USER MOD reduce.3.24.130724 H: found=0, std=0, add=1039, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1039 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 27 MET CE :methyl -161:sc= -2.95 (180deg=-4.88!) USER MOD Set 1.2: A 41 ASN : amide:sc= -4.75 K(o=-12,f=-23!) USER MOD Set 1.3: A 93 TYR OH : rot 43:sc= -3.82! USER MOD Set 2.1: A 84 THR OG1 : rot -89:sc= -0.29 USER MOD Set 2.2: A 85 SER OG : rot -98:sc= -0.428! USER MOD Set 3.1: A 17 GLN :FLIP amide:sc= -15.2! C(o=-25!,f=-22!) USER MOD Set 3.2: A 45 HIS : no HD1:sc= -3.83! C(o=-22!,f=-29!) USER MOD Set 3.3: A 79 THR OG1 : rot 52:sc= -3.11! USER MOD Set 4.1: A 15 HIS :FLIP no HE2:sc= -11.4! C(o=-16!,f=-13!) USER MOD Set 4.2: A 42 THR OG1 : rot -170:sc= -1.19 USER MOD Set 5.1: A 28 LYS NZ :NH3+ 170:sc= 2.15 (180deg=1.31) USER MOD Set 5.2: A 31 ASN :FLIP amide:sc= -11.7! C(o=-18!,f=-9.5!) USER MOD Set 6.1: A 12 LYS NZ :NH3+ -166:sc=-0.00857 (180deg=0) USER MOD Set 6.2: A 16 MET CE :methyl -166:sc= -0.0786 (180deg=-0.634) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -141:sc= -0.198 (180deg=-1) USER MOD Single : A 1 LYS NZ :NH3+ 150:sc= -2.31 (180deg=-4.17!) USER MOD Single : A 3 LYS NZ :NH3+ 162:sc= -0.188 (180deg=-0.905) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -81:sc= -2.98! USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 52:sc= 0.064 USER MOD Single : A 9 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.081) USER MOD Single : A 14 GLN : amide:sc= -11.3! C(o=-11!,f=-16!) USER MOD Single : A 19 SER OG : rot -69:sc= 1.18 USER MOD Single : A 21 GLN : amide:sc= -0.0825 X(o=-0.082,f=0) USER MOD Single : A 24 ASN : amide:sc= -1.05! C(o=-1!,f=-2.6!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN :FLIP amide:sc= -0.976 F(o=-1.6,f=-0.98) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -6.22! C(o=-6.2!,f=-6.6!) USER MOD Single : A 34 THR OG1 : rot -84:sc= -0.142! USER MOD Single : A 35 LYS NZ :NH3+ 154:sc= -0.126 (180deg=-0.756) USER MOD Single : A 38 LYS NZ :NH3+ -149:sc= -1.7 (180deg=-2.85!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 170:sc= 0 USER MOD Single : A 54 THR OG1 : rot 69:sc= 0.0599 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.632 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 163:sc=-0.00617 (180deg=-0.245) USER MOD Single : A 64 ASN :FLIP amide:sc= 0.766 F(o=-1.3,f=0.77) USER MOD Single : A 67 LYS NZ :NH3+ -128:sc= -0.465 (180deg=-1.6) USER MOD Single : A 68 ASN : amide:sc= -1.08 X(o=-1.1,f=-0.84) USER MOD Single : A 70 HIS : no HD1:sc= -16.7! C(o=-17!,f=-20!) USER MOD Single : A 71 GLN : amide:sc= -7.08! C(o=-7.1!,f=-9.1!) USER MOD Single : A 72 SER OG : rot -91:sc= -1.6 USER MOD Single : A 73 HIS : no HE2:sc= -1.11! C(o=-1.1!,f=-4.5!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 147:sc= 0 (180deg=-0.708) USER MOD Single : A 82 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.107) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.814 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 154:sc= -0.107 (180deg=-0.804) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -0.933 K(o=-0.93,f=-11!) USER MOD Single : A 99 ASN : amide:sc= -0.75 X(o=-0.75,f=-1.1) USER MOD Single : A 100 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0615) USER MOD Single : A 101 SER OG : rot -170:sc= -2.63! USER MOD Single : A 102 TYR OH : rot 144:sc= -1.66! USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN :FLIP amide:sc= -0.06 F(o=-0.78,f=-0.06) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -120:sc= -0.119 (180deg=-1.24) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN :FLIP amide:sc= 0.579 F(o=-1,f=0.58) USER MOD Single : A 116 GLN : amide:sc= -0.059 K(o=-0.059,f=-2.4!) USER MOD Single : A 118 HIS : no HE2:sc= -7.89! C(o=-7.9!,f=-9.3!) USER MOD Single : A 123 HIS : no HE2:sc= -6.83! C(o=-6.8!,f=-6.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 94.677 16.236 13.515 1.00 0.00 N ATOM 2 CA MET A 0 95.967 15.986 14.218 1.00 0.00 C ATOM 3 C MET A 0 96.832 15.043 13.378 1.00 0.00 C ATOM 4 O MET A 0 96.332 14.257 12.598 1.00 0.00 O ATOM 5 CB MET A 0 95.689 15.345 15.580 1.00 0.00 C ATOM 6 CG MET A 0 94.772 16.258 16.396 1.00 0.00 C ATOM 7 SD MET A 0 94.329 15.437 17.947 1.00 0.00 S ATOM 8 CE MET A 0 93.216 16.719 18.573 1.00 0.00 C ATOM 0 H1 MET A 0 94.404 17.232 13.635 1.00 0.00 H new ATOM 0 H2 MET A 0 94.787 16.027 12.502 1.00 0.00 H new ATOM 0 H3 MET A 0 93.938 15.624 13.917 1.00 0.00 H new ATOM 0 HA MET A 0 96.492 16.930 14.360 1.00 0.00 H new ATOM 0 HB2 MET A 0 95.222 14.369 15.446 1.00 0.00 H new ATOM 0 HB3 MET A 0 96.625 15.180 16.114 1.00 0.00 H new ATOM 0 HG2 MET A 0 95.273 17.204 16.603 1.00 0.00 H new ATOM 0 HG3 MET A 0 93.873 16.492 15.826 1.00 0.00 H new ATOM 0 HE1 MET A 0 92.819 16.415 19.541 1.00 0.00 H new ATOM 0 HE2 MET A 0 93.764 17.655 18.683 1.00 0.00 H new ATOM 0 HE3 MET A 0 92.394 16.861 17.872 1.00 0.00 H new ATOM 20 N LYS A 1 98.126 15.116 13.531 1.00 0.00 N ATOM 21 CA LYS A 1 99.021 14.225 12.742 1.00 0.00 C ATOM 22 C LYS A 1 98.932 12.797 13.295 1.00 0.00 C ATOM 23 O LYS A 1 98.681 12.602 14.468 1.00 0.00 O ATOM 24 CB LYS A 1 100.462 14.732 12.861 1.00 0.00 C ATOM 25 CG LYS A 1 100.877 14.771 14.341 1.00 0.00 C ATOM 26 CD LYS A 1 101.720 16.020 14.617 1.00 0.00 C ATOM 27 CE LYS A 1 103.057 15.917 13.877 1.00 0.00 C ATOM 28 NZ LYS A 1 102.854 16.235 12.435 1.00 0.00 N ATOM 0 H LYS A 1 98.602 15.755 14.169 1.00 0.00 H new ATOM 0 HA LYS A 1 98.717 14.227 11.695 1.00 0.00 H new ATOM 0 HB2 LYS A 1 101.134 14.081 12.302 1.00 0.00 H new ATOM 0 HB3 LYS A 1 100.545 15.727 12.424 1.00 0.00 H new ATOM 0 HG2 LYS A 1 99.991 14.773 14.976 1.00 0.00 H new ATOM 0 HG3 LYS A 1 101.446 13.876 14.591 1.00 0.00 H new ATOM 0 HD2 LYS A 1 101.183 16.911 14.294 1.00 0.00 H new ATOM 0 HD3 LYS A 1 101.894 16.123 15.688 1.00 0.00 H new ATOM 0 HE2 LYS A 1 103.780 16.606 14.314 1.00 0.00 H new ATOM 0 HE3 LYS A 1 103.468 14.913 13.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 103.722 16.658 12.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 102.632 15.362 11.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 102.067 16.907 12.335 1.00 0.00 H new ATOM 42 N PRO A 2 99.135 11.803 12.462 1.00 0.00 N ATOM 43 CA PRO A 2 99.078 10.375 12.890 1.00 0.00 C ATOM 44 C PRO A 2 99.824 10.125 14.205 1.00 0.00 C ATOM 45 O PRO A 2 100.326 11.036 14.832 1.00 0.00 O ATOM 46 CB PRO A 2 99.764 9.627 11.745 1.00 0.00 C ATOM 47 CG PRO A 2 99.550 10.477 10.535 1.00 0.00 C ATOM 48 CD PRO A 2 99.438 11.926 11.023 1.00 0.00 C ATOM 0 HA PRO A 2 98.053 10.054 13.076 1.00 0.00 H new ATOM 0 HB2 PRO A 2 100.826 9.489 11.946 1.00 0.00 H new ATOM 0 HB3 PRO A 2 99.334 8.635 11.610 1.00 0.00 H new ATOM 0 HG2 PRO A 2 100.379 10.368 9.835 1.00 0.00 H new ATOM 0 HG3 PRO A 2 98.645 10.176 10.007 1.00 0.00 H new ATOM 0 HD2 PRO A 2 100.365 12.475 10.857 1.00 0.00 H new ATOM 0 HD3 PRO A 2 98.651 12.464 10.495 1.00 0.00 H new ATOM 56 N LYS A 3 99.908 8.891 14.615 1.00 0.00 N ATOM 57 CA LYS A 3 100.627 8.567 15.875 1.00 0.00 C ATOM 58 C LYS A 3 100.849 7.057 15.925 1.00 0.00 C ATOM 59 O LYS A 3 99.932 6.278 15.765 1.00 0.00 O ATOM 60 CB LYS A 3 99.801 9.032 17.084 1.00 0.00 C ATOM 61 CG LYS A 3 98.823 7.935 17.510 1.00 0.00 C ATOM 62 CD LYS A 3 97.801 8.513 18.490 1.00 0.00 C ATOM 63 CE LYS A 3 96.743 7.454 18.809 1.00 0.00 C ATOM 64 NZ LYS A 3 97.400 6.125 18.956 1.00 0.00 N ATOM 0 H LYS A 3 99.507 8.089 14.128 1.00 0.00 H new ATOM 0 HA LYS A 3 101.588 9.081 15.906 1.00 0.00 H new ATOM 0 HB2 LYS A 3 100.464 9.280 17.913 1.00 0.00 H new ATOM 0 HB3 LYS A 3 99.253 9.940 16.832 1.00 0.00 H new ATOM 0 HG2 LYS A 3 98.314 7.528 16.636 1.00 0.00 H new ATOM 0 HG3 LYS A 3 99.364 7.112 17.976 1.00 0.00 H new ATOM 0 HD2 LYS A 3 98.299 8.832 19.406 1.00 0.00 H new ATOM 0 HD3 LYS A 3 97.329 9.396 18.060 1.00 0.00 H new ATOM 0 HE2 LYS A 3 96.217 7.715 19.727 1.00 0.00 H new ATOM 0 HE3 LYS A 3 95.998 7.418 18.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 96.762 5.476 19.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 97.615 5.738 18.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 98.282 6.232 19.496 1.00 0.00 H new ATOM 78 N GLY A 4 102.059 6.635 16.121 1.00 0.00 N ATOM 79 CA GLY A 4 102.331 5.174 16.153 1.00 0.00 C ATOM 80 C GLY A 4 102.257 4.640 14.724 1.00 0.00 C ATOM 81 O GLY A 4 102.240 3.448 14.491 1.00 0.00 O ATOM 0 H GLY A 4 102.872 7.234 16.261 1.00 0.00 H new ATOM 0 HA2 GLY A 4 103.315 4.980 16.580 1.00 0.00 H new ATOM 0 HA3 GLY A 4 101.603 4.666 16.786 1.00 0.00 H new ATOM 85 N MET A 5 102.214 5.526 13.761 1.00 0.00 N ATOM 86 CA MET A 5 102.141 5.091 12.339 1.00 0.00 C ATOM 87 C MET A 5 102.871 6.110 11.463 1.00 0.00 C ATOM 88 O MET A 5 102.264 6.800 10.668 1.00 0.00 O ATOM 89 CB MET A 5 100.677 5.009 11.894 1.00 0.00 C ATOM 90 CG MET A 5 99.840 4.341 12.984 1.00 0.00 C ATOM 91 SD MET A 5 98.155 4.084 12.377 1.00 0.00 S ATOM 92 CE MET A 5 97.342 4.003 13.992 1.00 0.00 C ATOM 0 H MET A 5 102.227 6.536 13.903 1.00 0.00 H new ATOM 0 HA MET A 5 102.606 4.110 12.239 1.00 0.00 H new ATOM 0 HB2 MET A 5 100.293 6.009 11.690 1.00 0.00 H new ATOM 0 HB3 MET A 5 100.601 4.442 10.966 1.00 0.00 H new ATOM 0 HG2 MET A 5 100.286 3.387 13.267 1.00 0.00 H new ATOM 0 HG3 MET A 5 99.825 4.963 13.879 1.00 0.00 H new ATOM 0 HE1 MET A 5 96.272 3.845 13.853 1.00 0.00 H new ATOM 0 HE2 MET A 5 97.759 3.177 14.568 1.00 0.00 H new ATOM 0 HE3 MET A 5 97.504 4.938 14.528 1.00 0.00 H new ATOM 102 N THR A 6 104.168 6.206 11.592 1.00 0.00 N ATOM 103 CA THR A 6 104.929 7.176 10.751 1.00 0.00 C ATOM 104 C THR A 6 104.399 7.104 9.315 1.00 0.00 C ATOM 105 O THR A 6 103.744 6.153 8.937 1.00 0.00 O ATOM 106 CB THR A 6 106.422 6.811 10.780 1.00 0.00 C ATOM 107 OG1 THR A 6 107.002 7.306 11.978 1.00 0.00 O ATOM 108 CG2 THR A 6 107.142 7.429 9.580 1.00 0.00 C ATOM 0 H THR A 6 104.732 5.657 12.241 1.00 0.00 H new ATOM 0 HA THR A 6 104.804 8.188 11.135 1.00 0.00 H new ATOM 0 HB THR A 6 106.523 5.727 10.736 1.00 0.00 H new ATOM 0 HG1 THR A 6 107.209 8.258 11.872 1.00 0.00 H new ATOM 0 HG21 THR A 6 108.198 7.163 9.613 1.00 0.00 H new ATOM 0 HG22 THR A 6 106.701 7.052 8.657 1.00 0.00 H new ATOM 0 HG23 THR A 6 107.040 8.514 9.614 1.00 0.00 H new ATOM 116 N SER A 7 104.670 8.094 8.511 1.00 0.00 N ATOM 117 CA SER A 7 104.171 8.062 7.107 1.00 0.00 C ATOM 118 C SER A 7 104.498 6.698 6.499 1.00 0.00 C ATOM 119 O SER A 7 103.626 5.968 6.071 1.00 0.00 O ATOM 120 CB SER A 7 104.854 9.162 6.295 1.00 0.00 C ATOM 121 OG SER A 7 104.287 9.205 4.992 1.00 0.00 O ATOM 0 H SER A 7 105.213 8.920 8.763 1.00 0.00 H new ATOM 0 HA SER A 7 103.093 8.225 7.093 1.00 0.00 H new ATOM 0 HB2 SER A 7 104.730 10.125 6.790 1.00 0.00 H new ATOM 0 HB3 SER A 7 105.925 8.971 6.232 1.00 0.00 H new ATOM 0 HG SER A 7 104.722 9.911 4.469 1.00 0.00 H new ATOM 127 N SER A 8 105.752 6.349 6.471 1.00 0.00 N ATOM 128 CA SER A 8 106.149 5.032 5.906 1.00 0.00 C ATOM 129 C SER A 8 105.517 3.912 6.718 1.00 0.00 C ATOM 130 O SER A 8 105.097 2.915 6.180 1.00 0.00 O ATOM 131 CB SER A 8 107.664 4.891 5.961 1.00 0.00 C ATOM 132 OG SER A 8 108.029 3.577 5.561 1.00 0.00 O ATOM 0 H SER A 8 106.522 6.922 6.817 1.00 0.00 H new ATOM 0 HA SER A 8 105.809 4.970 4.872 1.00 0.00 H new ATOM 0 HB2 SER A 8 108.133 5.626 5.307 1.00 0.00 H new ATOM 0 HB3 SER A 8 108.023 5.089 6.971 1.00 0.00 H new ATOM 0 HG SER A 8 107.612 3.370 4.699 1.00 0.00 H new ATOM 138 N GLN A 9 105.448 4.059 8.007 1.00 0.00 N ATOM 139 CA GLN A 9 104.839 2.979 8.829 1.00 0.00 C ATOM 140 C GLN A 9 103.433 2.682 8.308 1.00 0.00 C ATOM 141 O GLN A 9 103.090 1.553 8.041 1.00 0.00 O ATOM 142 CB GLN A 9 104.768 3.421 10.289 1.00 0.00 C ATOM 143 CG GLN A 9 106.087 3.083 10.987 1.00 0.00 C ATOM 144 CD GLN A 9 106.076 1.617 11.428 1.00 0.00 C ATOM 145 OE1 GLN A 9 106.985 0.872 11.122 1.00 0.00 O ATOM 146 NE2 GLN A 9 105.077 1.170 12.139 1.00 0.00 N ATOM 0 H GLN A 9 105.783 4.871 8.525 1.00 0.00 H new ATOM 0 HA GLN A 9 105.450 2.079 8.760 1.00 0.00 H new ATOM 0 HB2 GLN A 9 104.577 4.493 10.347 1.00 0.00 H new ATOM 0 HB3 GLN A 9 103.939 2.922 10.792 1.00 0.00 H new ATOM 0 HG2 GLN A 9 106.924 3.264 10.312 1.00 0.00 H new ATOM 0 HG3 GLN A 9 106.229 3.732 11.851 1.00 0.00 H new ATOM 0 HE21 GLN A 9 104.314 1.796 12.396 1.00 0.00 H new ATOM 0 HE22 GLN A 9 105.060 0.195 12.438 1.00 0.00 H new ATOM 155 N TRP A 10 102.617 3.684 8.149 1.00 0.00 N ATOM 156 CA TRP A 10 101.244 3.434 7.633 1.00 0.00 C ATOM 157 C TRP A 10 101.351 2.748 6.269 1.00 0.00 C ATOM 158 O TRP A 10 100.545 1.914 5.902 1.00 0.00 O ATOM 159 CB TRP A 10 100.497 4.775 7.505 1.00 0.00 C ATOM 160 CG TRP A 10 99.608 4.775 6.296 1.00 0.00 C ATOM 161 CD1 TRP A 10 99.586 5.747 5.354 1.00 0.00 C ATOM 162 CD2 TRP A 10 98.618 3.786 5.883 1.00 0.00 C ATOM 163 NE1 TRP A 10 98.650 5.417 4.391 1.00 0.00 N ATOM 164 CE2 TRP A 10 98.028 4.217 4.671 1.00 0.00 C ATOM 165 CE3 TRP A 10 98.179 2.568 6.434 1.00 0.00 C ATOM 166 CZ2 TRP A 10 97.041 3.466 4.030 1.00 0.00 C ATOM 167 CZ3 TRP A 10 97.189 1.810 5.790 1.00 0.00 C ATOM 168 CH2 TRP A 10 96.621 2.258 4.592 1.00 0.00 C ATOM 0 H TRP A 10 102.839 4.659 8.352 1.00 0.00 H new ATOM 0 HA TRP A 10 100.691 2.791 8.317 1.00 0.00 H new ATOM 0 HB2 TRP A 10 99.901 4.952 8.400 1.00 0.00 H new ATOM 0 HB3 TRP A 10 101.215 5.592 7.434 1.00 0.00 H new ATOM 0 HD1 TRP A 10 100.200 6.636 5.354 1.00 0.00 H new ATOM 0 HE1 TRP A 10 98.444 5.991 3.573 1.00 0.00 H new ATOM 0 HE3 TRP A 10 98.607 2.214 7.