196 4.353 1.00 0.00 N ATOM 1244 CA TYR A 66 4.910 3.550 4.296 1.00 0.00 C ATOM 1245 C TYR A 66 3.674 3.762 5.178 1.00 0.00 C ATOM 1246 O TYR A 66 3.655 4.649 6.033 1.00 0.00 O ATOM 1247 CB TYR A 66 4.735 4.026 2.845 1.00 0.00 C ATOM 1248 CG TYR A 66 3.940 5.312 2.671 1.00 0.00 C ATOM 1249 CD1 TYR A 66 2.532 5.282 2.602 1.00 0.00 C ATOM 1250 CD2 TYR A 66 4.618 6.542 2.562 1.00 0.00 C ATOM 1251 CE1 TYR A 66 1.805 6.477 2.440 1.00 0.00 C ATOM 1252 CE2 TYR A 66 3.896 7.737 2.383 1.00 0.00 C ATOM 1253 CZ TYR A 66 2.486 7.709 2.324 1.00 0.00 C ATOM 1254 OH TYR A 66 1.795 8.869 2.157 1.00 0.00 O ATOM 0 H TYR A 66 5.441 1.709 3.457 1.00 0.00 H new ATOM 0 HA TYR A 66 5.653 4.205 4.750 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.722 4.167 2.405 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.243 3.235 2.278 1.00 0.00 H new ATOM 0 HD1 TYR A 66 2.009 4.340 2.674 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.696 6.568 2.616 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.726 6.452 2.404 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.421 8.676 2.291 1.00 0.00 H new ATOM 0 HH TYR A 66 2.424 9.618 2.097 1.00 0.00 H new ATOM 1264 N ILE A 67 2.674 2.886 5.033 1.00 0.00 N ATOM 1265 CA ILE A 67 1.424 2.908 5.811 1.00 0.00 C ATOM 1266 C ILE A 67 1.709 2.790 7.317 1.00 0.00 C ATOM 1267 O ILE A 67 1.131 3.526 8.123 1.00 0.00 O ATOM 1268 CB ILE A 67 0.473 1.792 5.310 1.00 0.00 C ATOM 1269 CG1 ILE A 67 0.050 2.034 3.841 1.00 0.00 C ATOM 1270 CG2 ILE A 67 -0.795 1.687 6.175 1.00 0.00 C ATOM 1271 CD1 ILE A 67 -0.474 0.779 3.131 1.00 0.00 C ATOM 0 H ILE A 67 2.709 2.123 4.357 1.00 0.00 H new ATOM 0 HA ILE A 67 0.928 3.867 5.660 1.00 0.00 H new ATOM 0 HB ILE A 67 1.031 0.859 5.383 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.723 2.802 3.817 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.904 2.424 3.287 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.434 0.893 5.789 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.516 1.460 7.204 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.335 2.633 6.146 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.750 1.029 2.107 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.304 0.015 3.121 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.348 0.400 3.660 1.00 0.00 H new ATOM 1283 N MET A 68 2.643 1.906 7.688 1.00 0.00 N ATOM 1284 CA MET A 68 3.100 1.705 9.063 1.00 0.00 C ATOM 1285 C MET A 68 3.842 2.933 9.616 1.00 0.00 C ATOM 1286 O MET A 68 3.455 3.458 10.658 1.00 0.00 O ATOM 1287 CB MET A 68 3.981 0.451 9.128 1.00 0.00 C ATOM 1288 CG MET A 68 4.371 0.090 10.570 1.00 0.00 C ATOM 1289 SD MET A 68 6.155 -0.007 10.868 1.00 0.00 S ATOM 1290 CE MET A 68 6.530 -1.462 9.857 1.00 0.00 C ATOM 0 H MET A 68 3.113 1.295 7.020 1.00 0.00 H new ATOM 0 HA MET A 68 2.224 1.566 9.696 1.00 0.00 H new ATOM 0 HB2 MET A 68 3.451 -0.387 8.676 1.00 0.00 H new ATOM 0 HB3 MET A 68 4.884 0.612 8.539 1.00 0.00 H new ATOM 0 HG2 MET A 68 3.943 0.832 11.244 1.00 0.00 H new ATOM 0 HG3 MET A 68 3.921 -0.869 10.825 1.00 0.00 H new ATOM 0 HE1 MET A 68 7.599 -1.670 9.901 1.00 0.00 H new ATOM 0 HE2 MET A 68 5.977 -2.321 10.237 1.00 0.00 H new ATOM 0 HE3 MET A 68 6.239 -1.272 8.824 1.00 0.00 H new ATOM 1300 N THR A 69 4.879 3.424 8.926 1.00 0.00 N ATOM 1301 CA THR A 69 5.700 4.558 9.394 1.00 0.00 C ATOM 1302 C THR A 69 4.985 5.914 9.455 1.00 0.00 C ATOM 1303 O THR A 69 5.208 6.700 10.378 1.00 0.00 O ATOM 1304 CB THR A 69 7.064 4.606 8.678 1.00 0.00 C ATOM 1305 OG1 THR A 69 8.021 5.265 9.483 1.00 0.00 O ATOM 1306 CG2 THR A 69 7.024 5.351 7.344 1.00 0.00 C ATOM 0 H THR A 69 5.176 3.049 8.025 1.00 0.00 H new ATOM 0 HA THR A 69 5.895 4.350 10.446 1.00 0.00 H new ATOM 0 HB THR A 69 7.328 3.564 8.496 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.882 5.286 9.016 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.017 5.346 6.895 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.320 4.859 6.673 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.706 6.380 7.511 1.00 0.00 H new ATOM 1314 N LYS A 70 4.047 6.158 8.527 1.00 0.00 N ATOM 1315 CA LYS A 70 3.113 7.300 8.551 1.00 0.00 C ATOM 1316 C LYS A 70 1.936 7.116 9.529 1.00 0.00 C ATOM 1317 O LYS A 70 1.149 8.045 9.714 1.00 0.00 O ATOM 1318 CB LYS A 70 2.622 7.594 7.119 1.00 0.00 C ATOM 1319 CG LYS A 70 3.722 8.009 6.122 1.00 0.00 C ATOM 1320 CD LYS A 70 4.489 9.294 6.473 1.00 0.00 C ATOM 1321 CE LYS A 70 3.559 10.513 6.561 1.00 0.00 C ATOM 1322 NZ LYS A 70 4.319 11.763 6.829 1.00 0.00 N ATOM 0 H LYS A 70 3.912 5.552 7.717 1.00 0.00 H new ATOM 0 HA LYS A 70 3.663 8.161 8.931 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.121 6.706 6.734 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.876 8.387 7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.438 7.192 6.038 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.267 8.136 5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.003 9.161 7.425 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.255 9.476 5.720 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.005 10.616 5.628 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.826 10.356 7.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.660 12.566 6.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.828 11.673 7.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.001 11.926 6.061 1.00 0.00 H new ATOM 1336 N ARG A 71 1.820 5.937 10.163 1.00 0.00 N ATOM 1337 CA ARG A 71 0.807 5.553 11.171 1.00 0.00 C ATOM 1338 C ARG A 71 -0.637 5.783 10.700 1.00 0.00 C ATOM 1339 O ARG A 71 -1.470 6.321 11.431 1.00 0.00 O ATOM 1340 CB ARG A 71 1.117 6.180 12.546 1.00 0.00 C ATOM 1341 CG ARG A 71 2.561 5.929 13.019 1.00 0.00 C ATOM 1342 CD ARG A 71 2.722 6.156 14.527 1.00 0.00 C ATOM 1343 NE ARG A 71 2.114 5.048 15.288 1.00 0.00 N ATOM 1344 CZ ARG A 71 1.737 5.032 16.551 1.00 0.00 C ATOM 1345 NH1 ARG A 71 1.865 6.064 17.337 1.00 0.00 N ATOM 1346 NH2 ARG A 71 1.219 3.943 17.039 1.00 0.00 N ATOM 0 H ARG A 71 2.472 5.175 9.976 1.00 0.00 H new ATOM 0 HA ARG A 71 0.879 4.473 11.299 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.940 7.254 12.496 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.425 5.777 13.285 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.850 4.907 12.774 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.239 6.590 12.479 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.780 6.238 14.777 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.254 7.099 14.810 1.00 0.00 H new ATOM 0 HE ARG A 71 1.966 4.182 14.770 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.271 