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 96.605 3.817 3.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 96.863 0.875 6.222 1.00 0.00 H new ATOM 0 HH2 TRP A 10 95.859 1.670 4.102 1.00 0.00 H new ATOM 179 N PHE A 11 102.343 3.101 5.515 1.00 0.00 N ATOM 180 CA PHE A 11 102.502 2.495 4.165 1.00 0.00 C ATOM 181 C PHE A 11 103.144 1.112 4.249 1.00 0.00 C ATOM 182 O PHE A 11 103.145 0.377 3.290 1.00 0.00 O ATOM 183 CB PHE A 11 103.344 3.415 3.275 1.00 0.00 C ATOM 184 CG PHE A 11 102.499 3.848 2.104 1.00 0.00 C ATOM 185 CD1 PHE A 11 101.630 4.932 2.242 1.00 0.00 C ATOM 186 CD2 PHE A 11 102.571 3.155 0.891 1.00 0.00 C ATOM 187 CE1 PHE A 11 100.829 5.327 1.170 1.00 0.00 C ATOM 188 CE2 PHE A 11 101.773 3.550 -0.184 1.00 0.00 C ATOM 189 CZ PHE A 11 100.899 4.636 -0.046 1.00 0.00 C ATOM 0 H PHE A 11 103.055 3.785 5.771 1.00 0.00 H new ATOM 0 HA PHE A 11 101.511 2.378 3.727 1.00 0.00 H new ATOM 0 HB2 PHE A 11 103.682 4.283 3.840 1.00 0.00 H new ATOM 0 HB3 PHE A 11 104.236 2.894 2.927 1.00 0.00 H new ATOM 0 HD1 PHE A 11 101.578 5.465 3.180 1.00 0.00 H new ATOM 0 HD2 PHE A 11 103.243 2.316 0.786 1.00 0.00 H new ATOM 0 HE1 PHE A 11 100.156 6.165 1.278 1.00 0.00 H new ATOM 0 HE2 PHE A 11 101.829 3.018 -1.122 1.00 0.00 H new ATOM 0 HZ PHE A 11 100.280 4.940 -0.877 1.00 0.00 H new ATOM 199 N LYS A 12 103.674 0.729 5.372 1.00 0.00 N ATOM 200 CA LYS A 12 104.267 -0.630 5.453 1.00 0.00 C ATOM 201 C LYS A 12 103.139 -1.582 5.832 1.00 0.00 C ATOM 202 O LYS A 12 103.110 -2.724 5.462 1.00 0.00 O ATOM 203 CB LYS A 12 105.417 -0.664 6.478 1.00 0.00 C ATOM 204 CG LYS A 12 104.884 -0.814 7.913 1.00 0.00 C ATOM 205 CD LYS A 12 104.788 -2.296 8.309 1.00 0.00 C ATOM 206 CE LYS A 12 105.020 -2.442 9.815 1.00 0.00 C ATOM 207 NZ LYS A 12 104.689 -3.832 10.237 1.00 0.00 N ATOM 0 H LYS A 12 103.723 1.287 6.225 1.00 0.00 H new ATOM 0 HA LYS A 12 104.703 -0.928 4.500 1.00 0.00 H new ATOM 0 HB2 LYS A 12 106.087 -1.493 6.248 1.00 0.00 H new ATOM 0 HB3 LYS A 12 106.004 0.251 6.400 1.00 0.00 H new ATOM 0 HG2 LYS A 12 105.542 -0.290 8.606 1.00 0.00 H new ATOM 0 HG3 LYS A 12 103.902 -0.348 7.991 1.00 0.00 H new ATOM 0 HD2 LYS A 12 103.808 -2.691 8.042 1.00 0.00 H new ATOM 0 HD3 LYS A 12 105.527 -2.878 7.759 1.00 0.00 H new ATOM 0 HE2 LYS A 12 106.058 -2.215 10.057 1.00 0.00 H new ATOM 0 HE3 LYS A 12 104.402 -1.728 10.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 104.615 -3.872 11.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 103.782 -4.117 9.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 105.438 -4.479 9.918 1.00 0.00 H new ATOM 221 N ILE A 13 102.168 -1.091 6.516 1.00 0.00 N ATOM 222 CA ILE A 13 101.009 -1.951 6.864 1.00 0.00 C ATOM 223 C ILE A 13 100.094 -1.970 5.646 1.00 0.00 C ATOM 224 O ILE A 13 99.259 -2.838 5.485 1.00 0.00 O ATOM 225 CB ILE A 13 100.271 -1.388 8.088 1.00 0.00 C ATOM 226 CG1 ILE A 13 100.225 0.145 8.010 1.00 0.00 C ATOM 227 CG2 ILE A 13 101.000 -1.825 9.365 1.00 0.00 C ATOM 228 CD1 ILE A 13 99.962 0.749 9.397 1.00 0.00 C ATOM 0 H ILE A 13 102.117 -0.130 6.855 1.00 0.00 H new ATOM 0 HA ILE A 13 101.334 -2.960 7.120 1.00 0.00 H new ATOM 0 HB ILE A 13 99.250 -1.770 8.105 1.00 0.00 H new ATOM 0 HG12 ILE A 13 101.168 0.523 7.616 1.00 0.00 H new ATOM 0 HG13 ILE A 13 99.443 0.456 7.318 1.00 0.00 H new ATOM 0 HG21 ILE A 13 100.479 -1.427 10.236 1.00 0.00 H new ATOM 0 HG22 ILE A 13 101.018 -2.914 9.419 1.00 0.00 H new ATOM 0 HG23 ILE A 13 102.022 -1.445 9.349 1.00 0.00 H new ATOM 0 HD11 ILE A 13 99.933 1.836 9.321 1.00 0.00 H new ATOM 0 HD12 ILE A 13 99.007 0.386 9.777 1.00 0.00 H new ATOM 0 HD13 ILE A 13 100.759 0.454 10.079 1.00 0.00 H new ATOM 240 N GLN A 14 100.263 -1.005 4.779 1.00 0.00 N ATOM 241 CA GLN A 14 99.432 -0.929 3.550 1.00 0.00 C ATOM 242 C GLN A 14 100.236 -1.445 2.337 1.00 0.00 C ATOM 243 O GLN A 14 99.690 -1.652 1.272 1.00 0.00 O ATOM 244 CB GLN A 14 99.036 0.547 3.329 1.00 0.00 C ATOM 245 CG GLN A 14 99.647 1.077 2.037 1.00 0.00 C ATOM 246 CD GLN A 14 99.329 2.567 1.893 1.00 0.00 C ATOM 247 OE1 GLN A 14 99.609 3.348 2.780 1.00 0.00 O ATOM 248 NE2 GLN A 14 98.753 2.995 0.804 1.00 0.00 N ATOM 0 H GLN A 14 100.952 -0.259 4.876 1.00 0.00 H new ATOM 0 HA GLN A 14 98.541 -1.547 3.660 1.00 0.00 H new ATOM 0 HB2 GLN A 14 97.950 0.636 3.288 1.00 0.00 H new ATOM 0 HB3 GLN A 14 99.374 1.150 4.172 1.00 0.00 H new ATOM 0 HG2 GLN A 14 100.726 0.924 2.044 1.00 0.00 H new ATOM 0 HG3 GLN A 14 99.252 0.526 1.183 1.00 0.00 H new ATOM 0 HE21 GLN A 14 98.518 2.339 0.059 1.00 0.00 H new ATOM 0 HE22 GLN A 14 98.537 3.986 0.697 1.00 0.00 H new ATOM 257 N HIS A 15 101.533 -1.606 2.468 1.00 0.00 N ATOM 258 CA HIS A 15 102.350 -2.043 1.289 1.00 0.00 C ATOM 259 C HIS A 15 103.527 -2.941 1.709 1.00 0.00 C ATOM 260 O HIS A 15 104.466 -3.116 0.958 1.00 0.00 O ATOM 261 CB HIS A 15 102.911 -0.784 0.605 1.00 0.00 C ATOM 262 CG HIS A 15 102.353 -0.654 -0.782 1.00 0.00 C ATOM 263 ND1 HIS A 15 101.151 -0.181 -1.238 1.00 0.00 N flip ATOM 264 CD2 HIS A 15 103.067 -1.034 -1.907 1.00 0.00 C flip ATOM 265 CE1 HIS A 15 101.118 -0.263 -2.625 1.00 0.00 C flip ATOM 266 NE2 HIS A 15 102.295 -0.784 -2.979 1.00 0.00 N flip ATOM 0 H HIS A 15 102.057 -1.456 3.330 1.00 0.00 H new ATOM 0 HA HIS A 15 101.712 -2.618 0.618 1.00 0.00 H new ATOM 0 HB2 HIS A 15 102.658 0.100 1.191 1.00 0.00 H new ATOM 0 HB3 HIS A 15 103.999 -0.838 0.563 1.00 0.00 H new ATOM 0 HD1 HIS A 15 100.397 0.176 -0.651 1.00 0.00 H new ATOM 0 HD2 HIS A 15 104.062 -1.454 -1.920 1.00 0.00 H new ATOM 0 HE1 HIS A 15 100.311 0.032 -3.279 1.00 0.00 H new ATOM 275 N MET A 16 103.495 -3.515 2.880 1.00 0.00 N ATOM 276 CA MET A 16 104.631 -4.399 3.303 1.00 0.00 C ATOM 277 C MET A 16 104.225 -5.867 3.180 1.00 0.00 C ATOM 278 O MET A 16 103.284 -6.316 3.799 1.00 0.00 O ATOM 279 CB MET A 16 105.026 -4.103 4.766 1.00 0.00 C ATOM 280 CG MET A 16 104.129 -4.877 5.750 1.00 0.00 C ATOM 281 SD MET A 16 104.777 -6.553 5.988 1.00 0.00 S ATOM 282 CE MET A 16 104.603 -6.621 7.789 1.00 0.00 C ATOM 0 H MET A 16 102.742 -3.415 3.560 1.00 0.00 H new ATOM 0 HA MET A 16 105.483 -4.199 2.653 1.00 0.00 H new ATOM 0 HB2 MET A 16 106.069 -4.377 4.927 1.00 0.00 H new ATOM 0 HB3 MET A 16 104.944 -3.033 4.959 1.00 0.00 H new ATOM 0 HG2 MET A 16 104.088 -4.355 6.706 1.00 0.00 H new ATOM 0 HG3 MET A 16 103.109 -4.923 5.367 1.00 0.00 H new ATOM 0 HE1 MET A 16 105.170 -7.467 8.178 1.00 0.00 H new ATOM 0 HE2 MET A 16 104.983 -5.698 8.226 1.00 0.00 H new ATOM 0 HE3 MET A 16 103.551 -6.739 8.049 1.00 0.00 H new ATOM 292 N GLN A 17 104.947 -6.631 2.407 1.00 0.00 N ATOM 293 CA GLN A 17 104.614 -8.072 2.295 1.00 0.00 C ATOM 294 C GLN A 17 105.669 -8.921 3.032 1.00 0.00 C ATOM 295 O GLN A 17 105.504 -10.120 3.141 1.00 0.00 O ATOM 296 CB GLN A 17 104.534 -8.501 0.831 1.00 0.00 C ATOM 297 CG GLN A 17 105.819 -8.117 0.114 1.00 0.00 C ATOM 298 CD GLN A 17 106.075 -9.100 -1.027 1.00 0.00 C ATOM 299 OE1 GLN A 17 106.195 -8.648 -2.243 1.00 0.00 O flip ATOM 300 NE2 GLN A 17 106.168 -10.291 -0.809 1.00 0.00 N flip ATOM 0 H GLN A 17 105.746 -6.320 1.854 1.00 0.00 H new ATOM 0 HA GLN A 17 103.639 -8.231 2.756 1.00 0.00 H new ATOM 0 HB2 GLN A 17 104.377 -9.578 0.765 1.00 0.00 H new ATOM 0 HB3 GLN A 17 103.681 -8.025 0.348 1.00 0.00 H new ATOM 0 HG2 GLN A 17 105.742 -7.102 -0.276 1.00 0.00 H new ATOM 0 HG3 GLN A 17 106.656 -8.127 0.813 1.00 0.00 H new ATOM 0 HE21 GLN A 17 106.074 -10.644 0.143 1.00 0.00 H new ATOM 0 HE22 GLN A 17 106.340 -10.938 -1.578 1.00 0.00 H new ATOM 309 N PRO A 18 106.740 -8.338 3.564 1.00 0.00 N ATOM 310 CA PRO A 18 107.749 -9.133 4.305 1.00 0.00 C ATOM 311 C PRO A 18 107.049 -10.125 5.239 1.00 0.00 C ATOM 312 O PRO A 18 107.636 -11.075 5.715 1.00 0.00 O ATOM 313 CB PRO A 18 108.533 -8.089 5.113 1.00 0.00 C ATOM 314 CG PRO A 18 108.389 -6.800 4.366 1.00 0.00 C ATOM 315 CD PRO A 18 107.111 -6.906 3.521 1.00 0.00 C ATOM 0 HA PRO A 18 108.394 -9.718 3.650 1.00 0.00 H new ATOM 0 HB2 PRO A 18 108.137 -8.000 6.125 1.00 0.00 H new ATOM 0 HB3 PRO A 18 109.581 -8.373 5.204 1.00 0.00 H new ATOM 0 HG2 PRO A 18 108.325 -5.960 5.057 1.00 0.00 H new ATOM 0 HG3 PRO A 18 109.257 -6.624 3.731 1.00 0.00 H new ATOM 0 HD2 PRO A 18 106.316 -6.280 3.927 1.00 0.00 H new ATOM 0 HD3 PRO A 18 107.286 -6.574 2.498 1.00 0.00 H new ATOM 323 N SER A 19 105.780 -9.889 5.486 1.00 0.00 N ATOM 324 CA SER A 19 104.975 -10.782 6.378 1.00 0.00 C ATOM 325 C SER A 19 103.829 -9.972 6.999 1.00 0.00 C ATOM 326 O SER A 19 103.871 -9.623 8.163 1.00 0.00 O ATOM 327 CB SER A 19 105.855 -11.343 7.500 1.00 0.00 C ATOM 328 OG SER A 19 105.046 -11.615 8.637 1.00 0.00 O ATOM 0 H SER A 19 105.261 -9.101 5.099 1.00 0.00 H new ATOM 0 HA SER A 19 104.577 -11.608 5.789 1.00 0.00 H new ATOM 0 HB2 SER A 19 106.353 -12.254 7.167 1.00 0.00 H new ATOM 0 HB3 SER A 19 106.636 -10.628 7.757 1.00 0.00 H new ATOM 0 HG SER A 19 104.739 -10.771 9.029 1.00 0.00 H new ATOM 334 N PRO A 20 102.814 -9.669 6.228 1.00 0.00 N ATOM 335 CA PRO A 20 101.641 -8.886 6.695 1.00 0.00 C ATOM 336 C PRO A 20 100.516 -9.792 7.199 1.00 0.00 C ATOM 337 O PRO A 20 99.671 -9.375 7.962 1.00 0.00 O ATOM 338 CB PRO A 20 101.211 -8.173 5.419 1.00 0.00 C ATOM 339 CG PRO A 20 101.472 -9.172 4.336 1.00 0.00 C ATOM 340 CD PRO A 20 102.659 -10.037 4.811 1.00 0.00 C ATOM 0 HA PRO A 20 101.873 -8.225 7.530 1.00 0.00 H new ATOM 0 HB2 PRO A 20 100.159 -7.891 5.456 1.00 0.00 H new ATOM 0 HB3 PRO A 20 101.781 -7.257 5.263 1.00 0.00 H new ATOM 0 HG2 PRO A 20 100.591 -9.788 4.157 1.00 0.00 H new ATOM 0 HG3 PRO A 20 101.708 -8.672 3.397 1.00 0.00 H new ATOM 0 HD2 PRO A 20 102.451 -11.101 4.694 1.00 0.00 H new ATOM 0 HD3 PRO A 20 103.563 -9.824 4.241 1.00 0.00 H new ATOM 348 N GLN A 21 100.514 -11.025 6.749 1.00 0.00 N ATOM 349 CA GLN A 21 99.465 -12.025 7.144 1.00 0.00 C ATOM 350 C GLN A 21 98.461 -12.161 5.999 1.00 0.00 C ATOM 351 O GLN A 21 97.264 -12.112 6.200 1.00 0.00 O ATOM 352 CB GLN A 21 98.729 -11.606 8.426 1.00 0.00 C ATOM 353 CG GLN A 21 99.737 -11.387 9.569 1.00 0.00 C ATOM 354 CD GLN A 21 99.598 -12.506 10.606 1.00 0.00 C ATOM 355 OE1 GLN A 21 99.559 -12.249 11.793 1.00 0.00 O ATOM 356 NE2 GLN A 21 99.520 -13.745 10.204 1.00 0.00 N ATOM 0 H GLN A 21 101.216 -11.391 6.106 1.00 0.00 H new ATOM 0 HA GLN A 21 99.956 -12.978 7.343 1.00 0.00 H new ATOM 0 