6.929 16.981 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.559 6.006 18.308 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.110 3.120 16.446 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.922 3.912 18.014 1.00 0.00 H new ATOM 1360 N LEU A 72 -0.925 5.393 9.456 1.00 0.00 N ATOM 1361 CA LEU A 72 -2.224 5.612 8.798 1.00 0.00 C ATOM 1362 C LEU A 72 -3.333 4.647 9.268 1.00 0.00 C ATOM 1363 O LEU A 72 -4.491 4.791 8.870 1.00 0.00 O ATOM 1364 CB LEU A 72 -2.044 5.549 7.270 1.00 0.00 C ATOM 1365 CG LEU A 72 -0.994 6.515 6.691 1.00 0.00 C ATOM 1366 CD1 LEU A 72 -0.894 6.339 5.177 1.00 0.00 C ATOM 1367 CD2 LEU A 72 -1.330 7.980 6.972 1.00 0.00 C ATOM 0 H LEU A 72 -0.252 4.907 8.863 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.566 6.605 9.091 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.768 4.531 6.995 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.004 5.757 6.799 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.050 6.272 7.178 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.148 7.027 4.779 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.601 5.314 4.948 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.862 6.549 4.722 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.558 8.619 6.543 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.294 8.224 6.525 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.378 8.142 8.049 1.00 0.00 H new ATOM 1379 N TYR A 73 -2.999 3.661 10.105 1.00 0.00 N ATOM 1380 CA TYR A 73 -3.966 2.765 10.738 1.00 0.00 C ATOM 1381 C TYR A 73 -4.916 3.402 11.772 1.00 0.00 C ATOM 1382 O TYR A 73 -4.537 4.338 12.480 1.00 0.00 O ATOM 1383 CB TYR A 73 -3.298 1.485 11.260 1.00 0.00 C ATOM 1384 CG TYR A 73 -2.032 1.719 12.069 1.00 0.00 C ATOM 1385 CD1 TYR A 73 -2.138 2.003 13.444 1.00 0.00 C ATOM 1386 CD2 TYR A 73 -0.762 1.663 11.458 1.00 0.00 C ATOM 1387 CE1 TYR A 73 -0.980 2.220 14.214 1.00 0.00 C ATOM 1388 CE2 TYR A 73 0.400 1.870 12.230 1.00 0.00 C ATOM 1389 CZ TYR A 73 0.292 2.145 13.612 1.00 0.00 C ATOM 1390 OH TYR A 73 1.410 2.333 14.367 1.00 0.00 O ATOM 0 H TYR A 73 -2.033 3.461 10.365 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.641 2.495 9.926 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.014 0.943 11.878 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.059 0.843 10.412 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.111 2.055 13.909 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.679 1.462 10.400 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.066 2.444 15.267 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.373 1.818 11.765 1.00 0.00 H new ATOM 0 HH TYR A 73 2.205 2.247 13.801 1.00 0.00 H new ATOM 1400 N ASP A 74 -6.137 2.879 11.896 1.00 0.00 N ATOM 1401 CA ASP A 74 -7.076 3.222 12.970 1.00 0.00 C ATOM 1402 C ASP A 74 -6.539 2.919 14.386 1.00 0.00 C ATOM 1403 O ASP A 74 -5.970 1.853 14.633 1.00 0.00 O ATOM 1404 CB ASP A 74 -8.430 2.551 12.682 1.00 0.00 C ATOM 1405 CG ASP A 74 -9.481 2.639 13.795 1.00 0.00 C ATOM 1406 OD1 ASP A 74 -9.476 3.607 14.589 1.00 0.00 O ATOM 1407 OD2 ASP A 74 -10.332 1.727 13.866 1.00 0.00 O ATOM 0 H ASP A 74 -6.510 2.192 11.241 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.210 4.304 12.973 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.848 2.998 11.780 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.251 1.498 12.463 1.00 0.00 H new ATOM 1412 N GLU A 75 -6.730 3.840 15.336 1.00 0.00 N ATOM 1413 CA GLU A 75 -6.358 3.652 16.745 1.00 0.00 C ATOM 1414 C GLU A 75 -7.164 2.543 17.451 1.00 0.00 C ATOM 1415 O GLU A 75 -6.665 1.941 18.407 1.00 0.00 O ATOM 1416 CB GLU A 75 -6.481 4.988 17.502 1.00 0.00 C ATOM 1417 CG GLU A 75 -7.906 5.571 17.566 1.00 0.00 C ATOM 1418 CD GLU A 75 -7.983 6.942 18.278 1.00 0.00 C ATOM 1419 OE1 GLU A 75 -6.977 7.423 18.855 1.00 0.00 O ATOM 1420 OE2 GLU A 75 -9.079 7.555 18.270 1.00 0.00 O ATOM 0 H GLU A 75 -7.153 4.749 15.147 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.321 3.317 16.757 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.116 4.847 18.519 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.826 5.719 17.027 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.293 5.675 16.552 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.555 4.865 18.084 1.00 0.00 H new ATOM 1427 N LYS A 76 -8.390 2.249 16.988 1.00 0.00 N ATOM 1428 CA LYS A 76 -9.228 1.145 17.494 1.00 0.00 C ATOM 1429 C LYS A 76 -8.887 -0.186 16.811 1.00 0.00 C ATOM 1430 O LYS A 76 -8.421 -1.109 17.483 1.00 0.00 O ATOM 1431 CB LYS A 76 -10.728 1.480 17.379 1.00 0.00 C ATOM 1432 CG LYS A 76 -11.152 2.820 18.010 1.00 0.00 C ATOM 1433 CD LYS A 76 -10.815 2.988 19.502 1.00 0.00 C ATOM 1434 CE LYS A 76 -11.499 1.925 20.373 1.00 0.00 C ATOM 1435 NZ LYS A 76 -11.226 2.147 21.818 1.00 0.00 N ATOM 0 H LYS A 76 -8.836 2.779 16.239 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.003 1.024 18.554 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.001 1.491 16.324 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.300 0.679 17.848 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.677 3.629 17.455 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.228 2.936 17.884 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.735 2.927 19.638 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.123 3.980 19.833 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.575 1.946 20.197 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.148 0.935 20.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.702 1.412 22.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.201 2.102 21.