HB2 GLN A 21 98.165 -10.690 8.248 1.00 0.00 H new ATOM 0 HB3 GLN A 21 98.009 -12.374 8.708 1.00 0.00 H new ATOM 0 HG2 GLN A 21 100.752 -11.370 9.172 1.00 0.00 H new ATOM 0 HG3 GLN A 21 99.563 -10.419 10.039 1.00 0.00 H new ATOM 0 HE21 GLN A 21 99.553 -13.961 9.208 1.00 0.00 H new ATOM 0 HE22 GLN A 21 99.426 -14.498 10.886 1.00 0.00 H new ATOM 365 N ALA A 22 98.949 -12.330 4.797 1.00 0.00 N ATOM 366 CA ALA A 22 98.044 -12.470 3.618 1.00 0.00 C ATOM 367 C ALA A 22 97.536 -11.098 3.200 1.00 0.00 C ATOM 368 O ALA A 22 97.026 -10.347 4.007 1.00 0.00 O ATOM 369 CB ALA A 22 96.839 -13.347 3.972 1.00 0.00 C ATOM 0 H ALA A 22 99.945 -12.377 4.581 1.00 0.00 H new ATOM 0 HA ALA A 22 98.605 -12.931 2.805 1.00 0.00 H new ATOM 0 HB1 ALA A 22 96.188 -13.440 3.102 1.00 0.00 H new ATOM 0 HB2 ALA A 22 97.185 -14.336 4.274 1.00 0.00 H new ATOM 0 HB3 ALA A 22 96.285 -12.890 4.792 1.00 0.00 H new ATOM 375 N CYS A 23 97.637 -10.768 1.944 1.00 0.00 N ATOM 376 CA CYS A 23 97.118 -9.453 1.507 1.00 0.00 C ATOM 377 C CYS A 23 95.696 -9.332 2.007 1.00 0.00 C ATOM 378 O CYS A 23 95.210 -8.264 2.290 1.00 0.00 O ATOM 379 CB CYS A 23 97.106 -9.367 -0.002 1.00 0.00 C ATOM 380 SG CYS A 23 98.788 -9.585 -0.631 1.00 0.00 S ATOM 0 H CYS A 23 98.051 -11.346 1.213 1.00 0.00 H new ATOM 0 HA CYS A 23 97.750 -8.657 1.901 1.00 0.00 H new ATOM 0 HB2 CYS A 23 96.449 -10.133 -0.415 1.00 0.00 H new ATOM 0 HB3 CYS A 23 96.710 -8.402 -0.319 1.00 0.00 H new ATOM 385 N ASN A 24 95.021 -10.433 2.126 1.00 0.00 N ATOM 386 CA ASN A 24 93.631 -10.370 2.630 1.00 0.00 C ATOM 387 C ASN A 24 93.635 -9.573 3.936 1.00 0.00 C ATOM 388 O ASN A 24 92.883 -8.637 4.107 1.00 0.00 O ATOM 389 CB ASN A 24 93.106 -11.786 2.882 1.00 0.00 C ATOM 390 CG ASN A 24 91.788 -11.716 3.656 1.00 0.00 C ATOM 391 OD1 ASN A 24 91.210 -10.657 3.799 1.00 0.00 O ATOM 392 ND2 ASN A 24 91.285 -12.808 4.163 1.00 0.00 N ATOM 0 H ASN A 24 95.367 -11.365 1.899 1.00 0.00 H new ATOM 0 HA ASN A 24 92.984 -9.887 1.898 1.00 0.00 H new ATOM 0 HB2 ASN A 24 92.955 -12.303 1.934 1.00 0.00 H new ATOM 0 HB3 ASN A 24 93.840 -12.362 3.446 1.00 0.00 H new ATOM 0 HD21 ASN A 24 90.406 -12.773 4.680 1.00 0.00 H new ATOM 0 HD22 ASN A 24 91.771 -13.697 4.043 1.00 0.00 H new ATOM 399 N SER A 25 94.497 -9.929 4.850 1.00 0.00 N ATOM 400 CA SER A 25 94.564 -9.194 6.148 1.00 0.00 C ATOM 401 C SER A 25 95.384 -7.911 5.977 1.00 0.00 C ATOM 402 O SER A 25 95.067 -6.870 6.527 1.00 0.00 O ATOM 403 CB SER A 25 95.228 -10.082 7.200 1.00 0.00 C ATOM 404 OG SER A 25 94.990 -9.539 8.492 1.00 0.00 O ATOM 0 H SER A 25 95.159 -10.699 4.754 1.00 0.00 H new ATOM 0 HA SER A 25 93.554 -8.936 6.468 1.00 0.00 H new ATOM 0 HB2 SER A 25 94.831 -11.095 7.140 1.00 0.00 H new ATOM 0 HB3 SER A 25 96.300 -10.148 7.013 1.00 0.00 H new ATOM 0 HG SER A 25 95.413 -10.107 9.169 1.00 0.00 H new ATOM 410 N ALA A 26 96.429 -7.969 5.207 1.00 0.00 N ATOM 411 CA ALA A 26 97.257 -6.753 4.990 1.00 0.00 C ATOM 412 C ALA A 26 96.339 -5.637 4.534 1.00 0.00 C ATOM 413 O ALA A 26 96.428 -4.508 4.974 1.00 0.00 O ATOM 414 CB ALA A 26 98.287 -7.038 3.907 1.00 0.00 C ATOM 0 H ALA A 26 96.747 -8.805 4.718 1.00 0.00 H new ATOM 0 HA ALA A 26 97.771 -6.469 5.908 1.00 0.00 H new ATOM 0 HB1 ALA A 26 98.898 -6.150 3.743 1.00 0.00 H new ATOM 0 HB2 ALA A 26 98.925 -7.864 4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 26 97.777 -7.304 2.981 1.00 0.00 H new ATOM 420 N MET A 27 95.448 -5.962 3.653 1.00 0.00 N ATOM 421 CA MET A 27 94.499 -4.953 3.149 1.00 0.00 C ATOM 422 C MET A 27 93.467 -4.665 4.236 1.00 0.00 C ATOM 423 O MET A 27 92.940 -3.576 4.331 1.00 0.00 O ATOM 424 CB MET A 27 93.807 -5.496 1.898 1.00 0.00 C ATOM 425 CG MET A 27 93.386 -4.330 1.001 1.00 0.00 C ATOM 426 SD MET A 27 91.859 -3.599 1.644 1.00 0.00 S ATOM 427 CE MET A 27 91.933 -2.040 0.727 1.00 0.00 C ATOM 0 H MET A 27 95.337 -6.895 3.257 1.00 0.00 H new ATOM 0 HA MET A 27 95.024 -4.032 2.894 1.00 0.00 H new ATOM 0 HB2 MET A 27 94.480 -6.161 1.357 1.00 0.00 H new ATOM 0 HB3 MET A 27 92.935 -6.086 2.179 1.00 0.00 H new ATOM 0 HG2 MET A 27 94.176 -3.579 0.967 1.00 0.00 H new ATOM 0 HG3 MET A 27 93.233 -4.679 -0.020 1.00 0.00 H new ATOM 0 HE1 MET A 27 91.288 -1.304 1.208 1.00 0.00 H new ATOM 0 HE2 MET A 27 92.959 -1.672 0.717 1.00 0.00 H new ATOM 0 HE3 MET A 27 91.596 -2.204 -0.297 1.00 0.00 H new ATOM 437 N LYS A 28 93.177 -5.634 5.064 1.00 0.00 N ATOM 438 CA LYS A 28 92.179 -5.394 6.147 1.00 0.00 C ATOM 439 C LYS A 28 92.619 -4.183 6.967 1.00 0.00 C ATOM 440 O LYS A 28 91.805 -3.461 7.505 1.00 0.00 O ATOM 441 CB LYS A 28 92.074 -6.619 7.063 1.00 0.00 C ATOM 442 CG LYS A 28 91.270 -7.729 6.374 1.00 0.00 C ATOM 443 CD LYS A 28 89.813 -7.287 6.145 1.00 0.00 C ATOM 444 CE LYS A 28 89.558 -7.095 4.643 1.00 0.00 C ATOM 445 NZ LYS A 28 88.275 -6.363 4.447 1.00 0.00 N ATOM 0 H LYS A 28 93.582 -6.570 5.039 1.00 0.00 H new ATOM 0 HA LYS A 28 91.203 -5.211 5.698 1.00 0.00 H new ATOM 0 HB2 LYS A 28 93.071 -6.983 7.311 1.00 0.00 H new ATOM 0 HB3 LYS A 28 91.593 -6.341 8.001 1.00 0.00 H new ATOM 0 HG2 LYS A 28 91.733 -7.981 5.420 1.00 0.00 H new ATOM 0 HG3 LYS A 28 91.289 -8.631 6.985 1.00 0.00 H new ATOM 0 HD2 LYS A 28 89.129 -8.035 6.547 1.00 0.00 H new ATOM 0 HD3 LYS A 28 89.617 -6.357 6.678 1.00 0.00 H new ATOM 0 HE2 LYS A 28 90.379 -6.538 4.192 1.00 0.00 H new ATOM 0 HE3 LYS A 28 89.517 -8.063 4.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 88.183 -6.084 3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 87.480 -6.980 4.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 88.265 -5.513 5.047 1.00 0.00 H new ATOM 459 N ASN A 29 93.896 -3.938 7.058 1.00 0.00 N ATOM 460 CA ASN A 29 94.354 -2.751 7.833 1.00 0.00 C ATOM 461 C ASN A 29 94.056 -1.503 7.003 1.00 0.00 C ATOM 462 O ASN A 29 93.944 -0.396 7.504 1.00 0.00 O ATOM 463 CB ASN A 29 95.859 -2.855 8.090 1.00 0.00 C ATOM 464 CG ASN A 29 96.295 -1.738 9.040 1.00 0.00 C ATOM 465 OD1 ASN A 29 97.022 -0.756 8.582 1.00 0.00 O flip ATOM 466 ND2 ASN A 29 95.970 -1.758 10.210 1.00 0.00 N flip ATOM 0 H ASN A 29 94.635 -4.500 6.635 1.00 0.00 H new ATOM 0 HA ASN A 29 93.839 -2.700 8.792 1.00 0.00 H new ATOM 0 HB2 ASN A 29 96.098 -3.827 8.521 1.00 0.00 H new ATOM 0 HB3 ASN A 29 96.405 -2.780 7.150 1.00 0.00 H new ATOM 0 HD21 ASN A 29 95.402 -2.525 10.568 1.00 0.00 H new ATOM 0 HD22 ASN A 29 96.265 -1.007 10.834 1.00 0.00 H new ATOM 473 N ILE A 30 93.924 -1.688 5.724 1.00 0.00 N ATOM 474 CA ILE A 30 93.639 -0.547 4.820 1.00 0.00 C ATOM 475 C ILE A 30 92.129 -0.318 4.742 1.00 0.00 C ATOM 476 O ILE A 30 91.670 0.798 4.620 1.00 0.00 O ATOM 477 CB ILE A 30 94.200 -0.879 3.437 1.00 0.00 C ATOM 478 CG1 ILE A 30 95.623 -1.425 3.617 1.00 0.00 C ATOM 479 CG2 ILE A 30 94.219 0.380 2.549 1.00 0.00 C ATOM 480 CD1 ILE A 30 96.271 -1.657 2.250 1.00 0.00 C ATOM 0 H ILE A 30 94.003 -2.593 5.261 1.00 0.00 H new ATOM 0 HA ILE A 30 94.105 0.363 5.197 1.00 0.00 H new ATOM 0 HB ILE A 30 93.572 -1.624 2.948 1.00 0.00 H new ATOM 0 HG12 ILE A 30 96.220 -0.722 4.197 1.00 0.00 H new ATOM 0 HG13 ILE A 30 95.595 -2.359 4.179 1.00 0.00 H new ATOM 0 HG21 ILE A 30 94.621 0.127 1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 30 93.204 0.762 2.438 1.00 0.00 H new ATOM 0 HG23 ILE A 30 94.845 1.143 3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 30 97.281 -2.044 2.387 1.00 0.00 H new ATOM 0 HD12 ILE A 30 95.680 -2.377 1.684 1.00 0.00 H new ATOM 0 HD13 ILE A 30 96.315 -0.715 1.704 1.00 0.00 H new ATOM 492 N ASN A 31 91.353 -1.363 4.822 1.00 0.00 N ATOM 493 CA ASN A 31 89.875 -1.196 4.762 1.00 0.00 C ATOM 494 C ASN A 31 89.377 -0.680 6.108 1.00 0.00 C ATOM 495 O ASN A 31 88.292 -0.146 6.220 1.00 0.00 O ATOM 496 CB ASN A 31 89.216 -2.544 4.439 1.00 0.00 C ATOM 497 CG ASN A 31 89.000 -3.356 5.720 1.00 0.00 C ATOM 498 OD1 ASN A 31 88.066 -4.267 5.749 1.00 0.00 O flip ATOM 499 ND2 ASN A 31 89.686 -3.160 6.702 1.00 0.00 N flip ATOM 0 H ASN A 31 91.678 -2.324 4.926 1.00 0.00 H new ATOM 0 HA ASN A 31 89.615 -0.481 3.981 1.00 0.00 H new ATOM 0 HB2 ASN A 31 88.261 -2.378 3.941 1.00 0.00 H new ATOM 0 HB3 ASN A 31 89.843 -3.106 3.747 1.00 0.00 H new ATOM 0 HD21 ASN A 31 90.416 -2.448 6.680 1.00 0.00 H new ATOM 0 HD22 ASN A 31 89.532 -3.707 7.549 1.00 0.00 H new ATOM 506 N LYS A 32 90.168 -0.824 7.133 1.00 0.00 N ATOM 507 CA LYS A 32 89.737 -0.332 8.467 1.00 0.00 C ATOM 508 C LYS A 32 90.108 1.143 8.587 1.00 0.00 C ATOM 509 O LYS A 32 89.364 1.936 9.130 1.00 0.00 O ATOM 510 CB LYS A 32 90.413 -1.155 9.574 1.00 0.00 C ATOM 511 CG LYS A 32 91.855 -0.688 9.783 1.00 0.00 C ATOM 512 CD LYS A 32 92.555 -1.612 10.786 1.00 0.00 C ATOM 513 CE LYS A 32 92.070 -1.301 12.206 1.00 0.00 C ATOM 514 NZ LYS A 32 92.992 -1.932 13.192 1.00 0.00 N ATOM 0 H LYS A 32 91.090 -1.259 7.104 1.00 0.00 H new ATOM 0 HA LYS A 32 88.658 -0.443 8.576 1.00 0.00 H new ATOM 0 HB2 LYS A 32 89.853 -1.054 10.504 1.00 0.00 H new ATOM 0 HB3 LYS A 32 90.402 -2.212 9.308 1.00 0.00 H new ATOM 0 HG2 LYS A 32 92.391 -0.693 8.834 1.00 0.00 H new ATOM 0 HG3 LYS A 32 91.866 0.338 10.150 1.00 0.00 H new ATOM 0 HD2 LYS A 32 92.347 -2.654 10.541 1.00 0.00 H new ATOM 0 HD3 LYS A 32 93.635 -1.479 10.724 1.00 0.00 H new ATOM 0 HE2 LYS A 32 92.035 -0.223 12.362 1.00 0.00 H new ATOM 0 HE3 LYS A 32 91.057 -1.677 12.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 92.665 -1.722 14.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 93.004 -2.962 13.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 93.952 -1.553 13.062 1.00 0.00 H new ATOM 528 N HIS A 33 91.252 1.527 8.081 1.00 0.00 N ATOM 529 CA HIS A 33 91.644 2.961 8.175 1.00 0.00 C ATOM 530 C HIS A 33 90.974 3.759 7.042 1.00 0.00 C ATOM 531 O HIS A 33 90.873 4.968 7.109 1.00 0.00 O ATOM 532 CB HIS A 33 93.177 3.075 8.106 1.00 0.00 C ATOM 533 CG HIS A 33 93.596 3.886 6.911 1.00 0.00 C ATOM 534 ND1 HIS A 33 93.664 5.272 6.940 1.00 0.00 N ATOM 535 CD2 HIS A 33 93.978 3.517 5.649 1.00 0.00 C ATOM 536 CE1 HIS A 33 94.076 5.682 5.726 1.00 0.00 C ATOM 537 NE2 HIS A 33 94.281 4.651 4.905 1.00 0.00 N ATOM 0 H HIS A 33 91.922 0.917 7.613 1.00 0.00 H new ATOM 0 HA HIS A 33 91.309 3.378 9.125 1.00 0.00 H new ATOM 0 HB2 HIS A 33 93.554 3.540 9.017 1.00 0.00 H new ATOM 0 HB3 HIS A 33 93.619 2.080 8.050 1.00 0.00 H new ATOM 0 HD2 HIS A 33 94.035 2.501 5.287 1.00 0.00 H new ATOM 0 HE1 HIS A 33 94.222 6.716 5.451 1.00 0.00 H new ATOM 0 HE2 HIS A 33 94.594 4.687 3.935 1.00 0.00 H new ATOM 546 N THR A 34 90.499 3.097 6.013 1.00 0.00 N ATOM 547 CA THR A 34 89.818 3.831 4.896 1.00 0.00 C ATOM 548 C THR A 34 88.317 3.559 4.956 1.00 0.00 C ATOM 549 O THR A 34 87.541 4.150 4.232 1.00 0.00 O ATOM 550 CB THR A 34 90.340 3.349 3.537 1.00 0.00 C ATOM 551 OG1 THR A 34 90.129 1.950 3.421 1.00 0.00 O ATOM 552 CG2 THR A 34 91.831 3.657 3.401 1.00 0.00 C ATOM 0 H THR A 34 90.553 2.085 5.898 1.00 0.00 H new ATOM 0 HA THR A 34 90.023 4.896 5.007 1.00 0.00 H new ATOM 0 HB THR A 34 89.801 3.869 2.745 1.00 0.00 H new ATOM 0 HG1 THR A 34 90.868 1.471 3.851 1.00 0.00 H new ATOM 0 HG21 THR A 34 92.187 3.309 2.431 1.00 0.00 H new ATOM 0 HG22 THR A 34 91.989 4.732 3.481 1.00 0.00 H new ATOM 0 HG23 THR A 34 92.381 3.149 4.193 1.00 0.00 H new ATOM 560 N LYS A 35 87.901 2.658 5.803 1.00 0.00 N ATOM 561 CA LYS A 35 86.447 2.339 5.894 1.00 0.00 C ATOM 562 C LYS A 35 85.957 1.838 4.532 1.00 0.00 C ATOM 563 O LYS A 35 84.774 1.812 4.256 1.00 0.00 O ATOM 564 CB LYS A 35 85.663 3.593 6.293 1.00 0.00 C ATOM 565 CG LYS A 35 86.371 4.299 7.452 1.00 0.00 C ATOM 566 CD LYS A 35 86.435 3.362 8.661 1.00 0.00 C ATOM 567 CE LYS A 35 86.763 4.171 9.918 1.00 0.00 C ATOM 568 NZ LYS A 35 85.627 5.082 10.233 1.00 0.00 N ATOM 0 H LYS A 35 88.503 2.130 6.435 1.00 0.00 H new ATOM 0 HA LYS A 35 86.290 1.568 6.648 1.00 0.00 H new ATOM 0 HB2 LYS A 35 85.579 4.267 5.441 1.00 0.00 H new ATOM 0 HB3 LYS A 35 84.649 3.321 6.585 1.00 0.00 H new ATOM 0 HG2 LYS A 35 87.377 4.592 7.153 1.00 0.00 H new ATOM 0 HG3 LYS A 35 85.838 5.213 7.715 1.00 0.00 H new ATOM 0 HD2 LYS A 35 85.483 2.847 8.786 1.00 0.00 H new ATOM 0 HD3 LYS A 35 87.193 2.596 8.501 1.00 0.00 H new ATOM 0 HE2 LYS A 35 86.949 3.500 10.757 1.00 0.00 H new ATOM 0 HE3 LYS A 35 87.674 4.749 9.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 85.622 5.292 11.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 85.733 5.967 9.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 84.731 4.624 9.970 1.00 0.00 H new ATOM 582 N ARG A 36 86.863 1.439 3.680 1.00 0.00 N ATOM 583 CA ARG A 36 86.467 0.936 2.333 1.00 0.00 C ATOM 584 C ARG A 36 87.600 0.069 1.781 1.00 0.00 C ATOM 585 O ARG A 36 88.752 0.277 2.100 1.00 0.00 O ATOM 586 CB ARG A 36 86.222 2.124 1.396 1.00 0.00 C ATOM 587 CG ARG A 36 86.478 1.708 -0.061 1.00 0.00 C ATOM 588 CD ARG A 36 85.410 0.714 -0.527 1.00 0.00 C ATOM 589 NE ARG A 36 84.671 1.290 -1.686 1.00 0.00 N ATOM 590 CZ ARG A 36 85.300 1.542 -2.801 1.00 0.00 C ATOM 591 NH1 ARG A 36 86.577 1.290 -2.901 1.00 0.00 N ATOM 592 NH2 ARG A 36 84.653 2.045 -3.816 1.00 0.00 N ATOM 0 H ARG A 36 87.867 1.440 3.861 1.00 0.00 H new ATOM 0 HA ARG A 36 85.553 0.347 2.407 1.00 0.00 H new ATOM 0 HB2 ARG A 36 85.197 2.479 1.506 1.00 0.00 H new ATOM 0 HB3 ARG A 36 86.877 2.952 1.667 1.00 0.00 H new ATOM 0 HG2 ARG A 36 86.470 2.588 -0.704 1.00 0.00 H new ATOM 0 HG3 ARG A 36 87.467 1.257 -0.149 1.00 0.00 H new ATOM 0 HD2 ARG A 36 85.875 -0.230 -0.811 1.00 0.00 H new ATOM 0 HD3 ARG A 36 84.719 0.497 0.288 1.00 0.00 H new ATOM 0 HE ARG A 36 83.673 1.487 -1.608 1.00 0.00 H new ATOM 0 HH11 ARG A 36 87.083 0.896 -2.108 1.00 0.00 H new ATOM 0 HH12 ARG A 36 87.069 1.487 -3.773 1.00 0.00 H new ATOM 0 HH21 ARG A 36 83.655 2.241 -3.738 1.00 0.00 H new ATOM 0 HH22 ARG A 36 85.145 2.242 -4.688 1.00 0.00 H new ATOM 606 N CYS A 37 87.297 -0.891 0.946 1.00 0.00 N ATOM 607 CA CYS A 37 88.382 -1.738 0.389 1.00 0.00 C ATOM 608 C CYS A 37 88.869 -1.155 -0.938 1.00 0.00 C ATOM 609 O CYS A 37 88.278 -1.363 -1.978 1.00 0.00 O ATOM 610 CB CYS A 37 87.863 -3.156 0.180 1.00 0.00 C ATOM 611 SG CYS A 37 88.363 -4.177 1.590 1.00 0.00 S ATOM 0 H CYS A 37 86.354 -1.120 0.631 1.00 0.00 H new ATOM 0 HA CYS A 37 89.218 -1.762 1.088 1.00 0.00 H new ATOM 0 HB2 CYS A 37 86.777 -3.150 0.085 1.00 0.00 H new ATOM 0 HB3 CYS A 37 88.261 -3.571 -0.746 1.00 0.00 H new ATOM 616 N LYS A 38 89.947 -0.422 -0.886 1.00 0.00 N ATOM 617 CA LYS A 38 90.532 0.205 -2.112 1.00 0.00 C ATOM 618 C LYS A 38 90.327 -0.682 -3.351 1.00 0.00 C ATOM 619 O LYS A 38 90.450 -0.214 -4.464 1.00 0.00 O ATOM 620 CB LYS A 38 92.037 0.413 -1.893 1.00 0.00 C ATOM 621 CG LYS A 38 92.270 1.625 -0.982 1.00 0.00 C ATOM 622 CD LYS A 38 91.874 2.919 -1.712 1.00 0.00 C ATOM 623 CE LYS A 38 92.779 4.067 -1.252 1.00 0.00 C ATOM 624 NZ LYS A 38 93.101 3.898 0.192 1.00 0.00 N ATOM 0 H LYS A 38 90.460 -0.225 -0.027 1.00 0.00 H new ATOM 0 HA LYS A 38 90.028 1.156 -2.285 1.00 0.00 H new ATOM 0 HB2 LYS A 38 92.475 -0.479 -1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 38 92.535 0.566 -2.851 1.00 0.00 H new ATOM 0 HG2 LYS A 38 91.685 1.520 -0.068 1.00 0.00 H new ATOM 0 HG3 LYS A 38 93.318 1.671 -0.686 1.00 0.00 H new ATOM 0 HD2 LYS A 38 91.963 2.782 -2.790 1.00 0.00 H new ATOM 0 HD3 LYS A 38 90.831 3.160 -1.506 1.00 0.00 H new ATOM 0 HE2 LYS A 38 93.696 4.079 -1.841 1.00 0.00 H new ATOM 0 HE3 LYS A 38 92.282 5.023 -1.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 93.231 4.832 0.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 92.321 3.399 0.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 93.976 3.345 0.290 1.00 0.00 H new ATOM 638 N ASP A 39 90.023 -1.948 -3.180 1.00 0.00 N ATOM 639 CA ASP A 39 89.817 -2.842 -4.360 1.00 0.00 C ATOM 640 C ASP A 39 91.172 -3.332 -4.878 1.00 0.00 C ATOM 641 O ASP A 39 91.271 -4.377 -5.488 1.00 0.00 O ATOM 642 CB ASP A 39 89.074 -2.100 -5.481 1.00 0.00 C ATOM 643 CG ASP A 39 88.030 -1.159 -4.875 1.00 0.00 C ATOM 644 OD1 ASP A 39 87.190 -1.638 -4.132 1.00 0.00 O ATOM 645 OD2 ASP A 39 88.089 0.025 -5.165 1.00 0.00 O ATOM 0 H ASP A 39 89.909 -2.399 -2.272 1.00 0.00 H new ATOM 0 HA ASP A 39 89.213 -3.694 -4.048 1.00 0.00 H new ATOM 0 HB2 ASP A 39 89.782 -1.532 -6.085 1.00 0.00 H new ATOM 0 HB3 ASP A 39 88.590 -2.816 -6.145 1.00 0.00 H new ATOM 650 N LEU A 40 92.220 -2.590 -4.641 1.00 0.00 N ATOM 651 CA LEU A 40 93.564 -3.025 -5.123 1.00 0.00 C ATOM 652 C LEU A 40 94.640 -2.517 -4.155 1.00 0.00 C ATOM 653 O LEU A 40 94.586 -1.400 -3.681 1.00 0.00 O ATOM 654 CB LEU A 40 93.812 -2.448 -6.532 1.00 0.00 C ATOM 655 CG LEU A 40 94.160 -3.557 -7.540 1.00 0.00 C ATOM 656 CD1 LEU A 40 95.444 -4.291 -7.121 1.00 0.00 C ATOM 657 CD2 LEU A 40 92.996 -4.550 -7.638 1.00 0.00 C ATOM 0 H LEU A 40 92.205 -1.704 -4.136 1.00 0.00 H new ATOM 0 HA LEU A 40 93.606 -4.113 -5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 40 92.924 -1.913 -6.869 1.00 0.00 H new ATOM 0 HB3 LEU A 40 94.625 -1.723 -6.492 1.00 0.00 H new ATOM 0 HG LEU A 40 94.329 -3.101 -8.515 1.00 0.00 H new ATOM 0 HD11 LEU A 40 95.671 -5.071 -7.848 1.00 0.00 H new ATOM 0 HD12 LEU A 40 96.271 -3.582 -7.079 1.00 0.00 H new ATOM 0 HD13 LEU A 40 95.302 -4.741 -6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 40 93.246 -5.334 -8.353 1.00 0.00 H new ATOM 0 HD22 LEU A 40 92.814 -4.995 -6.660 1.00 0.00 H new ATOM 0 HD23 LEU A 40 92.099 -4.028 -7.971 1.00 0.00 H new ATOM 669 N ASN A 41 95.616 -3.334 -3.858 1.00 0.00 N ATOM 670 CA ASN A 41 96.696 -2.907 -2.923 1.00 0.00 C ATOM 671 C ASN A 41 97.982 -3.660 -3.256 1.00 0.00 C ATOM 672 O ASN A 41 98.018 -4.873 -3.269 1.00 0.00 O ATOM 673 CB ASN A 41 96.276 -3.216 -1.488 1.00 0.00 C ATOM 674 CG ASN A 41 95.050 -2.375 -1.132 1.00 0.00 C ATOM 675 OD1 ASN A 41 93.932 -2.839 -1.233 1.00 0.00 O ATOM 676 ND2 ASN A 41 95.212 -1.147 -0.723 1.00 0.00 N ATOM 0 H ASN A 41 95.711 -4.281 -4.224 1.00 0.00 H new ATOM 0 HA ASN A 41 96.868 -1.836 -3.026 1.00 0.00 H new ATOM 0 HB2 ASN A 41 96.047 -4.277 -1.384 1.00 0.00 H new ATOM 0 HB3 ASN A 41 97.094 -2.997 -0.802 1.00 0.00 H new ATOM 0 HD21 ASN A 41 94.400 -0.576 -0.488 1.00 0.00 H new ATOM 0 HD22 ASN A 41 96.151 -0.757 -0.638 1.00 0.00 H new ATOM 683 N THR A 42 99.040 -2.946 -3.530 1.00 0.00 N ATOM 684 CA THR A 42 100.329 -3.612 -3.870 1.00 0.00 C ATOM 685 C THR A 42 101.260 -3.578 -2.658 1.00 0.00 C ATOM 686 O THR A 42 101.170 -2.714 -1.811 1.00 0.00 O ATOM 687 CB THR A 42 100.993 -2.881 -5.046 1.00 0.00 C ATOM 688 OG1 THR A 42 100.573 -1.524 -5.052 1.00 0.00 O ATOM 689 CG2 THR A 42 100.596 -3.541 -6.372 1.00 0.00 C ATOM 0 H THR A 42 99.067 -1.926 -3.533 1.00 0.00 H new ATOM 0 HA THR A 42 100.136 -4.648 -4.150 1.00 0.00 H new ATOM 0 HB THR A 42 102.076 -2.935 -4.933 1.00 0.00 H new ATOM 0 HG1 THR A 42 100.865 -1.095 -5.883 1.00 0.00 H new ATOM 0 HG21 THR A 42 101.073 -3.014 -7.198 1.00 0.00 H new ATOM 0 HG22 THR A 42 100.919 -4.582 -6.371 1.00 0.00 H new ATOM 0 HG23 THR A 42 99.513 -3.497 -6.491 1.00 0.00 H new ATOM 697 N PHE A 43 102.151 -4.524 -2.577 1.00 0.00 N ATOM 698 CA PHE A 43 103.109 -4.576 -1.437 1.00 0.00 C ATOM 699 C PHE A 43 104.503 -4.877 -2.009 1.00 0.00 C ATOM 700 O PHE A 43 104.618 -5.412 -3.088 1.00 0.00 O ATOM 701 CB PHE A 43 102.681 -5.691 -0.469 1.00 0.00 C ATOM 702 CG PHE A 43 101.327 -5.370 0.140 1.00 0.00 C ATOM 703 CD1 PHE A 43 100.172 -5.396 -0.653 1.00 0.00 C ATOM 704 CD2 PHE A 43 101.224 -5.042 1.501 1.00 0.00 C ATOM 705 CE1 PHE A 43 98.926 -5.097 -0.090 1.00 0.00 C ATOM 706 CE2 PHE A 43 99.977 -4.741 2.061 1.00 0.00 C ATOM 707 CZ PHE A 43 98.829 -4.768 1.265 1.00 0.00 C ATOM 0 H PHE A 43 102.258 -5.274 -3.260 1.00 0.00 H new ATOM 0 HA PHE A 43 103.124 -3.630 -0.895 1.00 0.00 H new ATOM 0 HB2 PHE A 43 102.633 -6.643 -0.998 1.00 0.00 H new ATOM 0 HB3 PHE A 43 103.425 -5.802 0.320 1.00 0.00 H new ATOM 0 HD1 PHE A 43 100.243 -5.647 -1.701 1.00 0.00 H new ATOM 0 HD2 PHE A 43 102.110 -5.022 2.118 1.00 0.00 H new ATOM 0 HE1 PHE A 43 98.038 -5.121 -0.704 1.00 0.00 H new ATOM 0 HE2 PHE A 43 99.902 -4.488 3.108 1.00 0.00 H new ATOM 0 HZ PHE A 43 97.867 -4.535 1.697 1.00 0.00 H new ATOM 717 N LEU A 44 105.562 -4.535 -1.313 1.00 0.00 N ATOM 718 CA LEU A 44 106.937 -4.812 -1.851 1.00 0.00 C ATOM 719 C LEU A 44 107.665 -5.762 -0.886 1.00 0.00 C ATOM 720 O LEU A 44 107.426 -5.730 0.305 1.00 0.00 O ATOM 721 CB LEU A 44 107.702 -3.487 -2.001 1.00 0.00 C ATOM 722 CG LEU A 44 106.901 -2.533 -2.901 1.00 0.00 C ATOM 723 CD1 LEU A 44 107.674 -1.225 -3.109 1.00 0.00 C ATOM 724 CD2 LEU A 44 106.665 -3.195 -4.257 1.00 0.00 C ATOM 0 H LEU A 44 105.537 -4.079 -0.401 1.00 0.00 H new ATOM 0 HA LEU A 44 106.875 -5.285 -2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 44 107.861 -3.034 -1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 44 108.687 -3.670 -2.432 1.00 0.00 H new ATOM 0 HG LEU A 44 105.947 -2.313 -2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 44 107.095 -0.558 -3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 44 107.845 -0.746 -2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 44 108.632 -1.440 -3.582 1.00 0.00 H new ATOM 0 HD21 LEU A 44 106.097 -2.520 -4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 44 107.624 -3.418 -4.725 1.00 0.00 H new ATOM 0 HD23 LEU A 44 106.105 -4.120 -4.118 1.00 0.00 H new ATOM 736 N HIS A 45 108.534 -6.629 -1.376 1.00 0.00 N ATOM 737 CA HIS A 45 109.223 -7.587 -0.439 1.00 0.00 C ATOM 738 C HIS A 45 110.653 -7.150 -0.178 1.00 0.00 C ATOM 739 O HIS A 45 111.602 -7.748 -0.647 1.00 0.00 O ATOM 740 CB HIS A 45 109.233 -9.012 -1.012 1.00 0.00 C ATOM 741 CG HIS A 45 109.196 -10.010 0.115 1.00 0.00 C ATOM 742 ND1 HIS A 45 108.415 -11.156 0.063 1.00 0.00 N ATOM 743 CD2 HIS A 45 109.839 -10.048 1.328 1.00 0.00 C ATOM 744 CE1 HIS A 45 108.605 -11.829 1.213 1.00 0.00 C ATOM 745 NE2 HIS A 45 109.463 -11.196 2.016 1.00 0.00 N ATOM 0 H HIS A 45 108.790 -6.713 -2.360 1.00 0.00 H new ATOM 0 HA HIS A 45 108.664 -7.582 0.497 1.00 0.00 H new ATOM 0 HB2 HIS A 45 108.375 -9.157 -1.668 1.00 0.00 H new ATOM 0 HB3 HIS A 45 110.126 -9.165 -1.618 1.00 0.00 H new ATOM 0 HD2 HIS A 45 110.530 -9.302 1.691 1.00 0.00 H new ATOM 0 HE1 HIS A 45 108.123 -12.765 1.456 1.00 0.00 H new ATOM 0 HE2 HIS A 45 109.777 -11.492 2.940 1.00 0.00 H new ATOM 754 N GLU A 46 110.814 -6.126 0.588 1.00 0.00 N ATOM 755 CA GLU A 46 112.178 -5.656 0.913 1.00 0.00 C ATOM 756 C GLU A 46 112.107 -4.903 2.248 1.00 0.00 C ATOM 757 O GLU A 46 111.268 -4.047 2.425 1.00 0.00 O ATOM 758 CB GLU A 46 112.662 -4.740 -0.216 1.00 0.00 C ATOM 759 CG GLU A 46 114.115 -4.337 0.031 1.00 0.00 C ATOM 760 CD GLU A 46 115.046 -5.466 -0.418 1.00 0.00 C ATOM 761 OE1 GLU A 46 114.808 -6.016 -1.481 1.00 0.00 O ATOM 762 OE2 GLU A 46 115.980 -5.762 0.310 1.00 0.00 O ATOM 0 H GLU A 46 110.057 -5.587 1.008 1.00 0.00 H new ATOM 0 HA GLU A 46 112.880 -6.485 1.006 1.00 0.00 H new ATOM 0 HB2 GLU A 46 112.575 -5.252 -1.174 1.00 0.00 H new ATOM 0 HB3 GLU A 46 112.033 -3.852 -0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 46 114.347 -3.422 -0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 46 114.269 -4.124 1.089 1.00 0.00 H new ATOM 769 N PRO A 47 112.947 -5.226 3.201 1.00 0.00 N ATOM 770 CA PRO A 47 112.917 -4.546 4.524 1.00 0.00 C ATOM 771 C PRO A 47 112.908 -3.025 4.386 1.00 0.00 C ATOM 772 O PRO A 47 113.748 -2.447 3.726 1.00 0.00 O ATOM 773 CB PRO A 47 114.194 -5.004 5.223 1.00 0.00 C ATOM 774 CG PRO A 47 114.589 -6.284 4.553 1.00 0.00 C ATOM 775 CD PRO A 47 113.999 -6.256 3.137 1.00 0.00 C ATOM 0 HA PRO A 47 112.013 -4.800 5.078 1.00 0.00 H new ATOM 0 HB2 PRO A 47 114.981 -4.255 5.130 1.00 0.00 H new ATOM 0 HB3 PRO A 47 114.023 -5.157 6.289 1.00 0.00 H new ATOM 0 HG2 PRO A 47 115.674 -6.380 4.516 1.00 0.00 H new ATOM 0 HG3 PRO A 47 114.212 -7.142 5.110 1.00 0.00 H new ATOM 0 HD2 PRO A 47 114.757 -6.005 2.395 1.00 0.00 H new ATOM 0 