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.583 3.082 22.099 1.00 0.00 H new ATOM 1449 N GLN A 77 -9.086 -0.293 15.494 1.00 0.00 N ATOM 1450 CA GLN A 77 -8.794 -1.502 14.713 1.00 0.00 C ATOM 1451 C GLN A 77 -7.419 -1.426 14.032 1.00 0.00 C ATOM 1452 O GLN A 77 -7.256 -0.734 13.027 1.00 0.00 O ATOM 1453 CB GLN A 77 -9.896 -1.738 13.664 1.00 0.00 C ATOM 1454 CG GLN A 77 -11.300 -1.986 14.243 1.00 0.00 C ATOM 1455 CD GLN A 77 -11.344 -3.087 15.302 1.00 0.00 C ATOM 1456 OE1 GLN A 77 -11.581 -2.846 16.479 1.00 0.00 O ATOM 1457 NE2 GLN A 77 -10.972 -4.306 14.970 1.00 0.00 N ATOM 0 H GLN A 77 -9.461 0.470 14.930 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.771 -2.343 15.406 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.939 -0.872 13.003 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -9.616 -2.594 13.050 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.672 -1.059 14.680 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.977 -2.249 13.430 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.769 -4.530 13.996 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.887 -5.026 15.687 1.00 0.00 H new ATOM 1466 N GLN A 78 -6.447 -2.219 14.496 1.00 0.00 N ATOM 1467 CA GLN A 78 -5.071 -2.275 13.962 1.00 0.00 C ATOM 1468 C GLN A 78 -4.950 -2.965 12.580 1.00 0.00 C ATOM 1469 O GLN A 78 -3.918 -3.549 12.246 1.00 0.00 O ATOM 1470 CB GLN A 78 -4.134 -2.887 15.023 1.00 0.00 C ATOM 1471 CG GLN A 78 -4.416 -4.372 15.338 1.00 0.00 C ATOM 1472 CD GLN A 78 -3.164 -5.237 15.217 1.00 0.00 C ATOM 1473 OE1 GLN A 78 -2.548 -5.638 16.193 1.00 0.00 O ATOM 1474 NE2 GLN A 78 -2.634 -5.395 14.025 1.00 0.00 N ATOM 0 H GLN A 78 -6.595 -2.860 15.276 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.758 -1.250 13.761 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.104 -2.789 14.681 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.220 -2.310 15.943 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.818 -4.457 16.348 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.181 -4.747 14.658 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.132 -5.067 13.198 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.724 -5.846 13.927 1.00 0.00 H new ATOM 1483 N HIS A 79 -6.021 -2.927 11.787 1.00 0.00 N ATOM 1484 CA HIS A 79 -6.135 -3.479 10.437 1.00 0.00 C ATOM 1485 C HIS A 79 -6.961 -2.584 9.490 1.00 0.00 C ATOM 1486 O HIS A 79 -6.994 -2.856 8.294 1.00 0.00 O ATOM 1487 CB HIS A 79 -6.729 -4.893 10.533 1.00 0.00 C ATOM 1488 CG HIS A 79 -8.159 -4.929 11.017 1.00 0.00 C ATOM 1489 ND1 HIS A 79 -9.275 -4.566 10.295 1.00 0.00 N ATOM 1490 CD2 HIS A 79 -8.595 -5.369 12.238 1.00 0.00 C ATOM 1491 CE1 HIS A 79 -10.355 -4.755 11.070 1.00 0.00 C ATOM 1492 NE2 HIS A 79 -9.992 -5.256 12.265 1.00 0.00 N ATOM 0 H HIS A 79 -6.887 -2.481 12.090 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.138 -3.523 9.998 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.677 -5.365 9.552 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.113 -5.489 11.207 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -9.280 -4.215 9.337 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.972 -5.738 13.039 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -11.371 -4.536 10.776 1.00 0.00 H new ATOM 1500 N ILE A 80 -7.631 -1.530 9.978 1.00 0.00 N ATOM 1501 CA ILE A 80 -8.286 -0.519 9.129 1.00 0.00 C ATOM 1502 C ILE A 80 -7.279 0.603 8.849 1.00 0.00 C ATOM 1503 O ILE A 80 -6.573 1.035 9.760 1.00 0.00 O ATOM 1504 CB ILE A 80 -9.599 -0.001 9.766 1.00 0.00 C ATOM 1505 CG1 ILE A 80 -10.581 -1.178 9.975 1.00 0.00 C ATOM 1506 CG2 ILE A 80 -10.236 1.102 8.897 1.00 0.00 C ATOM 1507 CD1 ILE A 80 -11.936 -0.794 10.585 1.00 0.00 C ATOM 0 H ILE A 80 -7.735 -1.352 10.977 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.584 -0.967 8.181 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.368 0.438 10.737 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.756 -1.660 9.013 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.106 -1.917 10.620 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.157 1.449 9.366 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.541 1.936 8.801 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.461 0.702 7.908 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.553 -1.686 10.692 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.779 -0.342 11.564 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.440 -0.081 9.933 1.00 0.00 H new ATOM 1519 N VAL A 81 -7.212 1.079 7.606 1.00 0.00 N ATOM 1520 CA VAL A 81 -6.283 2.120 7.135 1.00 0.00 C ATOM 1521 C VAL A 81 -7.061 3.305 6.569 1.00 0.00 C ATOM 1522 O VAL A 81 -7.958 3.129 5.743 1.00 0.00 O ATOM 1523 CB VAL A 81 -5.305 1.555 6.086 1.00 0.00 C ATOM 1524 CG1 VAL A 81 -4.318 2.619 5.586 1.00 0.00 C ATOM 1525 CG2 VAL A 81 -4.493 0.382 6.646 1.00 0.00 C ATOM 0 H VAL A 81 -7.826 0.740 6.865 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.695 2.465 7.985 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.925 1.216 5.256 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.648 2.176 4.849 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.869 3.440 5.128 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.734 2.997 6.425 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.815 0.010 5.878 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.916 0.717 7.508 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.170 -0.416 6.950 1.00 0.00 H new ATOM 1535 N TYR A 82 -6.697 4.514 7.002 1.00 0.00 N ATOM 1536 CA TYR A 82 -7.244 5.784 6.526 1.00 0.00 C ATOM 1537 C TYR A 82 -6.405 6.531 5.483 1.00 0.00 C ATOM 1538 O TYR A 82 -5.181 6.605 5.598 1.00 0.00 O ATOM 1539 CB TYR A 82 -7.739 6.657 7.686 1.00 0.00 C ATOM 1540 CG TYR A 82 -9.059 6.184 8.264 1.00 0.00 C ATOM 1541 CD1 TYR A 82 -9.078 5.141 9.211 1.00 0.00 C ATOM 1542 CD2 TYR A 82 -10.269 6.756 7.823 1.00 0.00 C ATOM 1543 CE1 TYR A 82 -10.304 4.664 9.713 1.00 0.00 C ATOM 1544 CE2 TYR A 82 -11.497 6.285 8.328 1.00 0.00 C ATOM 1545 CZ TYR A 82 -11.519 5.236 9.274 1.00 0.00 C ATOM 1546 OH TYR A 82 -12.711 4.782 9.750 1.00 0.00 O ATOM 0 H TYR A 82 -5.985 4.639 7.722 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.120 5.509 5.939 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.986 6.665 8.474 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -7.848 7.684 7.339 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.150 4.706 9.553 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.255 7.556 7.097 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.316 3.860 10.434 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.423 6.727 7.991 1.00 0.00 H new ATOM 0 HH TYR A 82 -13.442 5.291 9.341 1.00 0.00 H new ATOM 1556 N CYS A 83 -7.065 7.078 4.464 1.00 0.00 N ATOM 1557 CA CYS A 83 -6.435 7.665 3.281 1.00 0.00 C ATOM 1558 C CYS A 83 -7.297 8.755 2.608 1.00 0.00 C ATOM 1559 O CYS A 83 -7.392 8.841 1.384 1.00 0.00 O ATOM 1560 CB CYS A 83 -5.963 6.541 2.342 1.00 0.00 C ATOM 1561 SG CYS A 83 -7.258 5.318 1.970 1.00 0.00 S ATOM 0 H CYS A 83 -8.083 7.127 4.437 1.00 0.00 H new ATOM 0 HA CYS A 83 -5.548 8.218 3.590 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -5.611 6.981 1.409 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -5.113 6.032 2.796 1.00 0.00 H new ATOM 0 HG CYS A 83 -8.083 5.812 1.095 1.00 0.00 H new ATOM 1567 N SER A 84 -7.992 9.576 3.402 1.00 0.00 N ATOM 1568 CA SER A 84 -8.862 10.641 2.886 1.00 0.00 C ATOM 1569 C SER A 84 -8.055 11.793 2.265 1.00 0.00 C ATOM 1570 O SER A 84 -7.249 12.437 2.943 1.00 0.00 O ATOM 1571 CB SER A 84 -9.788 11.153 3.994 1.00 0.00 C ATOM 1572 OG SER A 84 -10.681 12.123 3.473 1.00 0.00 O ATOM 0 H SER A 84 -7.968 9.522 4.420 1.00 0.00 H new ATOM 0 HA SER A 84 -9.471 10.215 2.089 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.350 10.323 4.422 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.197 11.587 4.801 1.00 0.00 H new ATOM 0 HG SER A 84 -11.270 12.443 4.188 1.00 0.00 H new ATOM 1578 N ASN A 85 -8.294 12.065 0.976 1.00 0.00 N ATOM 1579 CA ASN A 85 -7.758 13.204 0.211 1.00 0.00 C ATOM 1580 C ASN A 85 -6.212 13.347 0.201 1.00 0.00 C ATOM 1581 O ASN A 85 -5.685 14.458 0.099 1.00 0.00 O ATOM 1582 CB ASN A 85 -8.510 14.495 0.610 1.00 0.00 C ATOM 1583 CG ASN A 85 -10.009 14.444 0.348 1.00 0.00 C ATOM 1584 OD1 ASN A 85 -10.501 13.776 -0.554 1.00 0.00 O ATOM 1585 ND2 ASN A 85 -10.788 15.198 1.093 1.00 0.00 N ATOM 0 H ASN A 85 -8.896 11.469 0.408 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.956 12.994 -0.840 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.343 14.688 1.670 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -8.084 15.336 0.062 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -11.792 15.223 0.918 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -10.388 15.757 1.846 1.00 0.00 H new ATOM 1592 N ASP A 86 -5.477 12.235 0.308 1.00 0.00 N ATOM 1593 CA ASP A 86 -4.003 12.176 0.282 1.00 0.00 C ATOM 1594 C ASP A 86 -3.437 11.301 -0.859 1.00 0.00 C ATOM 1595 O ASP A 86 -4.188 10.745 -1.665 1.00 0.00 O ATOM 1596 CB ASP A 86 -3.462 11.796 1.676 1.00 0.00 C ATOM 1597 CG ASP A 86 -3.986 10.457 2.219 1.00 0.00 C ATOM 1598 OD1 ASP A 86 -4.161 9.509 1.420 1.00 0.00 O ATOM 1599 OD2 ASP A 86 -4.163 10.346 3.455 1.00 0.00 O ATOM 0 H ASP A 86 -5.903 11.315 0.419 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.638 13.175 0.046 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -2.374 11.754 1.631 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.722 12.586 2.381 1.00 0.00 H new ATOM 1604 N LEU A 87 -2.105 11.179 -0.947 1.00 0.00 N ATOM 1605 CA LEU A 87 -1.412 10.362 -1.955 1.00 0.00 C ATOM 1606 C LEU A 87 -1.880 8.893 -1.961 1.00 0.00 C ATOM 1607 O LEU A 87 -2.078 8.309 -3.029 1.00 0.00 O ATOM 1608 CB LEU A 87 0.106 10.481 -1.709 1.00 0.00 C ATOM 1609 CG LEU A 87 0.996 9.619 -2.627 1.00 0.00 C ATOM 1610 CD1 LEU A 87 0.813 9.960 -4.105 1.00 0.00 C ATOM 1611 CD2 LEU A 87 2.462 9.855 -2.272 1.00 0.00 C ATOM 0 H LEU A 87 -1.467 11.654 -0.308 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.659 10.740 -2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.395 11.525 -1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.311 10.209 -0.674 1.00 0.00 H new ATOM 0 HG LEU A 87 0.704 8.580 -2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.462 9.325 -4.708 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.225 9.793 -4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.072 11.006 -4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.095 9.248 -2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.705 10.908 -2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.634 9.578 -1.232 1.00 0.00 H new ATOM 1623 N LEU A 88 -2.102 8.301 -0.784 1.00 0.00 N ATOM 1624 CA LEU A 88 -2.606 6.932 -0.657 1.00 0.00 C ATOM 1625 C LEU A 88 -4.080 6.807 -1.084 1.00 0.00 C ATOM 1626 O LEU A 88 -4.468 5.808 -1.690 1.00 0.00 O ATOM 1627 CB LEU A 88 -2.361 6.443 0.780 1.00 0.00 C ATOM 1628 CG LEU A 88 -2.690 4.954 0.986 1.00 0.00 C ATOM 1629 CD1 LEU A 88 -1.783 4.058 0.141 1.00 0.00 C ATOM 1630 CD2 LEU A 88 -2.473 4.573 2.446 1.00 0.00 C ATOM 0 H LEU A 88 -1.936 8.761 0.111 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.059 6.287 -1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.317 6.616 1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.964 7.038 1.466 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.729 4.810 0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.043 3.013 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.915 4.298 -0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.743 4.224 0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.708 3.518 2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.433 4.753 2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.123 5.176 3.080 1.00 0.00 H new ATOM 1642 N GLY A 89 -4.888 7.841 -0.839 1.00 0.00 N ATOM 1643 CA GLY A 89 -6.260 7.955 -1.341 1.00 0.00 C ATOM 1644 C GLY A 89 -6.335 8.067 -2.864 1.00 0.00 C ATOM 1645 O GLY A 89 -7.174 7.419 -3.491 1.00 0.00 O ATOM 0 H GLY A 89 -4.601 8.640 -0.274 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.832 7.085 -1.018 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.732 8.830 -0.895 1.00 0.00 H new ATOM 1649 N ASP A 90 -5.421 8.822 -3.474 1.00 0.00 N ATOM 1650 CA ASP A 90 -5.275 8.911 -4.930 1.00 0.00 C ATOM 1651 C ASP A 90 -4.827 7.608 -5.614 1.00 0.00 C ATOM 1652 O ASP A 90 -5.177 7.347 -6.767 1.00 0.00 O ATOM 1653 CB ASP A 90 -4.388 10.106 -5.321 1.00 0.00 C ATOM 1654 CG ASP A 90 -5.046 11.492 -5.163 1.00 0.00 C ATOM 1655 OD1 ASP A 90 -6.285 11.597 -4.990 1.00 0.00 O ATOM 1656 OD2 ASP A 90 -4.312 12.505 -5.268 1.00 0.00 O ATOM 0 H ASP A 90 -4.751 9.398 -2.965 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.280 9.083 -5.315 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.483 10.080 -4.714 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.079 9.984 -6.359 1.00 0.00 H new ATOM 1661 N LEU A 91 -4.094 6.765 -4.877 1.00 0.00 N ATOM 1662 CA LEU A 91 -3.720 5.408 -5.272 1.00 0.00 C ATOM 1663 C LEU A 91 -4.889 4.415 -5.133 1.00 0.00 C ATOM 1664 O LEU A 91 -5.318 3.834 -6.132 1.00 0.00 O ATOM 1665 CB LEU A 91 -2.515 4.958 -4.429 1.00 0.00 C ATOM 1666 CG LEU A 91 -1.174 5.559 -4.873 1.00 0.00 C ATOM 1667 CD1 LEU A 91 -0.125 5.245 -3.822 1.00 0.00 C ATOM 1668 CD2 LEU A 91 -0.722 4.980 -6.212 1.00 0.00 C ATOM 0 H LEU A 91 -3.734 7.021 -3.958 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.451 5.419 -6.328 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.694 5.227 -3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.444 3.871 -4.469 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.299 6.636 -4.989 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.833 5.667 -4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.425 5.678 -2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.028 4.164 -3.716 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.230 5.426 -6.498 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.604 3.900 -6.120 