HD3 PRO A 47 113.589 -7.227 2.858 1.00 0.00 H new ATOM 783 N PHE A 48 111.964 -2.380 5.005 1.00 0.00 N ATOM 784 CA PHE A 48 111.881 -0.893 4.928 1.00 0.00 C ATOM 785 C PHE A 48 113.273 -0.291 5.058 1.00 0.00 C ATOM 786 O PHE A 48 113.498 0.826 4.675 1.00 0.00 O ATOM 787 CB PHE A 48 110.971 -0.391 6.040 1.00 0.00 C ATOM 788 CG PHE A 48 109.926 -1.456 6.308 1.00 0.00 C ATOM 789 CD1 PHE A 48 109.364 -2.170 5.235 1.00 0.00 C ATOM 790 CD2 PHE A 48 109.527 -1.744 7.618 1.00 0.00 C ATOM 791 CE1 PHE A 48 108.411 -3.160 5.475 1.00 0.00 C ATOM 792 CE2 PHE A 48 108.569 -2.739 7.856 1.00 0.00 C ATOM 793 CZ PHE A 48 108.012 -3.446 6.784 1.00 0.00 C ATOM 0 H PHE A 48 111.237 -2.822 5.568 1.00 0.00 H new ATOM 0 HA PHE A 48 111.468 -0.591 3.965 1.00 0.00 H new ATOM 0 HB2 PHE A 48 111.548 -0.188 6.942 1.00 0.00 H new ATOM 0 HB3 PHE A 48 110.495 0.545 5.749 1.00 0.00 H new ATOM 0 HD1 PHE A 48 109.671 -1.951 4.223 1.00 0.00 H new ATOM 0 HD2 PHE A 48 109.957 -1.200 8.446 1.00 0.00 H new ATOM 0 HE1 PHE A 48 107.981 -3.706 4.649 1.00 0.00 H new ATOM 0 HE2 PHE A 48 108.260 -2.960 8.867 1.00 0.00 H new ATOM 0 HZ PHE A 48 107.274 -4.213 6.968 1.00 0.00 H new ATOM 803 N SER A 49 114.210 -1.028 5.579 1.00 0.00 N ATOM 804 CA SER A 49 115.590 -0.492 5.701 1.00 0.00 C ATOM 805 C SER A 49 116.243 -0.526 4.317 1.00 0.00 C ATOM 806 O SER A 49 116.980 0.367 3.940 1.00 0.00 O ATOM 807 CB SER A 49 116.395 -1.359 6.671 1.00 0.00 C ATOM 808 OG SER A 49 115.958 -1.106 8.000 1.00 0.00 O ATOM 0 H SER A 49 114.080 -1.978 5.926 1.00 0.00 H new ATOM 0 HA SER A 49 115.564 0.530 6.080 1.00 0.00 H new ATOM 0 HB2 SER A 49 116.265 -2.414 6.428 1.00 0.00 H new ATOM 0 HB3 SER A 49 117.458 -1.139 6.577 1.00 0.00 H new ATOM 0 HG SER A 49 116.470 -1.661 8.624 1.00 0.00 H new ATOM 814 N SER A 50 115.955 -1.541 3.543 1.00 0.00 N ATOM 815 CA SER A 50 116.539 -1.620 2.178 1.00 0.00 C ATOM 816 C SER A 50 115.647 -0.815 1.237 1.00 0.00 C ATOM 817 O SER A 50 116.121 -0.063 0.415 1.00 0.00 O ATOM 818 CB SER A 50 116.621 -3.082 1.731 1.00 0.00 C ATOM 819 OG SER A 50 117.963 -3.533 1.858 1.00 0.00 O ATOM 0 H SER A 50 115.342 -2.315 3.800 1.00 0.00 H new ATOM 0 HA SER A 50 117.549 -1.211 2.168 1.00 0.00 H new ATOM 0 HB2 SER A 50 115.958 -3.699 2.338 1.00 0.00 H new ATOM 0 HB3 SER A 50 116.288 -3.178 0.698 1.00 0.00 H new ATOM 0 HG SER A 50 117.995 -4.504 1.730 1.00 0.00 H new ATOM 825 N VAL A 51 114.352 -0.933 1.381 1.00 0.00 N ATOM 826 CA VAL A 51 113.440 -0.127 0.523 1.00 0.00 C ATOM 827 C VAL A 51 113.697 1.330 0.886 1.00 0.00 C ATOM 828 O VAL A 51 113.628 2.222 0.065 1.00 0.00 O ATOM 829 CB VAL A 51 111.975 -0.482 0.824 1.00 0.00 C ATOM 830 CG1 VAL A 51 111.154 -0.461 -0.470 1.00 0.00 C ATOM 831 CG2 VAL A 51 111.902 -1.879 1.441 1.00 0.00 C ATOM 0 H VAL A 51 113.891 -1.549 2.051 1.00 0.00 H new ATOM 0 HA VAL A 51 113.620 -0.320 -0.535 1.00 0.00 H new ATOM 0 HB VAL A 51 111.570 0.251 1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 51 110.117 -0.714 -0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 51 111.198 0.534 -0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 51 111.562 -1.189 -1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 51 110.863 -2.129 1.654 1.00 0.00 H new ATOM 0 HG22 VAL A 51 112.315 -2.607 0.743 1.00 0.00 H new ATOM 0 HG23 VAL A 51 112.477 -1.898 2.367 1.00 0.00 H new ATOM 841 N ALA A 52 114.019 1.556 2.134 1.00 0.00 N ATOM 842 CA ALA A 52 114.317 2.931 2.601 1.00 0.00 C ATOM 843 C ALA A 52 115.449 3.478 1.736 1.00 0.00 C ATOM 844 O ALA A 52 115.330 4.515 1.114 1.00 0.00 O ATOM 845 CB ALA A 52 114.767 2.889 4.067 1.00 0.00 C ATOM 0 H ALA A 52 114.087 0.835 2.852 1.00 0.00 H new ATOM 0 HA ALA A 52 113.433 3.563 2.523 1.00 0.00 H new ATOM 0 HB1 ALA A 52 114.986 3.900 4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 52 113.973 2.462 4.679 1.00 0.00 H new ATOM 0 HB3 ALA A 52 115.663 2.274 4.155 1.00 0.00 H new ATOM 851 N ALA A 53 116.546 2.767 1.681 1.00 0.00 N ATOM 852 CA ALA A 53 117.687 3.223 0.841 1.00 0.00 C ATOM 853 C ALA A 53 117.263 3.179 -0.626 1.00 0.00 C ATOM 854 O ALA A 53 117.690 3.984 -1.430 1.00 0.00 O ATOM 855 CB ALA A 53 118.887 2.299 1.057 1.00 0.00 C ATOM 0 H ALA A 53 116.698 1.892 2.182 1.00 0.00 H new ATOM 0 HA ALA A 53 117.968 4.239 1.117 1.00 0.00 H new ATOM 0 HB1 ALA A 53 119.721 2.635 0.441 1.00 0.00 H new ATOM 0 HB2 ALA A 53 119.179 2.322 2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 53 118.617 1.281 0.778 1.00 0.00 H new ATOM 861 N THR A 54 116.412 2.253 -0.980 1.00 0.00 N ATOM 862 CA THR A 54 115.948 2.175 -2.390 1.00 0.00 C ATOM 863 C THR A 54 115.277 3.497 -2.735 1.00 0.00 C ATOM 864 O THR A 54 115.365 3.983 -3.846 1.00 0.00 O ATOM 865 CB THR A 54 114.936 1.029 -2.551 1.00 0.00 C ATOM 866 OG1 THR A 54 115.473 -0.156 -1.981 1.00 0.00 O ATOM 867 CG2 THR A 54 114.645 0.794 -4.036 1.00 0.00 C ATOM 0 H THR A 54 116.021 1.550 -0.353 1.00 0.00 H new ATOM 0 HA THR A 54 116.793 1.987 -3.053 1.00 0.00 H new ATOM 0 HB THR A 54 114.009 1.294 -2.043 1.00 0.00 H new ATOM 0 HG1 THR A 54 115.527 -0.056 -1.008 1.00 0.00 H new ATOM 0 HG21 THR A 54 113.927 -0.019 -4.142 1.00 0.00 H new ATOM 0 HG22 THR A 54 114.231 1.702 -4.474 1.00 0.00 H new ATOM 0 HG23 THR A 54 115.569 0.532 -4.551 1.00 0.00 H new ATOM 875 N CYS A 55 114.612 4.097 -1.785 1.00 0.00 N ATOM 876 CA CYS A 55 113.945 5.387 -2.071 1.00 0.00 C ATOM 877 C CYS A 55 114.990 6.503 -2.085 1.00 0.00 C ATOM 878 O CYS A 55 114.683 7.658 -1.867 1.00 0.00 O ATOM 879 CB CYS A 55 112.876 5.671 -1.016 1.00 0.00 C ATOM 880 SG CYS A 55 111.573 6.689 -1.752 1.00 0.00 S ATOM 0 H CYS A 55 114.505 3.749 -0.832 1.00 0.00 H new ATOM 0 HA CYS A 55 113.460 5.338 -3.046 1.00 0.00 H new ATOM 0 HB2 CYS A 55 112.457 4.736 -0.644 1.00 0.00 H new ATOM 0 HB3 CYS A 55 113.318 6.185 -0.162 1.00 0.00 H new ATOM 885 N GLN A 56 116.228 6.160 -2.338 1.00 0.00 N ATOM 886 CA GLN A 56 117.308 7.190 -2.367 1.00 0.00 C ATOM 887 C GLN A 56 117.914 7.274 -3.773 1.00 0.00 C ATOM 888 O GLN A 56 118.650 8.190 -4.080 1.00 0.00 O ATOM 889 CB GLN A 56 118.400 6.803 -1.368 1.00 0.00 C ATOM 890 CG GLN A 56 119.322 8.001 -1.129 1.00 0.00 C ATOM 891 CD GLN A 56 120.343 7.651 -0.045 1.00 0.00 C ATOM 892 OE1 GLN A 56 120.051 7.736 1.131 1.00 0.00 O ATOM 893 NE2 GLN A 56 121.538 7.258 -0.394 1.00 0.00 N ATOM 0 H GLN A 56 116.537 5.206 -2.526 1.00 0.00 H new ATOM 0 HA GLN A 56 116.887 8.159 -2.100 1.00 0.00 H new ATOM 0 HB2 GLN A 56 117.951 6.483 -0.428 1.00 0.00 H new ATOM 0 HB3 GLN A 56 118.974 5.959 -1.750 1.00 0.00 H new ATOM 0 HG2 GLN A 56 119.834 8.269 -2.053 1.00 0.00 H new ATOM 0 HG3 GLN A 56 118.737 8.869 -0.826 1.00 0.00 H new ATOM 0 HE21 GLN A 56 121.783 7.187 -1.381 1.00 0.00 H new ATOM 0 HE22 GLN A 56 122.226 7.022 0.321 1.00 0.00 H new ATOM 902 N THR A 57 117.619 6.333 -4.634 1.00 0.00 N ATOM 903 CA THR A 57 118.199 6.391 -6.012 1.00 0.00 C ATOM 904 C THR A 57 117.584 7.574 -6.769 1.00 0.00 C ATOM 905 O THR A 57 116.536 8.068 -6.410 1.00 0.00 O ATOM 906 CB THR A 57 117.901 5.086 -6.768 1.00 0.00 C ATOM 907 OG1 THR A 57 117.423 5.388 -8.072 1.00 0.00 O ATOM 908 CG2 THR A 57 116.843 4.281 -6.017 1.00 0.00 C ATOM 0 H THR A 57 117.010 5.537 -4.447 1.00 0.00 H new ATOM 0 HA THR A 57 119.279 6.519 -5.941 1.00 0.00 H new ATOM 0 HB THR A 57 118.817 4.500 -6.841 1.00 0.00 H new ATOM 0 HG1 THR A 57 117.235 4.555 -8.553 1.00 0.00 H new ATOM 0 HG21 THR A 57 116.636 3.358 -6.558 1.00 0.00 H new ATOM 0 HG22 THR A 57 117.208 4.042 -5.018 1.00 0.00 H new ATOM 0 HG23 THR A 57 115.928 4.868 -5.938 1.00 0.00 H new ATOM 916 N PRO A 58 118.231 8.023 -7.813 1.00 0.00 N ATOM 917 CA PRO A 58 117.740 9.160 -8.633 1.00 0.00 C ATOM 918 C PRO A 58 116.212 9.158 -8.751 1.00 0.00 C ATOM 919 O PRO A 58 115.624 8.238 -9.282 1.00 0.00 O ATOM 920 CB PRO A 58 118.398 8.912 -9.989 1.00 0.00 C ATOM 921 CG PRO A 58 119.692 8.225 -9.674 1.00 0.00 C ATOM 922 CD PRO A 58 119.504 7.496 -8.332 1.00 0.00 C ATOM 0 HA PRO A 58 117.986 10.130 -8.202 1.00 0.00 H new ATOM 0 HB2 PRO A 58 117.767 8.292 -10.626 1.00 0.00 H new ATOM 0 HB3 PRO A 58 118.568 9.847 -10.522 1.00 0.00 H new ATOM 0 HG2 PRO A 58 119.955 7.519 -10.462 1.00 0.00 H new ATOM 0 HG3 PRO A 58 120.506 8.948 -9.609 1.00 0.00 H new ATOM 0 HD2 PRO A 58 119.462 6.415 -8.468 1.00 0.00 H new ATOM 0 HD3 PRO A 58 120.328 7.700 -7.649 1.00 0.00 H new ATOM 930 N LYS A 59 115.565 10.173 -8.244 1.00 0.00 N ATOM 931 CA LYS A 59 114.077 10.211 -8.314 1.00 0.00 C ATOM 932 C LYS A 59 113.620 10.713 -9.684 1.00 0.00 C ATOM 933 O LYS A 59 114.353 10.676 -10.652 1.00 0.00 O ATOM 934 CB LYS A 59 113.532 11.139 -7.223 1.00 0.00 C ATOM 935 CG LYS A 59 114.261 12.488 -7.265 1.00 0.00 C ATOM 936 CD LYS A 59 115.296 12.548 -6.140 1.00 0.00 C ATOM 937 CE LYS A 59 116.299 13.668 -6.423 1.00 0.00 C ATOM 938 NZ LYS A 59 117.092 13.948 -5.193 1.00 0.00 N ATOM 0 H LYS A 59 116.001 10.974 -7.786 1.00 0.00 H new ATOM 0 HA LYS A 59 113.695 9.202 -8.162 1.00 0.00 H new ATOM 0 HB2 LYS A 59 112.462 11.291 -7.365 1.00 0.00 H new ATOM 0 HB3 LYS A 59 113.661 10.677 -6.244 1.00 0.00 H new ATOM 0 HG2 LYS A 59 114.750 12.618 -8.230 1.00 0.00 H new ATOM 0 HG3 LYS A 59 113.545 13.303 -7.158 1.00 0.00 H new ATOM 0 HD2 LYS A 59 114.800 12.723 -5.185 1.00 0.00 H new ATOM 0 HD3 LYS A 59 115.815 11.593 -6.059 1.00 0.00 H new ATOM 0 HE2 LYS A 59 116.962 13.379 -7.238 1.00 0.00 H new ATOM 0 HE3 LYS A 59 115.774 14.568 -6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 117.774 14.709 -5.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 116.453 14.241 -4.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 117.604 13.089 -4.907 1.00 0.00 H new ATOM 952 N ILE A 60 112.401 11.169 -9.766 1.00 0.00 N ATOM 953 CA ILE A 60 111.860 11.662 -11.063 1.00 0.00 C ATOM 954 C ILE A 60 110.715 12.639 -10.782 1.00 0.00 C ATOM 955 O ILE A 60 110.011 12.507 -9.802 1.00 0.00 O ATOM 956 CB ILE A 60 111.327 10.469 -11.879 1.00 0.00 C ATOM 957 CG1 ILE A 60 111.119 9.257 -10.949 1.00 0.00 C ATOM 958 CG2 ILE A 60 112.329 10.103 -12.979 1.00 0.00 C ATOM 959 CD1 ILE A 60 109.919 8.429 -11.417 1.00 0.00 C ATOM 0 H ILE A 60 111.751 11.221 -8.982 1.00 0.00 H new ATOM 0 HA ILE A 60 112.646 12.165 -11.627 1.00 0.00 H new ATOM 0 HB ILE A 60 110.376 10.744 -12.335 1.00 0.00 H new ATOM 0 HG12 ILE A 60 112.016 8.638 -10.941 1.00 0.00 H new ATOM 0 HG13 ILE A 60 110.958 9.598 -9.926 1.00 0.00 H new ATOM 0 HG21 ILE A 60 111.947 9.259 -13.553 1.00 0.00 H new ATOM 0 HG22 ILE A 60 112.471 10.957 -13.641 1.00 0.00 H new ATOM 0 HG23 ILE A 60 113.283 9.832 -12.527 1.00 0.00 H new ATOM 0 HD11 ILE A 60 109.783 7.576 -10.752 1.00 0.00 H new ATOM 0 HD12 ILE A 60 109.022 9.048 -11.401 1.00 0.00 H new ATOM 0 HD13 ILE A 60 110.096 8.073 -12.432 1.00 0.00 H new ATOM 971 N ALA A 61 110.519 13.613 -11.631 1.00 0.00 N ATOM 972 CA ALA A 61 109.415 14.589 -11.400 1.00 0.00 C ATOM 973 C ALA A 61 108.123 13.835 -11.087 1.00 0.00 C ATOM 974 O ALA A 61 107.310 13.587 -11.955 1.00 0.00 O ATOM 975 CB ALA A 61 109.207 15.445 -12.649 1.00 0.00 C ATOM 0 H ALA A 61 111.074 13.774 -12.472 1.00 0.00 H new ATOM 0 HA ALA A 61 109.679 15.232 -10.560 1.00 0.00 H new ATOM 0 HB1 ALA A 61 108.399 16.155 -12.473 1.00 0.00 H new ATOM 0 HB2 ALA A 61 110.125 15.988 -12.875 1.00 0.00 H new ATOM 0 HB3 ALA A 61 108.948 14.803 -13.491 1.00 0.00 H new ATOM 981 N CYS A 62 107.929 13.470 -9.851 1.00 0.00 N ATOM 982 CA CYS A 62 106.694 12.734 -9.469 1.00 0.00 C ATOM 983 C CYS A 62 105.480 13.396 -10.119 1.00 0.00 C ATOM 984 O CYS A 62 105.052 13.017 -11.191 1.00 0.00 O ATOM 985 CB CYS A 62 106.540 12.779 -7.951 1.00 0.00 C ATOM 986 SG CYS A 62 107.832 11.781 -7.185 1.00 0.00 S ATOM 0 H CYS A 62 108.577 13.651 -9.085 1.00 0.00 H new ATOM 0 HA CYS A 62 106.764 11.700 -9.806 1.00 0.00 H new ATOM 0 HB2 CYS A 62 106.604 13.809 -7.599 1.00 0.00 H new ATOM 0 HB3 CYS A 62 105.558 12.404 -7.663 1.00 0.00 H new ATOM 991 N LYS A 63 104.924 14.385 -9.478 1.00 0.00 N ATOM 992 CA LYS A 63 103.740 15.074 -10.058 1.00 0.00 C ATOM 993 C LYS A 63 104.133 15.729 -11.379 1.00 0.00 C ATOM 994 O LYS A 63 103.788 15.265 -12.448 1.00 0.00 O ATOM 995 CB LYS A 63 103.247 16.147 -9.082 1.00 0.00 C ATOM 996 CG LYS A 63 102.475 15.489 -7.930 1.00 0.00 C ATOM 997 CD LYS A 63 101.005 15.315 -8.321 1.00 0.00 C ATOM 998 CE LYS A 63 100.234 14.705 -7.149 1.00 0.00 C ATOM 999 NZ LYS A 63 100.096 15.717 -6.064 1.00 0.00 N ATOM 0 H LYS A 63 105.239 14.746 -8.577 1.00 0.00 H new ATOM 0 HA LYS A 63 102.945 14.350 -10.233 1.00 0.00 H new ATOM 0 HB2 LYS A 63 104.093 16.710 -8.689 1.00 0.00 H new ATOM 0 HB3 LYS A 63 102.605 16.858 -9.603 1.00 0.00 H new ATOM 0 HG2 LYS A 63 102.914 14.520 -7.693 1.00 0.00 H new ATOM 0 HG3 LYS A 63 102.552 16.102 -7.032 1.00 0.00 H new ATOM 0 HD2 LYS A 63 100.573 16.278 -8.592 1.00 0.00 H new ATOM 0 HD3 LYS A 63 100.924 14.672 -9.197 1.00 0.00 H new ATOM 0 HE2 LYS A 63 99.249 14.375 -7.480 1.00 0.00 H new ATOM 0 HE3 LYS A 63 100.756 13.824 -6.