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.469 5.200 -6.974 1.00 0.00 H new ATOM 1680 N PHE A 92 -5.404 4.208 -3.915 1.00 0.00 N ATOM 1681 CA PHE A 92 -6.485 3.250 -3.647 1.00 0.00 C ATOM 1682 C PHE A 92 -7.898 3.609 -4.143 1.00 0.00 C ATOM 1683 O PHE A 92 -8.742 2.729 -4.314 1.00 0.00 O ATOM 1684 CB PHE A 92 -6.448 2.726 -2.196 1.00 0.00 C ATOM 1685 CG PHE A 92 -5.377 1.688 -1.881 1.00 0.00 C ATOM 1686 CD1 PHE A 92 -5.316 0.489 -2.616 1.00 0.00 C ATOM 1687 CD2 PHE A 92 -4.480 1.882 -0.813 1.00 0.00 C ATOM 1688 CE1 PHE A 92 -4.350 -0.492 -2.321 1.00 0.00 C ATOM 1689 CE2 PHE A 92 -3.533 0.889 -0.494 1.00 0.00 C ATOM 1690 CZ PHE A 92 -3.463 -0.291 -1.253 1.00 0.00 C ATOM 0 H PHE A 92 -5.081 4.702 -3.083 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.245 2.419 -4.310 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.308 3.576 -1.528 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.422 2.295 -1.963 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.020 0.319 -3.417 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.518 2.795 -0.237 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.292 -1.393 -2.913 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.859 1.035 0.337 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.726 -1.044 -1.014 1.00 0.00 H new ATOM 1700 N GLY A 93 -8.163 4.893 -4.407 1.00 0.00 N ATOM 1701 CA GLY A 93 -9.455 5.389 -4.902 1.00 0.00 C ATOM 1702 C GLY A 93 -10.571 5.441 -3.847 1.00 0.00 C ATOM 1703 O GLY A 93 -11.749 5.483 -4.208 1.00 0.00 O ATOM 0 H GLY A 93 -7.472 5.633 -4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.312 6.390 -5.309 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.781 4.753 -5.725 1.00 0.00 H new ATOM 1707 N VAL A 94 -10.220 5.421 -2.555 1.00 0.00 N ATOM 1708 CA VAL A 94 -11.151 5.364 -1.407 1.00 0.00 C ATOM 1709 C VAL A 94 -10.607 6.214 -0.243 1.00 0.00 C ATOM 1710 O VAL A 94 -9.392 6.388 -0.126 1.00 0.00 O ATOM 1711 CB VAL A 94 -11.345 3.916 -0.899 1.00 0.00 C ATOM 1712 CG1 VAL A 94 -12.259 3.112 -1.825 1.00 0.00 C ATOM 1713 CG2 VAL A 94 -10.040 3.132 -0.701 1.00 0.00 C ATOM 0 H VAL A 94 -9.243 5.445 -2.263 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.110 5.751 -1.751 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.805 4.038 0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.372 2.100 -1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.236 3.592 -1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.821 3.071 -2.822 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -10.269 2.128 -0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.507 3.067 -1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.416 3.644 0.031 1.00 0.00 H new ATOM 1723 N PRO A 95 -11.483 6.720 0.651 1.00 0.00 N ATOM 1724 CA PRO A 95 -11.085 7.432 1.873 1.00 0.00 C ATOM 1725 C PRO A 95 -10.539 6.508 2.979 1.00 0.00 C ATOM 1726 O PRO A 95 -9.852 6.980 3.887 1.00 0.00 O ATOM 1727 CB PRO A 95 -12.362 8.139 2.339 1.00 0.00 C ATOM 1728 CG PRO A 95 -13.471 7.195 1.874 1.00 0.00 C ATOM 1729 CD PRO A 95 -12.938 6.686 0.540 1.00 0.00 C ATOM 0 HA PRO A 95 -10.262 8.115 1.664 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.376 8.275 3.420 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.461 9.128 1.892 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.634 6.382 2.582 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.423 7.714 1.759 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.291 5.674 0.339 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.282 7.313 -0.283 1.00 0.00 H new ATOM 1737 N SER A 96 -10.841 5.207 2.925 1.00 0.00 N ATOM 1738 CA SER A 96 -10.351 4.172 3.848 1.00 0.00 C ATOM 1739 C SER A 96 -10.546 2.762 3.270 1.00 0.00 C ATOM 1740 O SER A 96 -11.363 2.559 2.365 1.00 0.00 O ATOM 1741 CB SER A 96 -11.056 4.278 5.210 1.00 0.00 C ATOM 1742 OG SER A 96 -12.455 4.067 5.095 1.00 0.00 O ATOM 0 H SER A 96 -11.459 4.828 2.208 1.00 0.00 H new ATOM 0 HA SER A 96 -9.283 4.341 3.985 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.633 3.545 5.897 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.871 5.262 5.640 1.00 0.00 H new ATOM 0 HG SER A 96 -12.871 4.140 5.980 1.00 0.00 H new ATOM 1748 N PHE A 97 -9.812 1.777 3.795 1.00 0.00 N ATOM 1749 CA PHE A 97 -9.946 0.355 3.440 1.00 0.00 C ATOM 1750 C PHE A 97 -9.485 -0.494 4.648 1.00 0.00 C ATOM 1751 O PHE A 97 -9.011 0.041 5.654 1.00 0.00 O ATOM 1752 CB PHE A 97 -9.086 0.071 2.191 1.00 0.00 C ATOM 1753 CG PHE A 97 -7.582 0.049 2.403 1.00 0.00 C ATOM 1754 CD1 PHE A 97 -6.822 1.232 2.318 1.00 0.00 C ATOM 1755 CD2 PHE A 97 -6.938 -1.174 2.667 1.00 0.00 C ATOM 1756 CE1 PHE A 97 -5.426 1.189 2.498 1.00 0.00 C ATOM 1757 CE2 PHE A 97 -5.549 -1.210 2.860 1.00 0.00 C ATOM 1758 CZ PHE A 97 -4.791 -0.035 2.775 1.00 0.00 C ATOM 0 H PHE A 97 -9.090 1.947 4.495 1.00 0.00 H new ATOM 0 HA PHE A 97 -10.980 0.100 3.208 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -9.388 -0.892 1.779 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -9.315 0.826 1.439 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.311 2.173 2.114 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -7.514 -2.086 2.721 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.843 2.095 2.423 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.061 -2.149 3.075 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.722 -0.069 2.922 1.00 0.00 H new ATOM 1768 N SER A 98 -9.621 -1.823 4.566 1.00 0.00 N ATOM 1769 CA SER A 98 -9.220 -2.754 5.635 1.00 0.00 C ATOM 1770 C SER A 98 -8.350 -3.907 5.129 1.00 0.00 C ATOM 1771 O SER A 98 -8.696 -4.607 4.177 1.00 0.00 O ATOM 1772 CB SER A 98 -10.455 -3.286 6.363 1.00 0.00 C ATOM 1773 OG SER A 98 -10.083 -4.158 7.419 1.00 0.00 O ATOM 0 H SER A 98 -10.016 -2.290 3.749 1.00 0.00 H new ATOM 0 HA SER A 98 -8.604 -2.189 6.334 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.035 -2.453 6.761 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.098 -3.814 5.659 1.00 0.00 H new ATOM 0 HG SER A 98 -10.888 -4.485 7.872 1.00 0.00 H new ATOM 1779 N VAL A 99 -7.232 -4.141 5.821 1.00 0.00 N ATOM 1780 CA VAL A 99 -6.317 -5.279 5.635 1.00 0.00 C ATOM 1781 C VAL A 99 -6.860 -6.628 6.137 1.00 0.00 C ATOM 1782 O VAL A 99 -6.239 -7.671 5.931 1.00 0.00 O ATOM 1783 CB VAL A 99 -4.876 -4.966 6.114 1.00 0.00 C ATOM 1784 CG1 VAL A 99 -3.813 -5.709 5.295 1.00 0.00 C ATOM 1785 CG2 VAL A 99 -4.479 -3.486 6.012 1.00 0.00 C ATOM 0 H VAL A 99 -6.922 -3.514 6.563 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.253 -5.418 4.556 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.901 -5.284 7.156 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.822 -5.456 5.670 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.971 -6.784 5.384 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.890 -5.416 4.248 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.457 -3.358 6.368 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.545 -3.162 4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.153 -2.886 6.623 1.00 0.00 H new ATOM 1795 N LYS A 100 -8.057 -6.632 6.743 1.00 0.00 N ATOM 1796 CA LYS A 100 -8.819 -7.850 7.081 1.00 0.00 C ATOM 1797 C LYS A 100 -9.281 -8.614 5.828 1.00 0.00 C ATOM 1798 O LYS A 100 -9.404 -9.836 5.860 1.00 0.00 O ATOM 1799 CB LYS A 100 -10.028 -7.433 7.945 1.00 0.00 C ATOM 1800 CG LYS A 100 -10.858 -8.585 8.544 1.00 0.00 C ATOM 1801 CD LYS A 100 -10.117 -9.433 9.593 1.00 0.00 C ATOM 1802 CE LYS A 100 -9.651 -8.641 10.827 1.00 0.00 C ATOM 1803 NZ LYS A 100 -10.787 -8.128 11.639 1.00 0.00 N ATOM 0 H LYS A 100 -8.534 -5.774 7.018 1.00 0.00 H new ATOM 0 HA LYS A 100 -8.172 -8.533 7.632 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.667 -6.808 8.762 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.688 -6.814 7.337 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.756 -8.169 9.001 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.186 -9.238 7.735 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.772 -10.241 9.919 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -9.249 -9.896 9.123 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.024 -9.280 11.449 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.032 -7.804 10.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.600 -7.143 11.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -11.662 -8.171 11.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.894 -8.711 12.493 1.00 0.00 H new ATOM 1817 N GLU A 101 -9.524 -7.900 4.724 1.00 0.00 N ATOM 1818 CA GLU A 101 -10.078 -8.427 3.469 1.00 0.00 C ATOM 1819 C GLU A 101 -9.093 -8.309 2.291 1.00 0.00 C ATOM 1820 O GLU A 101 -9.254 -7.489 1.383 1.00 0.00 O ATOM 1821 CB GLU A 101 -11.467 -7.824 3.183 1.00 0.00 C ATOM 1822 CG GLU A 101 -11.555 -6.287 3.270 1.00 0.00 C ATOM 1823 CD GLU A 101 -12.864 -5.721 2.692 1.00 0.00 C ATOM 1824 OE1 GLU A 101 -13.557 -6.407 1.901 1.00 0.00 O ATOM 1825 OE2 GLU A 101 -13.203 -4.554 2.999 1.00 0.00 O ATOM 0 H GLU A 101 -9.333 -6.899 4.677 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.227 -9.499 3.594 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -11.779 -8.132 2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -12.181 -8.252 3.887 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.464 -5.983 4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.711 -5.850 2.736 1.00 0.00 H new ATOM 1832 N HIS A 102 -8.077 -9.179 2.280 1.00 0.00 N ATOM 1833 CA HIS A 102 -7.020 -9.223 1.256 1.00 0.00 C ATOM 1834 C HIS A 102 -7.566 -9.249 -0.187 1.00 0.00 C ATOM 1835 O HIS A 102 -7.001 -8.604 -1.069 1.00 0.00 O ATOM 1836 CB HIS A 102 -6.132 -10.453 1.509 1.00 0.00 C ATOM 1837 CG HIS A 102 -5.593 -10.573 2.917 1.00 0.00 C ATOM 1838 ND1 HIS A 102 -4.733 -9.701 3.546 1.00 0.00 N ATOM 1839 CD2 HIS A 102 -5.774 -11.634 3.765 1.00 0.00 C ATOM 1840 CE1 HIS A 102 -4.420 -10.209 4.749 1.00 0.00 C ATOM 1841 NE2 HIS A 102 -5.036 -11.390 4.932 1.00 0.00 N ATOM 0 H HIS A 102 -7.962 -9.892 3.001 1.00 0.00 H new ATOM 0 HA HIS A 102 -6.442 -8.303 1.344 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -6.706 -11.350 1.278 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -5.292 -10.425 0.815 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -6.380 -12.506 3.569 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -3.767 -9.736 5.467 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -4.978 -11.989 5.756 1.00 0.00 H new ATOM 1849 N ARG A 103 -8.718 -9.905 -0.413 1.00 0.00 N ATOM 1850 CA ARG A 103 -9.457 -9.944 -1.695 1.00 0.00 C ATOM 1851 C ARG A 103 -9.717 -8.568 -2.318 1.00 0.00 C ATOM 1852 O ARG A 103 -9.635 -8.428 -3.539 1.00 0.00 O ATOM 1853 CB ARG A 103 -10.778 -10.734 -1.514 1.00 0.00 C ATOM 1854 CG ARG A 103 -11.757 -10.219 -0.433 1.00 0.00 C ATOM 1855 CD ARG A 103 -12.859 -9.293 -0.968 1.00 0.00 C ATOM 1856 NE ARG A 103 -13.657 -8.717 0.135 1.00 0.00 N ATOM 1857 CZ ARG A 103 -14.806 -9.143 0.622 1.00 0.00 C ATOM 1858 NH1 ARG A 103 -15.400 -10.230 0.214 1.00 0.00 N ATOM 1859 NH2 ARG A 103 -15.374 -8.448 1.559 1.00 0.00 N ATOM 0 H ARG A 103 -9.181 -10.445 0.319 1.00 0.00 H new ATOM 0 HA ARG A 103 -8.811 -10.456 -2.408 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -11.302 -10.743 -2.470 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -10.526 -11.768 -1.279 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -12.223 -11.075 0.056 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -11.190 -9.686 0.330 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -12.410 -8.490 -1.553 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -13.512 -9.851 -1.640 1.00 0.00 H new ATOM 0 HE ARG A 103 -13.269 -7.883 0.576 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -14.976 -10.799 -0.519 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -16.289 -10.511 0.628 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -14.931 -7.595 1.901 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -16.263 -8.755 1.954 1.00 0.00 H new ATOM 1873 N LYS A 104 -10.007 -7.551 -1.498 1.00 0.00 N ATOM 1874 CA LYS A 104 -10.279 -6.178 -1.954 1.00 0.00 C ATOM 1875 C LYS A 104 -8.984 -5.434 -2.278 1.00 0.00 C ATOM 1876 O LYS A 104 -8.903 -4.750 -3.295 1.00 0.00 O ATOM 1877 CB LYS A 104 -11.134 -5.462 -0.893 1.00 0.00 C ATOM 1878 CG LYS A 104 -11.547 -4.042 -1.319 1.00 0.00 C ATOM 1879 CD LYS A 104 -12.471 -3.367 -0.294 1.00 0.00 C ATOM 1880 CE LYS A 104 -13.876 -3.986 -0.287 1.00 0.00 C ATOM 1881 NZ LYS A 104 -14.667 -3.512 0.874 1.00 0.00 N ATOM 0 H LYS A 104 -10.061 -7.657 -0.485 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.844 -6.201 -2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -12.029 -6.052 -0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.575 -5.408 0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.654 -3.432 -1.455 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.052 -4.088 -2.284 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -12.033 -3.453 0.700 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -12.545 -2.303 -0.519 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -14.393 -3.730 -1.211 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -13.797 -5.073 -0.