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 99.347 15.421 -5.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 100.996 15.799 -5.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 99.849 16.638 -6.478 1.00 0.00 H new ATOM 1013 N ASN A 64 104.859 16.805 -11.307 1.00 0.00 N ATOM 1014 CA ASN A 64 105.295 17.511 -12.542 1.00 0.00 C ATOM 1015 C ASN A 64 106.602 18.229 -12.235 1.00 0.00 C ATOM 1016 O ASN A 64 106.948 19.219 -12.848 1.00 0.00 O ATOM 1017 CB ASN A 64 104.232 18.531 -12.945 1.00 0.00 C ATOM 1018 CG ASN A 64 104.431 18.932 -14.408 1.00 0.00 C ATOM 1019 OD1 ASN A 64 103.462 18.744 -15.261 1.00 0.00 O flip ATOM 1020 ND2 ASN A 64 105.480 19.420 -14.779 1.00 0.00 N flip ATOM 0 H ASN A 64 105.173 17.232 -10.435 1.00 0.00 H new ATOM 0 HA ASN A 64 105.434 16.803 -13.359 1.00 0.00 H new ATOM 0 HB2 ASN A 64 103.237 18.108 -12.806 1.00 0.00 H new ATOM 0 HB3 ASN A 64 104.297 19.411 -12.305 1.00 0.00 H new ATOM 0 HD21 ASN A 64 106.238 19.567 -14.112 1.00 0.00 H new ATOM 0 HD22 ASN A 64 105.603 19.682 -15.757 1.00 0.00 H new ATOM 1027 N GLY A 65 107.320 17.731 -11.272 1.00 0.00 N ATOM 1028 CA GLY A 65 108.607 18.365 -10.884 1.00 0.00 C ATOM 1029 C GLY A 65 108.826 18.173 -9.383 1.00 0.00 C ATOM 1030 O GLY A 65 109.707 18.769 -8.797 1.00 0.00 O ATOM 0 H GLY A 65 107.068 16.904 -10.731 1.00 0.00 H new ATOM 0 HA2 GLY A 65 109.429 17.920 -11.444 1.00 0.00 H new ATOM 0 HA3 GLY A 65 108.592 19.427 -11.129 1.00 0.00 H new ATOM 1034 N ASP A 66 108.032 17.345 -8.752 1.00 0.00 N ATOM 1035 CA ASP A 66 108.209 17.124 -7.288 1.00 0.00 C ATOM 1036 C ASP A 66 109.524 16.379 -7.048 1.00 0.00 C ATOM 1037 O ASP A 66 110.241 16.649 -6.105 1.00 0.00 O ATOM 1038 CB ASP A 66 107.041 16.288 -6.750 1.00 0.00 C ATOM 1039 CG ASP A 66 106.171 17.142 -5.822 1.00 0.00 C ATOM 1040 OD1 ASP A 66 105.535 18.058 -6.317 1.00 0.00 O ATOM 1041 OD2 ASP A 66 106.156 16.864 -4.634 1.00 0.00 O ATOM 0 H ASP A 66 107.275 16.817 -9.185 1.00 0.00 H new ATOM 0 HA ASP A 66 108.232 18.084 -6.773 1.00 0.00 H new ATOM 0 HB2 ASP A 66 106.442 15.910 -7.578 1.00 0.00 H new ATOM 0 HB3 ASP A 66 107.422 15.421 -6.210 1.00 0.00 H new ATOM 1046 N LYS A 67 109.843 15.441 -7.896 1.00 0.00 N ATOM 1047 CA LYS A 67 111.108 14.676 -7.719 1.00 0.00 C ATOM 1048 C LYS A 67 111.084 13.970 -6.358 1.00 0.00 C ATOM 1049 O LYS A 67 112.038 14.023 -5.607 1.00 0.00 O ATOM 1050 CB LYS A 67 112.309 15.637 -7.789 1.00 0.00 C ATOM 1051 CG LYS A 67 111.960 16.856 -8.653 1.00 0.00 C ATOM 1052 CD LYS A 67 113.230 17.399 -9.314 1.00 0.00 C ATOM 1053 CE LYS A 67 112.937 18.764 -9.939 1.00 0.00 C ATOM 1054 NZ LYS A 67 111.895 18.614 -10.994 1.00 0.00 N ATOM 0 H LYS A 67 109.282 15.171 -8.704 1.00 0.00 H new ATOM 0 HA LYS A 67 111.201 13.934 -8.512 1.00 0.00 H new ATOM 0 HB2 LYS A 67 112.585 15.960 -6.785 1.00 0.00 H new ATOM 0 HB3 LYS A 67 113.174 15.121 -8.207 1.00 0.00 H new ATOM 0 HG2 LYS A 67 111.232 16.578 -9.415 1.00 0.00 H new ATOM 0 HG3 LYS A 67 111.499 17.629 -8.039 1.00 0.00 H new ATOM 0 HD2 LYS A 67 114.027 17.489 -8.576 1.00 0.00 H new ATOM 0 HD3 LYS A 67 113.580 16.705 -10.078 1.00 0.00 H new ATOM 0 HE2 LYS A 67 112.597 19.461 -9.173 1.00 0.00 H new ATOM 0 HE3 LYS A 67 113.847 19.182 -10.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 112.230 19.049 -11.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 111.707 17.604 -11.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 111.020 19.085 -10.687 1.00 0.00 H new ATOM 1068 N ASN A 68 109.994 13.320 -6.023 1.00 0.00 N ATOM 1069 CA ASN A 68 109.915 12.626 -4.697 1.00 0.00 C ATOM 1070 C ASN A 68 109.719 11.112 -4.877 1.00 0.00 C ATOM 1071 O ASN A 68 109.515 10.395 -3.909 1.00 0.00 O ATOM 1072 CB ASN A 68 108.734 13.192 -3.906 1.00 0.00 C ATOM 1073 CG ASN A 68 109.039 14.634 -3.494 1.00 0.00 C ATOM 1074 OD1 ASN A 68 110.068 14.906 -2.908 1.00 0.00 O ATOM 1075 ND2 ASN A 68 108.182 15.576 -3.777 1.00 0.00 N ATOM 0 H ASN A 68 109.161 13.240 -6.606 1.00 0.00 H new ATOM 0 HA ASN A 68 110.850 12.794 -4.162 1.00 0.00 H new ATOM 0 HB2 ASN A 68 107.828 13.160 -4.511 1.00 0.00 H new ATOM 0 HB3 ASN A 68 108.549 12.582 -3.022 1.00 0.00 H new ATOM 0 HD21 ASN A 68 108.376 16.540 -3.506 1.00 0.00 H new ATOM 0 HD22 ASN A 68 107.318 15.348 -4.269 1.00 0.00 H new ATOM 1082 N CYS A 69 109.784 10.614 -6.094 1.00 0.00 N ATOM 1083 CA CYS A 69 109.601 9.156 -6.322 1.00 0.00 C ATOM 1084 C CYS A 69 110.971 8.509 -6.473 1.00 0.00 C ATOM 1085 O CYS A 69 111.960 9.180 -6.671 1.00 0.00 O ATOM 1086 CB CYS A 69 108.777 8.935 -7.591 1.00 0.00 C ATOM 1087 SG CYS A 69 107.236 9.877 -7.482 1.00 0.00 S ATOM 0 H CYS A 69 109.957 11.163 -6.936 1.00 0.00 H new ATOM 0 HA CYS A 69 109.075 8.709 -5.479 1.00 0.00 H new ATOM 0 HB2 CYS A 69 109.346 9.249 -8.466 1.00 0.00 H new ATOM 0 HB3 CYS A 69 108.559 7.874 -7.716 1.00 0.00 H new ATOM 1092 N HIS A 70 111.048 7.217 -6.379 1.00 0.00 N ATOM 1093 CA HIS A 70 112.369 6.545 -6.509 1.00 0.00 C ATOM 1094 C HIS A 70 112.156 5.153 -7.070 1.00 0.00 C ATOM 1095 O HIS A 70 111.485 4.335 -6.477 1.00 0.00 O ATOM 1096 CB HIS A 70 113.013 6.413 -5.133 1.00 0.00 C ATOM 1097 CG HIS A 70 113.713 7.685 -4.750 1.00 0.00 C ATOM 1098 ND1 HIS A 70 115.093 7.761 -4.622 1.00 0.00 N ATOM 1099 CD2 HIS A 70 113.239 8.930 -4.443 1.00 0.00 C ATOM 1100 CE1 HIS A 70 115.396 9.019 -4.250 1.00 0.00 C ATOM 1101 NE2 HIS A 70 114.301 9.769 -4.128 1.00 0.00 N ATOM 0 H HIS A 70 110.256 6.595 -6.218 1.00 0.00 H new ATOM 0 HA HIS A 70 113.012 7.131 -7.166 1.00 0.00 H new ATOM 0 HB2 HIS A 70 112.251 6.174 -4.391 1.00 0.00 H new ATOM 0 HB3 HIS A 70 113.725 5.587 -5.137 1.00 0.00 H new ATOM 0 HD2 HIS A 70 112.198 9.218 -4.445 1.00 0.00 H new ATOM 0 HE1 HIS A 70 116.400 9.375 -4.073 1.00 0.00 H new ATOM 0 HE2 HIS A 70 114.253 10.752 -3.860 1.00 0.00 H new ATOM 1110 N GLN A 71 112.723 4.875 -8.199 1.00 0.00 N ATOM 1111 CA GLN A 71 112.546 3.525 -8.799 1.00 0.00 C ATOM 1112 C GLN A 71 113.703 2.612 -8.392 1.00 0.00 C ATOM 1113 O GLN A 71 114.859 2.981 -8.448 1.00 0.00 O ATOM 1114 CB GLN A 71 112.439 3.662 -10.324 1.00 0.00 C ATOM 1115 CG GLN A 71 113.250 2.577 -11.046 1.00 0.00 C ATOM 1116 CD GLN A 71 114.737 2.939 -11.019 1.00 0.00 C ATOM 1117 OE1 GLN A 71 115.105 4.010 -10.578 1.00 0.00 O ATOM 1118 NE2 GLN A 71 115.612 2.086 -11.476 1.00 0.00 N ATOM 0 H GLN A 71 113.302 5.520 -8.737 1.00 0.00 H new ATOM 0 HA GLN A 71 111.627 3.070 -8.429 1.00 0.00 H new ATOM 0 HB2 GLN A 71 111.393 3.595 -10.624 1.00 0.00 H new ATOM 0 HB3 GLN A 71 112.795 4.646 -10.628 1.00 0.00 H new ATOM 0 HG2 GLN A 71 113.092 1.612 -10.565 1.00 0.00 H new ATOM 0 HG3 GLN A 71 112.908 2.480 -12.076 1.00 0.00 H new ATOM 0 HE21 GLN A 71 115.303 1.187 -11.846 1.00 0.00 H new ATOM 0 HE22 GLN A 71 116.605 2.318 -11.463 1.00 0.00 H new ATOM 1127 N SER A 72 113.383 1.417 -7.977 1.00 0.00 N ATOM 1128 CA SER A 72 114.437 0.456 -7.557 1.00 0.00 C ATOM 1129 C SER A 72 115.470 0.319 -8.679 1.00 0.00 C ATOM 1130 O SER A 72 115.137 0.330 -9.847 1.00 0.00 O ATOM 1131 CB SER A 72 113.794 -0.906 -7.273 1.00 0.00 C ATOM 1132 OG SER A 72 112.520 -0.960 -7.902 1.00 0.00 O ATOM 0 H SER A 72 112.428 1.064 -7.911 1.00 0.00 H new ATOM 0 HA SER A 72 114.930 0.817 -6.655 1.00 0.00 H new ATOM 0 HB2 SER A 72 114.432 -1.708 -7.646 1.00 0.00 H new ATOM 0 HB3 SER A 72 113.689 -1.056 -6.198 1.00 0.00 H new ATOM 0 HG SER A 72 111.834 -0.638 -7.280 1.00 0.00 H new ATOM 1138 N HIS A 73 116.719 0.190 -8.332 1.00 0.00 N ATOM 1139 CA HIS A 73 117.772 0.052 -9.376 1.00 0.00 C ATOM 1140 C HIS A 73 117.719 -1.355 -9.967 1.00 0.00 C ATOM 1141 O HIS A 73 118.696 -1.861 -10.483 1.00 0.00 O ATOM 1142 CB HIS A 73 119.140 0.280 -8.738 1.00 0.00 C ATOM 1143 CG HIS A 73 120.152 0.597 -9.805 1.00 0.00 C ATOM 1144 ND1 HIS A 73 119.999 0.173 -11.119 1.00 0.00 N ATOM 1145 CD2 HIS A 73 121.335 1.294 -9.771 1.00 0.00 C ATOM 1146 CE1 HIS A 73 121.064 0.616 -11.814 1.00 0.00 C ATOM 1147 NE2 HIS A 73 121.905 1.302 -11.039 1.00 0.00 N ATOM 0 H HIS A 73 117.057 0.174 -7.370 1.00 0.00 H new ATOM 0 HA HIS A 73 117.606 0.785 -10.166 1.00 0.00 H new ATOM 0 HB2 HIS A 73 119.085 1.099 -8.021 1.00 0.00 H new ATOM 0 HB3 HIS A 73 119.446 -0.608 -8.185 1.00 0.00 H new ATOM 0 HD1 HIS A 73 119.222 -0.374 -11.490 1.00 0.00 H new ATOM 0 HD2 HIS A 73 121.757 1.763 -8.895 1.00 0.00 H new ATOM 0 HE1 HIS A 73 121.218 0.438 -12.868 1.00 0.00 H new ATOM 1156 N GLY A 74 116.587 -1.993 -9.892 1.00 0.00 N ATOM 1157 CA GLY A 74 116.472 -3.371 -10.445 1.00 0.00 C ATOM 1158 C GLY A 74 115.147 -3.992 -10.002 1.00 0.00 C ATOM 1159 O GLY A 74 114.353 -3.365 -9.330 1.00 0.00 O ATOM 0 H GLY A 74 115.735 -1.621 -9.472 1.00 0.00 H new ATOM 0 HA2 GLY A 74 116.526 -3.343 -11.533 1.00 0.00 H new ATOM 0 HA3 GLY A 74 117.305 -3.983 -10.100 1.00 0.00 H new ATOM 1163 N PRO A 75 114.910 -5.218 -10.383 1.00 0.00 N ATOM 1164 CA PRO A 75 113.658 -5.943 -10.029 1.00 0.00 C ATOM 1165 C PRO A 75 113.630 -6.382 -8.560 1.00 0.00 C ATOM 1166 O PRO A 75 114.518 -7.067 -8.092 1.00 0.00 O ATOM 1167 CB PRO A 75 113.672 -7.162 -10.957 1.00 0.00 C ATOM 1168 CG PRO A 75 115.116 -7.410 -11.253 1.00 0.00 C ATOM 1169 CD PRO A 75 115.815 -6.049 -11.195 1.00 0.00 C ATOM 0 HA PRO A 75 112.777 -5.313 -10.150 1.00 0.00 H new ATOM 0 HB2 PRO A 75 113.214 -8.027 -10.478 1.00 0.00 H new ATOM 0 HB3 PRO A 75 113.110 -6.968 -11.871 1.00 0.00 H new ATOM 0 HG2 PRO A 75 115.548 -8.098 -10.526 1.00 0.00 H new ATOM 0 HG3 PRO A 75 115.237 -7.866 -12.235 1.00 0.00 H new ATOM 0 HD2 PRO A 75 116.802 -6.126 -10.739 1.00 0.00 H new ATOM 0 HD3 PRO A 75 115.956 -5.630 -12.191 1.00 0.00 H new ATOM 1177 N VAL A 76 112.610 -5.999 -7.834 1.00 0.00 N ATOM 1178 CA VAL A 76 112.512 -6.398 -6.400 1.00 0.00 C ATOM 1179 C VAL A 76 111.378 -7.409 -6.267 1.00 0.00 C ATOM 1180 O VAL A 76 110.331 -7.262 -6.869 1.00 0.00 O ATOM 1181 CB VAL A 76 112.206 -5.160 -5.538 1.00 0.00 C ATOM 1182 CG1 VAL A 76 111.409 -4.152 -6.360 1.00 0.00 C ATOM 1183 CG2 VAL A 76 111.403 -5.567 -4.293 1.00 0.00 C ATOM 0 H VAL A 76 111.839 -5.425 -8.176 1.00 0.00 H new ATOM 0 HA VAL A 76 113.452 -6.836 -6.063 1.00 0.00 H new ATOM 0 HB VAL A 76 113.144 -4.707 -5.218 1.00 0.00 H new ATOM 0 HG11 VAL A 76 111.192 -3.275 -5.750 1.00 0.00 H new ATOM 0 HG12 VAL A 76 111.991 -3.853 -7.232 1.00 0.00 H new ATOM 0 HG13 VAL A 76 110.474 -4.607 -6.687 1.00 0.00 H new ATOM 0 HG21 VAL A 76 111.192 -4.683 -3.691 1.00 0.00 H new ATOM 0 HG22 VAL A 76 110.465 -6.029 -4.600 1.00 0.00 H new ATOM 0 HG23 VAL A 76 111.981 -6.278 -3.703 1.00 0.00 H new ATOM 1193 N SER A 77 111.565 -8.424 -5.477 1.00 0.00 N ATOM 1194 CA SER A 77 110.480 -9.420 -5.306 1.00 0.00 C ATOM 1195 C SER A 77 109.296 -8.713 -4.658 1.00 0.00 C ATOM 1196 O SER A 77 109.156 -8.699 -3.463 1.00 0.00 O ATOM 1197 CB SER A 77 110.960 -10.558 -4.404 1.00 0.00 C ATOM 1198 OG SER A 77 111.997 -11.274 -5.062 1.00 0.00 O ATOM 0 H SER A 77 112.417 -8.606 -4.946 1.00 0.00 H new ATOM 0 HA SER A 77 110.192 -9.840 -6.270 1.00 0.00 H new ATOM 0 HB2 SER A 77 111.323 -10.158 -3.457 1.00 0.00 H new ATOM 0 HB3 SER A 77 110.132 -11.227 -4.171 1.00 0.00 H new ATOM 0 HG SER A 77 112.308 -12.003 -4.486 1.00 0.00 H new ATOM 1204 N LEU A 78 108.451 -8.106 -5.435 1.00 0.00 N ATOM 1205 CA LEU A 78 107.291 -7.384 -4.849 1.00 0.00 C ATOM 1206 C LEU A 78 106.072 -8.308 -4.804 1.00 0.00 C ATOM 1207 O LEU A 78 106.129 -9.450 -5.213 1.00 0.00 O ATOM 1208 CB LEU A 78 106.981 -6.167 -5.708 1.00 0.00 C ATOM 1209 CG LEU A 78 106.591 -6.607 -7.120 1.00 0.00 C ATOM 1210 CD1 LEU A 78 105.115 -7.026 -7.165 1.00 0.00 C ATOM 1211 CD2 LEU A 78 106.813 -5.437 -8.072 1.00 0.00 C ATOM 0 H LEU A 78 108.512 -8.077 -6.453 1.00 0.00 H new ATOM 0 HA LEU A 78 107.531 -7.068 -3.834 1.00 0.00 H new ATOM 0 HB2 LEU A 78 106.170 -5.593 -5.260 1.00 0.00 H new ATOM 0 HB3 LEU A 78 107.850 -5.511 -5.750 1.00 0.00 H new ATOM 0 HG LEU A 78 107.203 -7.460 -7.414 1.00 0.00 H new ATOM 0 HD11 LEU A 78 104.855 -7.336 -8.177 1.00 0.00 H new ATOM 0 HD12 LEU A 78 104.951 -7.856 -6.478 1.00 0.00 H new ATOM 0 HD13 LEU A 78 104.489 -6.184 -6.872 1.00 0.00 H new ATOM 0 HD21 LEU A 78 106.539 -5.735 -9.084 1.00 0.00 H new ATOM 0 HD22 LEU A 78 106.196 -4.594 -7.762 1.00 0.00 H new ATOM 0 HD23 LEU A 78 107.863 -5.145 -8.051 1.00 0.00 H new ATOM 1223 N THR A 79 104.971 -7.818 -4.301 1.00 0.00 N ATOM 1224 CA THR A 79 103.738 -8.653 -4.213 1.00 0.00 C ATOM 1225 C THR A 79 102.517 -7.810 -4.585 1.00 0.00 C ATOM 1226 O THR A 79 102.059 -6.994 -3.813 1.00 0.00 O ATOM 1227 CB THR A 79 103.583 -9.167 -2.778 1.00 0.00 C ATOM 1228 OG1 THR A 79 104.413 -10.305 -2.593 1.00 0.00 O ATOM 1229 CG2 THR A 79 102.128 -9.549 -2.509 1.00 0.00 C ATOM 0 H THR A 79 104.872 -6.867 -3.944 1.00 0.00 H new ATOM 0 HA THR A 79 103.817 -9.494 -4.901 1.00 0.00 H new ATOM 0 HB THR A 79 103.877 -8.379 -2.084 1.00 0.00 H new ATOM 0 HG1 THR A 79 105.326 -10.094 -2.880 1.00 0.00 H new ATOM 0 HG21 THR A 79 102.030 -9.913 -1.486 1.00 0.00 H new ATOM 0 HG22 THR A 79 101.491 -8.675 -2.646 1.00 0.00 H new ATOM 0 HG23 THR A 79 101.823 -10.332 -3.203 1.00 0.00 H new ATOM 1237 N MET A 80 101.978 -8.008 -5.755 1.00 0.00 N ATOM 1238 CA MET A 80 100.778 -7.216 -6.156 1.00 0.00 C ATOM 1239 C MET A 80 99.509 -7.922 -5.677 1.00 0.00 C ATOM 1240 O MET A 80 99.128 -8.951 -6.199 1.00 0.00 O ATOM 1241 CB MET A 80 100.720 -7.081 -7.680 1.00 0.00 C ATOM 1242 CG MET A 80 102.095 -6.693 -8.222 1.00 0.00 C ATOM 1243 SD MET A 80 101.897 -5.789 -9.778 1.00 0.00 S ATOM 1244 CE MET A 80 101.809 -7.229 -10.871 1.00 0.00 C ATOM 0 H MET A 80 102.312 -8.678 -6.448 1.00 0.00 H new ATOM 0 HA MET A 80 100.848 -6.227 -5.704 1.00 0.00 H new ATOM 0 HB2 MET A 80 100.397 -8.022 -8.125 1.00 0.00 H new ATOM 0 HB3 MET A 80 99.984 -6.327 -7.959 1.00 0.00 H new ATOM 0 HG2 MET A 80 102.623 -6.076 -7.495 1.00 0.00 H new ATOM 0 HG3 MET A 80 102.700 -7.586 -8.382 1.00 0.00 H new ATOM 0 HE1 MET A 80 101.146 -7.011 -11.708 1.00 0.00 H new ATOM 0 HE2 MET A 80 102.805 -7.461 -11.248 1.00 0.00 H new ATOM 0 HE3 MET A 80 101.423 -8.084 -10.316 1.00 0.00 H new ATOM 1254 N CYS A 81 98.840 -7.373 -4.697 1.00 0.00 N ATOM 1255 CA CYS A 81 97.586 -8.011 -4.211 1.00 0.00 C ATOM 1256 C CYS A 81 96.398 -7.341 -4.892 1.00 0.00 C ATOM 1257 O CYS A 81 96.441 -6.169 -5.207 1.00 0.00 O ATOM 1258 CB CYS A 81 97.453 -7.829 -2.702 1.00 0.00 C ATOM 1259 SG CYS A 81 99.063 -8.049 -1.912 1.00 0.00 S ATOM 0 H CYS A 81 99.108 -6.515 -4.216 1.00 0.00 H new ATOM 0 HA CYS A 81 97.612 -9.076 -4.444 1.00 0.00 H new ATOM 0 HB2 CYS A 81 97.062 -6.836 -2.480 1.00 0.00 H new ATOM 0 HB3 CYS A 81 96.740 -8.550 -2.301 1.00 0.00 H new ATOM 1264 N LYS A 82 95.334 -8.063 -5.120 1.00 0.00 N ATOM 1265 CA LYS A 82 94.155 -7.455 -5.772 1.00 0.00 C ATOM 1266 C LYS A 82 92.901 -7.861 -4.998 1.00 0.00 C ATOM 1267 O LYS A 82 92.872 -8.886 -4.346 1.00 0.00 O ATOM 1268 CB LYS A 82 94.069 -7.943 -7.225 1.00 0.00 C ATOM 1269 CG LYS A 82 93.084 -9.108 -7.319 1.00 0.00 C ATOM 1270 CD LYS A 82 93.228 -9.806 -8.679 1.00 0.00 C ATOM 1271 CE LYS A 82 94.300 -10.896 -8.592 1.00 0.00 C ATOM 1272 NZ LYS A 82 93.736 -12.094 -7.907 1.00 0.00 N ATOM 0 H LYS A 82 95.237 -9.050 -4.880 1.00 0.00 H new ATOM 0 HA LYS A 82 94.241 -6.368 -5.773 1.00 0.00 H new ATOM 0 HB2 LYS A 82 93.747 -7.129 -7.874 1.00 0.00 H new ATOM 0 HB3 LYS A 82 95.053 -8.257 -7.572 1.00 0.00 H new ATOM 0 HG2 LYS A 82 93.270 -9.819 -6.514 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.064 -8.744 -7.193 1.00 0.00 H new ATOM 0 HD2 LYS A 82 92.275 -10.243 -8.976 1.00 0.00 H new ATOM 0 HD3 LYS A 82 93.497 -9.079 -9.445 1.00 0.00 H new ATOM 0 HE2 LYS A 82 94.644 -11.163 -9.591 1.00 0.00 H new ATOM 0 HE3 LYS A 82 95.167 -10.526 -8.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 94.472 -12.537 -7.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 92.939 -11.806 -7.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 93.404 -12.776 -8.618 1.00 0.00 H new ATOM 1286 N LEU A 83 91.863 -7.078 -5.063 1.00 0.00 N ATOM 1287 CA LEU A 83 90.630 -7.454 -4.325 1.00 0.00 C ATOM 1288 C LEU A 83 89.927 -8.567 -5.081 1.00 0.00 C ATOM 1289 O LEU A 83 89.369 -8.365 -6.142 1.00 0.00 O ATOM 1290 CB LEU A 83 89.685 -6.255 -4.184 1.00 0.00 C ATOM 1291 CG LEU A 83 88.345 -6.718 -3.591 1.00 0.00 C ATOM 1292 CD1 LEU A 83 88.595 -7.620 -2.384 1.00 0.00 C ATOM 1293 CD2 LEU A 83 87.534 -5.506 -3.129 1.00 0.00 C ATOM 0 H LEU A 83 91.815 -6.205 -5.588 1.00 0.00 H new ATOM 0 HA LEU A 83 90.906 -7.788 -3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 83 90.136 -5.498 -3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 83 89.522 -5.792 -5.157 1.00 0.00 H new ATOM 0 HG LEU A 83 87.796 -7.264 -4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 83 87.641 -7.945 -1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 83 89.171 -8.492 -2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 83 89.152 -7.068 -1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 83 86.585 -5.841 -2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 83 88.094 -4.962 -2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 83 87.344 -4.850 -3.979 1.00 0.00 H new ATOM 1305 N THR A 84 89.948 -9.741 -4.537 1.00 0.00 N ATOM 1306 CA THR A 84 89.280 -10.879 -5.212 1.00 0.00 C ATOM 1307 C THR A 84 87.773 -10.637 -5.201 1.00 0.00 C ATOM 1308 O THR A 84 87.124 -10.722 -6.223 1.00 0.00 O ATOM 1309 CB THR A 84 89.617 -12.181 -4.480 1.00 0.00 C ATOM 1310 OG1 THR A 84 88.906 -12.228 -3.252 1.00 0.00 O ATOM 1311 CG2 THR A 84 91.127 -12.244 -4.204 1.00 0.00 C ATOM 0 H THR A 84 90.400 -9.965 -3.651 1.00 0.00 H new ATOM 0 HA THR A 84 89.627 -10.962 -6.242 1.00 0.00 H new ATOM 0 HB THR A 84 89.330 -13.030 -5.100 1.00 0.00 H new ATOM 0 HG1 THR A 84 89.438 -11.800 -2.549 1.00 0.00 H new ATOM 0 HG21 THR A 84 91.363 -13.172 -3.683 1.00 0.00 H new ATOM 0 HG22 THR A 84 91.671 -12.209 -5.148 1.00 0.00 H new ATOM 0 HG23 THR A 84 91.419 -11.396 -3.585 1.00 0.00 H new ATOM 1319 N SER A 85 87.211 -10.313 -4.060 1.00 0.00 N ATOM 1320 CA SER A 85 85.733 -10.043 -4.009 1.00 0.00 C ATOM 1321 C SER A 85 85.209 -10.214 -2.581 1.00 0.00 C ATOM 1322 O SER A 85 85.846 -10.820 -1.745 1.00 0.00 O ATOM 1323 CB SER A 85 84.989 -11.017 -4.933 1.00 0.00 C ATOM 1324 OG SER A 85 85.729 -12.227 -5.034 1.00 0.00 O ATOM 0 H SER A 85 87.702 -10.224 -3.171 1.00 0.00 H new ATOM 0 HA SER A 85 85.560 -9.018 -4.338 1.00 0.00 H new ATOM 0 HB2 SER A 85 83.992 -11.219 -4.541 1.00 0.00 H new ATOM 0 HB3 SER A 85 84.860 -10.573 -5.920 1.00 0.00 H new ATOM 0 HG SER A 85 86.265 -12.215 -5.854 1.00 0.00 H new ATOM 1330 N GLY A 86 84.039 -9.693 -2.302 1.00 0.00 N ATOM 1331 CA GLY A 86 83.463 -9.839 -0.932 1.00 0.00 C ATOM 1332 C GLY A 86 82.780 -8.536 -0.496 1.00 0.00 C ATOM 1333 O GLY A 86 81.909 -8.545 0.345 1.00 0.00 O ATOM 0 H GLY A 86 83.460 -9.175 -2.963 1.00 0.00 H new ATOM 0 HA2 GLY A 86 82.742 -10.657 -0.919 1.00 0.00 H new ATOM 0 HA3 GLY A 86 84.251 -10.098 -0.225 1.00 0.00 H new ATOM 1337 N LYS A 87 83.189 -7.429 -1.067 1.00 0.00 N ATOM 1338 CA LYS A 87 82.614 -6.079 -0.725 1.00 0.00 C ATOM 1339 C LYS A 87 83.636 -5.316 0.107 1.00 0.00 C ATOM 1340 O LYS A 87 84.799 -5.642 0.110 1.00 0.00 O ATOM 1341 CB LYS A 87 81.305 -6.184 0.068 1.00 0.00 C ATOM 1342 CG LYS A 87 80.230 -6.847 -0.792 1.00 0.00 C ATOM 1343 CD LYS A 87 79.179 -7.505 0.107 1.00 0.00 C ATOM 1344 CE LYS A 87 77.927 -7.817 -0.714 1.00 0.00 C ATOM 1345 NZ LYS A 87 76.869 -8.365 0.181 1.00 0.00 N ATOM 0 H LYS A 87 83.920 -7.400 -1.778 1.00 0.00 H new ATOM 0 HA LYS A 87 82.391 -5.562 -1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 87 81.465 -6.764 0.977 1.00 0.00 H new ATOM 0 HB3 LYS A 87 80.976 -5.192 0.377 1.00 0.00 H new ATOM 0 HG2 LYS A 87 79.758 -6.105 -1.436 1.00 0.00 H new ATOM 0 HG3 LYS A 87 80.683 -7.594 -1.444 1.00 0.00 H new ATOM 0 HD2 LYS A 87 79.579 -8.421 0.542 1.00 0.00 H new ATOM 0 HD3 LYS A 87 78.928 -6.843 0.935 1.00 0.00 H new ATOM 0 HE2 LYS A 87 77.569 -6.914 -1.208 1.00 0.00 H new ATOM 0 HE3 LYS A 87 78.163 -8.536 -1.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 76.018 -8.577 -0.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 77.213 -9.236 0.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 76.637 -7.664 0.914 1.00 0.00 H new ATOM 1359 N TYR A 88 83.226 -4.306 0.823 1.00 0.00 N ATOM 1360 CA TYR A 88 84.215 -3.554 1.647 1.00 0.00 C ATOM 1361 C TYR A 88 84.335 -4.207 3.032 1.00 0.00 C ATOM 1362 O TYR A 88 85.423 -4.424 3.523 1.00 0.00 O ATOM 1363 CB TYR A 88 83.803 -2.076 1.773 1.00 0.00 C ATOM 1364 CG TYR A 88 84.146 -1.574 3.156 1.00 0.00 C ATOM 1365 CD1 TYR A 88 85.424 -1.797 3.684 1.00 0.00 C ATOM 1366 CD2 TYR A 88 83.179 -0.918 3.920 1.00 0.00 C ATOM 1367 CE1 TYR A 88 85.732 -1.363 4.977 1.00 0.00 C ATOM 1368 CE2 TYR A 88 83.483 -0.490 5.216 1.00 0.00 C ATOM 1369 CZ TYR A 88 84.759 -0.713 5.746 1.00 0.00 C ATOM 1370 OH TYR A 88 85.057 -0.295 7.026 1.00 0.00 O ATOM 0 H TYR A 88 82.264 -3.972 0.874 1.00 0.00 H new ATOM 0 HA TYR A 88 85.187 -3.589 1.156 1.00 0.00 H new ATOM 0 HB2 TYR A 88 84.317 -1.479 1.020 1.00 0.00 H new ATOM 0 HB3 TYR A 88 82.734 -1.969 1.590 1.00 0.00 H new ATOM 0 HD1 TYR A 88 86.172 -2.304 3.092 1.00 0.00 H new ATOM 0 HD2 TYR A 88 82.196 -0.741 3.510 1.00 0.00 H new ATOM 0 HE1 TYR A 88 86.719 -1.529 5.382 1.00 0.00 H new ATOM 0 HE2 TYR A 88 82.733 0.013 5.808 1.00 0.00 H new ATOM 0 HH TYR A 88 84.271 0.139 7.420 1.00 0.00 H new ATOM 1380 N PRO A 89 83.239 -4.525 3.662 1.00 0.00 N ATOM 1381 CA PRO A 89 83.260 -5.169 4.997 1.00 0.00 C ATOM 1382 C PRO A 89 83.494 -6.678 4.884 1.00 0.00 C ATOM 1383 O PRO A 89 83.467 -7.398 5.862 1.00 0.00 O ATOM 1384 CB PRO A 89 81.872 -4.862 5.553 1.00 0.00 C ATOM 1385 CG PRO A 89 80.986 -4.777 4.351 1.00 0.00 C ATOM 1386 CD PRO A 89 81.865 -4.311 3.186 1.00 0.00 C ATOM 0 HA PRO A 89 84.065 -4.803 5.634 1.00 0.00 H new ATOM 0 HB2 PRO A 89 81.538 -5.644 6.235 1.00 0.00 H new ATOM 0 HB3 PRO A 89 81.869 -3.927 6.113 1.00 0.00 H new ATOM 0 HG2 PRO A 89 80.536 -5.746 4.133 1.00 0.00 H new ATOM 0 HG3 PRO A 89 80.168 -4.077 4.522 1.00 0.00 H new ATOM 0 HD2 PRO A 89 81.663 -4.884 2.281 1.00 0.00 H new ATOM 0 HD3 PRO A 89 81.685 -3.263 2.946 1.00 0.00 H new ATOM 1394 N ASN A 90 83.719 -7.160 3.688 1.00 0.00 N ATOM 1395 CA ASN A 90 83.950 -8.621 3.500 1.00 0.00 C ATOM 1396 C ASN A 90 84.866 -8.844 2.291 1.00 0.00 C ATOM 1397 O ASN A 90 84.771 -9.842 1.612 1.00 0.00 O ATOM 1398 CB ASN A 90 82.597 -9.301 3.247 1.00 0.00 C ATOM 1399 CG ASN A 90 82.372 -10.418 4.270 1.00 0.00 C ATOM 1400 OD1 ASN A 90 83.042 -11.431 4.239 1.00 0.00 O ATOM 1401 ND2 ASN A 90 81.450 -10.274 5.183 1.00 0.00 N ATOM 0 H ASN A 90 83.752 -6.603 2.834 1.00 0.00 H new ATOM 0 HA ASN A 90 84.421 -9.041 4.388 1.00 0.00 H