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -15.611 -3.947 0.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -14.184 -3.779 1.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -14.762 -2.477 0.830 1.00 0.00 H new ATOM 1895 N ILE A 105 -7.947 -5.614 -1.459 1.00 0.00 N ATOM 1896 CA ILE A 105 -6.627 -5.012 -1.691 1.00 0.00 C ATOM 1897 C ILE A 105 -5.978 -5.583 -2.956 1.00 0.00 C ATOM 1898 O ILE A 105 -5.477 -4.812 -3.770 1.00 0.00 O ATOM 1899 CB ILE A 105 -5.724 -5.155 -0.447 1.00 0.00 C ATOM 1900 CG1 ILE A 105 -6.341 -4.356 0.724 1.00 0.00 C ATOM 1901 CG2 ILE A 105 -4.292 -4.662 -0.736 1.00 0.00 C ATOM 1902 CD1 ILE A 105 -5.650 -4.598 2.066 1.00 0.00 C ATOM 0 H ILE A 105 -7.996 -6.182 -0.613 1.00 0.00 H new ATOM 0 HA ILE A 105 -6.761 -3.944 -1.860 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.661 -6.210 -0.179 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.297 -3.292 0.489 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.395 -4.619 0.816 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.680 -4.776 0.159 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.861 -5.250 -1.547 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.320 -3.611 -1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.138 -4.004 2.839 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.717 -5.655 2.324 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -4.602 -4.308 1.993 1.00 0.00 H new ATOM 1914 N TYR A 106 -6.037 -6.900 -3.181 1.00 0.00 N ATOM 1915 CA TYR A 106 -5.413 -7.530 -4.348 1.00 0.00 C ATOM 1916 C TYR A 106 -5.855 -6.987 -5.715 1.00 0.00 C ATOM 1917 O TYR A 106 -5.016 -6.707 -6.573 1.00 0.00 O ATOM 1918 CB TYR A 106 -5.532 -9.059 -4.294 1.00 0.00 C ATOM 1919 CG TYR A 106 -4.738 -9.799 -3.224 1.00 0.00 C ATOM 1920 CD1 TYR A 106 -3.427 -9.415 -2.863 1.00 0.00 C ATOM 1921 CD2 TYR A 106 -5.320 -10.932 -2.619 1.00 0.00 C ATOM 1922 CE1 TYR A 106 -2.719 -10.140 -1.884 1.00 0.00 C ATOM 1923 CE2 TYR A 106 -4.604 -11.673 -1.661 1.00 0.00 C ATOM 1924 CZ TYR A 106 -3.308 -11.276 -1.285 1.00 0.00 C ATOM 1925 OH TYR A 106 -2.639 -12.007 -0.358 1.00 0.00 O ATOM 0 H TYR A 106 -6.516 -7.555 -2.563 1.00 0.00 H new ATOM 0 HA TYR A 106 -4.363 -7.247 -4.270 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.585 -9.308 -4.161 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -5.232 -9.452 -5.265 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -2.966 -8.562 -3.339 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -6.321 -11.233 -2.892 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.727 -9.828 -1.592 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -5.050 -12.549 -1.213 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.703 -11.718 -0.327 1.00 0.00 H new ATOM 1935 N THR A 107 -7.161 -6.765 -5.901 1.00 0.00 N ATOM 1936 CA THR A 107 -7.698 -6.131 -7.120 1.00 0.00 C ATOM 1937 C THR A 107 -7.291 -4.667 -7.328 1.00 0.00 C ATOM 1938 O THR A 107 -7.014 -4.233 -8.450 1.00 0.00 O ATOM 1939 CB THR A 107 -9.205 -6.397 -7.293 1.00 0.00 C ATOM 1940 OG1 THR A 107 -9.530 -6.403 -8.666 1.00 0.00 O ATOM 1941 CG2 THR A 107 -10.108 -5.362 -6.623 1.00 0.00 C ATOM 0 H THR A 107 -7.875 -7.016 -5.218 1.00 0.00 H new ATOM 0 HA THR A 107 -7.198 -6.635 -7.948 1.00 0.00 H new ATOM 0 HB THR A 107 -9.384 -7.359 -6.813 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.489 -6.574 -8.774 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.152 -5.625 -6.794 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.909 -5.345 -5.551 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.908 -4.377 -7.045 1.00 0.00 H new ATOM 1949 N MET A 108 -7.160 -3.906 -6.235 1.00 0.00 N ATOM 1950 CA MET A 108 -6.656 -2.529 -6.280 1.00 0.00 C ATOM 1951 C MET A 108 -5.138 -2.464 -6.515 1.00 0.00 C ATOM 1952 O MET A 108 -4.682 -1.609 -7.270 1.00 0.00 O ATOM 1953 CB MET A 108 -7.042 -1.765 -5.008 1.00 0.00 C ATOM 1954 CG MET A 108 -8.559 -1.664 -4.809 1.00 0.00 C ATOM 1955 SD MET A 108 -9.104 -0.557 -3.472 1.00 0.00 S ATOM 1956 CE MET A 108 -8.401 -1.358 -2.004 1.00 0.00 C ATOM 0 H MET A 108 -7.400 -4.227 -5.297 1.00 0.00 H new ATOM 0 HA MET A 108 -7.130 -2.048 -7.135 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.600 -2.261 -4.144 1.00 0.00 H new ATOM 0 HB3 MET A 108 -6.619 -0.761 -5.051 1.00 0.00 H new ATOM 0 HG2 MET A 108 -9.008 -1.325 -5.743 1.00 0.00 H new ATOM 0 HG3 MET A 108 -8.949 -2.663 -4.611 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.690 -0.802 -1.112 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.776 -2.379 -1.932 1.00 0.00 H new ATOM 0 HE3 MET A 108 -7.314 -1.375 -2.084 1.00 0.00 H new ATOM 1966 N MET A 109 -4.357 -3.395 -5.954 1.00 0.00 N ATOM 1967 CA MET A 109 -2.921 -3.538 -6.245 1.00 0.00 C ATOM 1968 C MET A 109 -2.676 -3.933 -7.705 1.00 0.00 C ATOM 1969 O MET A 109 -1.800 -3.366 -8.357 1.00 0.00 O ATOM 1970 CB MET A 109 -2.269 -4.570 -5.307 1.00 0.00 C ATOM 1971 CG MET A 109 -2.144 -4.090 -3.855 1.00 0.00 C ATOM 1972 SD MET A 109 -1.209 -2.558 -3.581 1.00 0.00 S ATOM 1973 CE MET A 109 0.438 -2.991 -4.214 1.00 0.00 C ATOM 0 H MET A 109 -4.704 -4.077 -5.280 1.00 0.00 H new ATOM 0 HA MET A 109 -2.462 -2.564 -6.074 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.856 -5.488 -5.328 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.277 -4.817 -5.686 1.00 0.00 H new ATOM 0 HG2 MET A 109 -3.148 -3.952 -3.454 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.675 -4.884 -3.273 1.00 0.00 H new ATOM 0 HE1 MET A 109 1.197 -2.679 -3.496 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.499 -4.069 -4.362 1.00 0.00 H new ATOM 0 HE3 MET A 109 0.607 -2.485 -5.164 1.00 0.00 H new ATOM 1983 N ALA A 110 -3.493 -4.835 -8.259 1.00 0.00 N ATOM 1984 CA ALA A 110 -3.476 -5.160 -9.686 1.00 0.00 C ATOM 1985 C ALA A 110 -3.781 -3.923 -10.559 1.00 0.00 C ATOM 1986 O ALA A 110 -3.132 -3.712 -11.583 1.00 0.00 O ATOM 1987 CB ALA A 110 -4.476 -6.299 -9.924 1.00 0.00 C ATOM 0 H ALA A 110 -4.186 -5.361 -7.727 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.478 -5.485 -9.981 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.483 -6.562 -10.982 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.183 -7.169 -9.336 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.473 -5.977 -9.623 1.00 0.00 H new ATOM 1993 N SER A 111 -4.689 -3.047 -10.117 1.00 0.00 N ATOM 1994 CA SER A 111 -5.006 -1.764 -10.775 1.00 0.00 C ATOM 1995 C SER A 111 -3.896 -0.695 -10.677 1.00 0.00 C ATOM 1996 O SER A 111 -4.005 0.363 -11.303 1.00 0.00 O ATOM 1997 CB SER A 111 -6.326 -1.199 -10.232 1.00 0.00 C ATOM 1998 OG SER A 111 -7.409 -2.078 -10.501 1.00 0.00 O ATOM 0 H SER A 111 -5.239 -3.209 -9.273 1.00 0.00 H new ATOM 0 HA SER A 111 -5.097 -1.999 -11.835 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.242 -1.040 -9.157 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.522 -0.227 -10.684 1.00 0.00 H new ATOM 0 HG SER A 111 -7.378 -2.835 -9.879 1.00 0.00 H new ATOM 2004 N MET A 112 -2.817 -0.946 -9.923 1.00 0.00 N ATOM 2005 CA MET A 112 -1.604 -0.106 -9.887 1.00 0.00 C ATOM 2006 C MET A 112 -0.496 -0.562 -10.854 1.00 0.00 C ATOM 2007 O MET A 112 0.520 0.125 -10.984 1.00 0.00 O ATOM 2008 CB MET A 112 -1.058 0.004 -8.456 1.00 0.00 C ATOM 2009 CG MET A 112 -2.048 0.684 -7.508 1.00 0.00 C ATOM 2010 SD MET A 112 -1.495 0.761 -5.786 1.00 0.00 S ATOM 2011 CE MET A 112 -3.082 1.148 -5.015 1.00 0.00 C ATOM 0 H MET A 112 -2.758 -1.756 -9.306 1.00 0.00 H new ATOM 0 HA MET A 112 -1.918 0.878 -10.234 1.00 0.00 H new ATOM 0 HB2 MET A 112 -0.825 -0.992 -8.081 1.00 0.00 H new ATOM 0 HB3 MET A 112 -0.125 0.567 -8.468 1.00 0.00 H new ATOM 0 HG2 MET A 112 -2.236 1.697 -7.863 1.00 0.00 H new ATOM 0 HG3 MET A 112 -2.998 0.151 -7.549 1.00 0.00 H new ATOM 0 HE1 MET A 112 -2.920 1.446 -3.979 1.00 0.00 H new ATOM 0 HE2 MET A 112 -3.560 1.964 -5.557 1.00 0.00 H new ATOM 0 HE3 MET A 112 -3.724 0.268 -5.043 1.00 0.00 H new ATOM 2021 N THR A 113 -0.678 -1.699 -11.532 1.00 0.00 N ATOM 2022 CA THR A 113 0.289 -2.304 -12.471 1.00 0.00 C ATOM 2023 C THR A 113 -0.284 -2.677 -13.844 1.00 0.00 C ATOM 2024 O THR A 113 0.348 -2.421 -14.872 1.00 0.00 O ATOM 2025 CB THR A 113 1.114 -3.442 -11.833 1.00 0.00 C ATOM 2026 OG1 THR A 113 0.447 -4.674 -11.987 1.00 0.00 O ATOM 2027 CG2 THR A 113 1.399 -3.279 -10.337 1.00 0.00 C ATOM 0 H THR A 113 -1.533 -2.249 -11.443 1.00 0.00 H new ATOM 0 HA THR A 113 0.988 -1.496 -12.689 1.00 0.00 H new ATOM 0 HB THR A 113 2.067 -3.407 -12.360 1.00 0.00 H new ATOM 0 HG1 THR A 113 0.981 -5.388 -11.580 1.00 0.00 H new ATOM 0 HG21 THR A 113 1.984 -4.128 -9.983 1.00 0.00 H new ATOM 0 HG22 THR A 113 1.959 -2.359 -10.171 1.00 0.00 H new ATOM 0 HG23 THR A 113 0.457 -3.234 -9.790 1.00 0.00 H new ATOM 2035 N GLY A 114 -1.509 -3.211 -13.872 1.00 0.00 N ATOM 2036 CA GLY A 114 -2.328 -3.426 -15.068 1.00 0.00 C ATOM 2037 C GLY A 114 -3.272 -2.248 -15.366 1.00 0.00 C ATOM 2038 O GLY A 114 -3.298 -1.245 -14.646 1.00 0.00 O ATOM 0 H GLY A 114 -1.978 -3.520 -13.021 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -1.675 -3.588 -15.925 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.917 -4.334 -14.940 1.00 0.00 H new ATOM 2042 N GLY A 115 -4.071 -2.383 -16.429 1.00 0.00 N ATOM 2043 CA GLY A 115 -5.005 -1.347 -16.901 1.00 0.00 C ATOM 2044 C GLY A 115 -4.330 -0.159 -17.607 1.00 0.00 C ATOM 2045 O GLY A 115 -3.106 -0.117 -17.769 1.00 0.00 O ATOM 0 H GLY A 115 -4.090 -3.229 -16.998 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.719 -1.804 -17.586 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.574 -0.973 -16.050 1.00 0.00 H new ATOM 2049 N GLN A 116 -5.137 0.805 -18.058 1.00 0.00 N ATOM 2050 CA GLN A 116 -4.655 2.015 -18.742 1.00 0.00 C ATOM 2051 C GLN A 116 -4.049 3.056 -17.779 1.00 0.00 C ATOM 2052 O GLN A 116 -4.351 3.083 -16.582 1.00 0.00 O ATOM 2053 CB GLN A 116 -5.781 2.641 -19.591 1.00 0.00 C ATOM 2054 CG GLN A 116 -6.966 3.216 -18.786 1.00 0.00 C ATOM 2055 CD GLN A 116 -7.756 4.258 -19.578 1.00 0.00 C ATOM 2056 OE1 GLN A 116 -8.806 3.984 -20.146 1.00 0.00 O ATOM 2057 NE2 GLN A 116 -7.210 5.438 -19.797 1.00 0.00 N ATOM 0 H GLN A 116 -6.152 0.770 -17.960 1.00 0.00 H new ATOM 0 HA GLN A 116 -3.845 1.700 -19.399 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -5.355 3.438 -20.200 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -6.161 1.884 -20.277 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -7.632 2.404 -18.494 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -6.593 3.668 -17.867 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -6.336 5.689 -19.335 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -7.662 6.100 -20.428 1.00 0.00 H new ATOM 2066 N GLN A 117 -3.224 3.950 -18.330 1.00 0.00 N ATOM 2067 CA GLN A 117 -2.736 5.165 -17.662 1.00 0.00 C ATOM 2068 C GLN A 117 -3.672 6.362 -17.941 1.00 0.00 C ATOM 2069 O GLN A 117 -4.587 6.277 -18.768 1.00 0.00 O ATOM 2070 CB GLN A 117 -1.291 5.453 -18.107 1.00 0.00 C ATOM 2071 CG GLN A 117 -0.315 4.346 -17.671 1.00 0.00 C ATOM 2072 CD GLN A 117 1.150 4.653 -17.994 1.00 0.00 C ATOM 2073 OE1 GLN A 117 1.507 5.639 -18.628 1.00 0.00 O ATOM 2074 NE2 GLN A 117 2.068 3.812 -17.565 1.00 0.00 N ATOM 0 H GLN A 117 -2.866 3.848 -19.280 1.00 0.00 H new ATOM 0 HA GLN A 117 -2.737 5.007 -16.584 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.261 5.555 -19.192 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -0.967 6.406 -17.688 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -0.415 4.188 -16.597 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -0.597 3.413 -18.158 1.00 0.00 H new ATOM 0 HE21 GLN A 117 1.794 2.985 -17.035 1.00 0.00 H new ATOM 0 HE22 GLN A 117 3.053 3.988 -17.762 1.00 0.00 H new ATOM 2083 N MET A 118 -3.445 7.492 -17.261 1.00 0.00 N ATOM 2084 CA MET A 118 -4.131 8.764 -17.535 1.00 0.00 C ATOM 2085 C MET A 118 -3.744 9.339 -18.915 1.00 0.00 C ATOM 2086 O MET A 118 -2.596 9.200 -19.354 1.00 0.00 O ATOM 2087 CB MET A 118 -3.841 9.747 -16.384 1.00 0.00 C ATOM 2088 CG MET A 118 -4.512 11.119 -16.544 1.00 0.00 C ATOM 2089 SD MET A 118 -6.327 11.108 -16.670 1.00 0.00 S ATOM 2090 CE MET A 118 -6.783 10.558 -15.001 1.00 0.00 C ATOM 0 H MET A 118 -2.773 7.551 -16.496 1.00 0.00 H new ATOM 0 HA MET A 118 -5.206 8.591 -17.582 1.00 0.00 H new ATOM 0 HB2 MET A 118 -4.173 9.300 -15.447 1.00 0.00 H new ATOM 0 HB3 MET A 118 -2.763 9.889 -16.305 1.00 0.00 H new ATOM 0 HG2 MET A 118 -4.230 11.741 -15.694 1.00 0.00 H new ATOM 0 HG3 MET A 118 -4.108 11.597 -17.436 1.00 0.00 H new ATOM 0 HE1 MET A 118 -7.868 10.569 -14.898 1.00 0.00 H new ATOM 0 HE2 MET A 118 -6.414 9.546 -14.838 1.00 0.00 H new ATOM 0 HE3 MET A 118 -6.342 11.228 -14.264 1.00 0.00 H new ATOM 2100 N GLY A 119 -4.699 9.987 -19.598 1.00 0.00 N ATOM 2101 CA GLY A 119 -4.535 10.594 -20.933 1.00 0.00 C ATOM 2102 C GLY A 119 -3.587 11.798 -20.962 1.00 0.00 C ATOM 2103 O GLY A 119 -2.661 11.804 -21.804 1.00 0.00 O ATOM 2104 OXT GLY A 119 -3.796 12.745 -20.172 1.00 0.00 O ATOM 0 H GLY A 119 -5.641 10.109 -19.226 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -4.163 9.836 -21.622 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -5.512 10.906 -21.301 1.00 0.00 H new TER 2108 GLY A 119