new ATOM 0 HB2 ASN A 90 81.794 -8.567 3.315 1.00 0.00 H new ATOM 0 HB3 ASN A 90 82.570 -9.711 2.237 1.00 0.00 H new ATOM 0 HD21 ASN A 90 81.293 -11.012 5.870 1.00 0.00 H new ATOM 0 HD22 ASN A 90 80.887 -9.424 5.210 1.00 0.00 H new ATOM 1408 N CYS A 91 85.741 -7.919 2.009 1.00 0.00 N ATOM 1409 CA CYS A 91 86.638 -8.069 0.826 1.00 0.00 C ATOM 1410 C CYS A 91 87.829 -8.971 1.148 1.00 0.00 C ATOM 1411 O CYS A 91 88.561 -8.748 2.092 1.00 0.00 O ATOM 1412 CB CYS A 91 87.157 -6.686 0.421 1.00 0.00 C ATOM 1413 SG CYS A 91 86.882 -5.528 1.779 1.00 0.00 S ATOM 0 H CYS A 91 85.875 -7.063 2.547 1.00 0.00 H new ATOM 0 HA CYS A 91 86.070 -8.523 0.014 1.00 0.00 H new ATOM 0 HB2 CYS A 91 88.219 -6.739 0.182 1.00 0.00 H new ATOM 0 HB3 CYS A 91 86.645 -6.341 -0.477 1.00 0.00 H new ATOM 1418 N ARG A 92 88.041 -9.967 0.331 1.00 0.00 N ATOM 1419 CA ARG A 92 89.200 -10.881 0.523 1.00 0.00 C ATOM 1420 C ARG A 92 90.150 -10.657 -0.654 1.00 0.00 C ATOM 1421 O ARG A 92 89.722 -10.581 -1.799 1.00 0.00 O ATOM 1422 CB ARG A 92 88.726 -12.339 0.550 1.00 0.00 C ATOM 1423 CG ARG A 92 87.476 -12.492 -0.315 1.00 0.00 C ATOM 1424 CD ARG A 92 87.093 -13.970 -0.404 1.00 0.00 C ATOM 1425 NE ARG A 92 86.626 -14.443 0.930 1.00 0.00 N ATOM 1426 CZ ARG A 92 86.194 -15.666 1.074 1.00 0.00 C ATOM 1427 NH1 ARG A 92 86.171 -16.475 0.049 1.00 0.00 N ATOM 1428 NH2 ARG A 92 85.786 -16.081 2.242 1.00 0.00 N ATOM 0 H ARG A 92 87.452 -10.188 -0.472 1.00 0.00 H new ATOM 0 HA ARG A 92 89.701 -10.677 1.469 1.00 0.00 H new ATOM 0 HB2 ARG A 92 89.516 -12.995 0.183 1.00 0.00 H new ATOM 0 HB3 ARG A 92 88.510 -12.642 1.575 1.00 0.00 H new ATOM 0 HG2 ARG A 92 86.654 -11.918 0.111 1.00 0.00 H new ATOM 0 HG3 ARG A 92 87.660 -12.093 -1.312 1.00 0.00 H new ATOM 0 HD2 ARG A 92 86.307 -14.109 -1.147 1.00 0.00 H new ATOM 0 HD3 ARG A 92 87.949 -14.560 -0.732 1.00 0.00 H new ATOM 0 HE ARG A 92 86.644 -13.811 1.730 1.00 0.00 H new ATOM 0 HH11 ARG A 92 86.491 -16.151 -0.864 1.00 0.00 H new ATOM 0 HH12 ARG A 92 85.833 -17.431 0.161 1.00 0.00 H new ATOM 0 HH21 ARG A 92 85.805 -15.449 3.043 1.00 0.00 H new ATOM 0 HH22 ARG A 92 85.448 -17.037 2.354 1.00 0.00 H new ATOM 1442 N TYR A 93 91.425 -10.513 -0.383 1.00 0.00 N ATOM 1443 CA TYR A 93 92.402 -10.254 -1.475 1.00 0.00 C ATOM 1444 C TYR A 93 93.301 -11.465 -1.692 1.00 0.00 C ATOM 1445 O TYR A 93 93.426 -12.333 -0.851 1.00 0.00 O ATOM 1446 CB TYR A 93 93.286 -9.068 -1.089 1.00 0.00 C ATOM 1447 CG TYR A 93 92.434 -7.844 -0.867 1.00 0.00 C ATOM 1448 CD1 TYR A 93 91.577 -7.774 0.239 1.00 0.00 C ATOM 1449 CD2 TYR A 93 92.508 -6.773 -1.763 1.00 0.00 C ATOM 1450 CE1 TYR A 93 90.798 -6.633 0.448 1.00 0.00 C ATOM 1451 CE2 TYR A 93 91.726 -5.636 -1.556 1.00 0.00 C ATOM 1452 CZ TYR A 93 90.874 -5.565 -0.452 1.00 0.00 C ATOM 1453 OH TYR A 93 90.118 -4.436 -0.249 1.00 0.00 O ATOM 0 H TYR A 93 91.828 -10.565 0.553 1.00 0.00 H new ATOM 0 HA TYR A 93 91.847 -10.045 -2.390 1.00 0.00 H new ATOM 0 HB2 TYR A 93 93.847 -9.301 -0.184 1.00 0.00 H new ATOM 0 HB3 TYR A 93 94.016 -8.876 -1.875 1.00 0.00 H new ATOM 0 HD1 TYR A 93 91.518 -8.602 0.930 1.00 0.00 H new ATOM 0 HD2 TYR A 93 93.170 -6.826 -2.615 1.00 0.00 H new ATOM 0 HE1 TYR A 93 90.139 -6.576 1.302 1.00 0.00 H new ATOM 0 HE2 TYR A 93 91.780 -4.810 -2.250 1.00 0.00 H new ATOM 0 HH TYR A 93 90.145 -4.190 0.699 1.00 0.00 H new ATOM 1463 N LYS A 94 93.951 -11.496 -2.819 1.00 0.00 N ATOM 1464 CA LYS A 94 94.888 -12.601 -3.140 1.00 0.00 C ATOM 1465 C LYS A 94 96.267 -11.976 -3.331 1.00 0.00 C ATOM 1466 O LYS A 94 96.399 -10.928 -3.936 1.00 0.00 O ATOM 1467 CB LYS A 94 94.440 -13.297 -4.434 1.00 0.00 C ATOM 1468 CG LYS A 94 93.670 -14.579 -4.096 1.00 0.00 C ATOM 1469 CD LYS A 94 94.654 -15.695 -3.732 1.00 0.00 C ATOM 1470 CE LYS A 94 93.933 -17.044 -3.770 1.00 0.00 C ATOM 1471 NZ LYS A 94 93.547 -17.361 -5.174 1.00 0.00 N ATOM 0 H LYS A 94 93.869 -10.785 -3.546 1.00 0.00 H new ATOM 0 HA LYS A 94 94.909 -13.345 -2.343 1.00 0.00 H new ATOM 0 HB2 LYS A 94 93.810 -12.627 -5.018 1.00 0.00 H new ATOM 0 HB3 LYS A 94 95.308 -13.535 -5.049 1.00 0.00 H new ATOM 0 HG2 LYS A 94 92.989 -14.397 -3.265 1.00 0.00 H new ATOM 0 HG3 LYS A 94 93.060 -14.883 -4.947 1.00 0.00 H new ATOM 0 HD2 LYS A 94 95.491 -15.698 -4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 94 95.068 -15.520 -2.739 1.00 0.00 H new ATOM 0 HE2 LYS A 94 94.581 -17.826 -3.374 1.00 0.00 H new ATOM 0 HE3 LYS A 94 93.047 -17.013 -3.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 93.474 -18.392 -5.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 92.629 -16.922 -5.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 94.269 -16.990 -5.825 1.00 0.00 H new ATOM 1485 N GLU A 95 97.290 -12.588 -2.805 1.00 0.00 N ATOM 1486 CA GLU A 95 98.651 -12.003 -2.941 1.00 0.00 C ATOM 1487 C GLU A 95 99.339 -12.570 -4.185 1.00 0.00 C ATOM 1488 O GLU A 95 99.411 -13.767 -4.378 1.00 0.00 O ATOM 1489 CB GLU A 95 99.467 -12.336 -1.679 1.00 0.00 C ATOM 1490 CG GLU A 95 100.243 -13.642 -1.873 1.00 0.00 C ATOM 1491 CD GLU A 95 100.793 -14.114 -0.525 1.00 0.00 C ATOM 1492 OE1 GLU A 95 99.994 -14.415 0.346 1.00 0.00 O ATOM 1493 OE2 GLU A 95 102.004 -14.165 -0.387 1.00 0.00 O ATOM 0 H GLU A 95 97.243 -13.466 -2.288 1.00 0.00 H new ATOM 0 HA GLU A 95 98.579 -10.921 -3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 95 100.160 -11.523 -1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 95 98.801 -12.426 -0.821 1.00 0.00 H new ATOM 0 HG2 GLU A 95 99.591 -14.405 -2.299 1.00 0.00 H new ATOM 0 HG3 GLU A 95 101.060 -13.491 -2.578 1.00 0.00 H new ATOM 1500 N LYS A 96 99.855 -11.715 -5.028 1.00 0.00 N ATOM 1501 CA LYS A 96 100.551 -12.200 -6.253 1.00 0.00 C ATOM 1502 C LYS A 96 102.029 -11.821 -6.158 1.00 0.00 C ATOM 1503 O LYS A 96 102.392 -10.670 -6.277 1.00 0.00 O ATOM 1504 CB LYS A 96 99.931 -11.534 -7.486 1.00 0.00 C ATOM 1505 CG LYS A 96 100.344 -12.298 -8.752 1.00 0.00 C ATOM 1506 CD LYS A 96 99.369 -13.456 -9.007 1.00 0.00 C ATOM 1507 CE LYS A 96 98.170 -12.954 -9.816 1.00 0.00 C ATOM 1508 NZ LYS A 96 97.048 -13.928 -9.698 1.00 0.00 N ATOM 0 H LYS A 96 99.824 -10.701 -4.920 1.00 0.00 H new ATOM 0 HA LYS A 96 100.449 -13.282 -6.338 1.00 0.00 H new ATOM 0 HB2 LYS A 96 98.845 -11.521 -7.396 1.00 0.00 H new ATOM 0 HB3 LYS A 96 100.258 -10.496 -7.553 1.00 0.00 H new ATOM 0 HG2 LYS A 96 100.352 -11.623 -9.608 1.00 0.00 H new ATOM 0 HG3 LYS A 96 101.358 -12.683 -8.640 1.00 0.00 H new ATOM 0 HD2 LYS A 96 99.874 -14.257 -9.547 1.00 0.00 H new ATOM 0 HD3 LYS A 96 99.031 -13.874 -8.059 1.00 0.00 H new ATOM 0 HE2 LYS A 96 97.856 -11.976 -9.452 1.00 0.00 H new ATOM 0 HE3 LYS A 96 98.450 -12.830 -10.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 96.233 -13.587 -10.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 97.351 -14.853 -10.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 96.776 -14.025 -8.699 1.00 0.00 H new ATOM 1522 N ARG A 97 102.883 -12.778 -5.940 1.00 0.00 N ATOM 1523 CA ARG A 97 104.336 -12.466 -5.829 1.00 0.00 C ATOM 1524 C ARG A 97 104.928 -12.195 -7.212 1.00 0.00 C ATOM 1525 O ARG A 97 105.080 -13.092 -8.018 1.00 0.00 O ATOM 1526 CB ARG A 97 105.070 -13.650 -5.191 1.00 0.00 C ATOM 1527 CG ARG A 97 106.578 -13.515 -5.442 1.00 0.00 C ATOM 1528 CD ARG A 97 107.349 -14.300 -4.378 1.00 0.00 C ATOM 1529 NE ARG A 97 108.744 -14.535 -4.848 1.00 0.00 N ATOM 1530 CZ ARG A 97 108.987 -15.468 -5.728 1.00 0.00 C ATOM 1531 NH1 ARG A 97 108.009 -16.194 -6.197 1.00 0.00 N ATOM 1532 NH2 ARG A 97 110.208 -15.674 -6.140 1.00 0.00 N ATOM 0 H ARG A 97 102.640 -13.763 -5.834 1.00 0.00 H new ATOM 0 HA ARG A 97 104.456 -11.578 -5.208 1.00 0.00 H new ATOM 0 HB2 ARG A 97 104.870 -13.680 -4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 97 104.704 -14.587 -5.610 1.00 0.00 H new ATOM 0 HG2 ARG A 97 106.826 -13.889 -6.435 1.00 0.00 H new ATOM 0 HG3 ARG A 97 106.869 -12.465 -5.415 1.00 0.00 H new ATOM 0 HD2 ARG A 97 107.359 -13.747 -3.439 1.00 0.00 H new ATOM 0 HD3 ARG A 97 106.854 -15.252 -4.183 1.00 0.00 H new ATOM 0 HE ARG A 97 109.508 -13.967 -4.482 1.00 0.00 H new ATOM 0 HH11 ARG A 97 107.054 -16.032 -5.876 1.00 0.00 H new ATOM 0 HH12 ARG A 97 108.199 -16.923 -6.885 1.00 0.00 H new ATOM 0 HH21 ARG A 97 110.972 -15.106 -5.774 1.00 0.00 H new ATOM 0 HH22 ARG A 97 110.398 -16.403 -6.828 1.00 0.00 H new ATOM 1546 N GLN A 98 105.287 -10.968 -7.483 1.00 0.00 N ATOM 1547 CA GLN A 98 105.900 -10.636 -8.804 1.00 0.00 C ATOM 1548 C GLN A 98 107.284 -10.026 -8.553 1.00 0.00 C ATOM 1549 O GLN A 98 107.619 -9.689 -7.441 1.00 0.00 O ATOM 1550 CB GLN A 98 105.002 -9.635 -9.549 1.00 0.00 C ATOM 1551 CG GLN A 98 104.225 -10.357 -10.655 1.00 0.00 C ATOM 1552 CD GLN A 98 105.196 -10.840 -11.734 1.00 0.00 C ATOM 1553 OE1 GLN A 98 106.392 -10.661 -11.616 1.00 0.00 O ATOM 1554 NE2 GLN A 98 104.729 -11.449 -12.790 1.00 0.00 N ATOM 0 H GLN A 98 105.182 -10.179 -6.845 1.00 0.00 H new ATOM 0 HA GLN A 98 106.000 -11.533 -9.415 1.00 0.00 H new ATOM 0 HB2 GLN A 98 104.308 -9.166 -8.851 1.00 0.00 H new ATOM 0 HB3 GLN A 98 105.609 -8.838 -9.979 1.00 0.00 H new ATOM 0 HG2 GLN A 98 103.680 -11.203 -10.237 1.00 0.00 H new ATOM 0 HG3 GLN A 98 103.485 -9.686 -11.091 1.00 0.00 H new ATOM 0 HE21 GLN A 98 103.725 -11.600 -12.890 1.00 0.00 H new ATOM 0 HE22 GLN A 98 105.368 -11.774 -13.515 1.00 0.00 H new ATOM 1563 N ASN A 99 108.089 -9.888 -9.572 1.00 0.00 N ATOM 1564 CA ASN A 99 109.453 -9.295 -9.384 1.00 0.00 C ATOM 1565 C ASN A 99 109.660 -8.195 -10.415 1.00 0.00 C ATOM 1566 O ASN A 99 109.816 -8.454 -11.591 1.00 0.00 O ATOM 1567 CB ASN A 99 110.514 -10.382 -9.576 1.00 0.00 C ATOM 1568 CG ASN A 99 110.190 -11.196 -10.830 1.00 0.00 C ATOM 1569 OD1 ASN A 99 110.692 -10.913 -11.899 1.00 0.00 O ATOM 1570 ND2 ASN A 99 109.365 -12.204 -10.743 1.00 0.00 N ATOM 0 H ASN A 99 107.864 -10.159 -10.529 1.00 0.00 H new ATOM 0 HA ASN A 99 109.540 -8.881 -8.380 1.00 0.00 H new ATOM 0 HB2 ASN A 99 111.501 -9.929 -9.669 1.00 0.00 H new ATOM 0 HB3 ASN A 99 110.543 -11.035 -8.703 1.00 0.00 H new ATOM 0 HD21 ASN A 99 109.142 -12.754 -11.573 1.00 0.00 H new ATOM 0 HD22 ASN A 99 108.943 -12.442 -9.845 1.00 0.00 H new ATOM 1577 N LYS A 100 109.665 -6.966 -9.983 1.00 0.00 N ATOM 1578 CA LYS A 100 109.856 -5.840 -10.937 1.00 0.00 C ATOM 1579 C LYS A 100 110.397 -4.630 -10.178 1.00 0.00 C ATOM 1580 O LYS A 100 110.207 -4.501 -8.986 1.00 0.00 O ATOM 1581 CB LYS A 100 108.513 -5.472 -11.591 1.00 0.00 C ATOM 1582 CG LYS A 100 107.589 -6.695 -11.648 1.00 0.00 C ATOM 1583 CD LYS A 100 106.230 -6.283 -12.218 1.00 0.00 C ATOM 1584 CE LYS A 100 105.560 -7.488 -12.883 1.00 0.00 C ATOM 1585 NZ LYS A 100 106.170 -7.719 -14.223 1.00 0.00 N ATOM 0 H LYS A 100 109.545 -6.692 -9.008 1.00 0.00 H new ATOM 0 HA LYS A 100 110.560 -6.139 -11.713 1.00 0.00 H new ATOM 0 HB2 LYS A 100 108.034 -4.673 -11.026 1.00 0.00 H new ATOM 0 HB3 LYS A 100 108.685 -5.091 -12.598 1.00 0.00 H new ATOM 0 HG2 LYS A 100 108.035 -7.472 -12.269 1.00 0.00 H new ATOM 0 HG3 LYS A 100 107.464 -7.116 -10.651 1.00 0.00 H new ATOM 0 HD2 LYS A 100 105.594 -5.895 -11.422 1.00 0.00 H new ATOM 0 HD3 LYS A 100 106.358 -5.480 -12.944 1.00 0.00 H new ATOM 0 HE2 LYS A 100 105.680 -8.374 -12.260 1.00 0.00 H new ATOM 0 HE3 LYS A 100 104.489 -7.312 -12.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 105.457 -8.122 -14.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 106.512 -6.816 -14.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 106.967 -8.380 -14.132 1.00 0.00 H new ATOM 1599 N SER A 101 111.056 -3.735 -10.859 1.00 0.00 N ATOM 1600 CA SER A 101 111.592 -2.530 -10.170 1.00 0.00 C ATOM 1601 C SER A 101 110.463 -1.511 -10.063 1.00 0.00 C ATOM 1602 O SER A 101 109.944 -1.048 -11.054 1.00 0.00 O ATOM 1603 CB SER A 101 112.753 -1.944 -10.978 1.00 0.00 C ATOM 1604 OG SER A 101 113.412 -2.992 -11.678 1.00 0.00 O ATOM 0 H SER A 101 111.246 -3.786 -11.860 1.00 0.00 H new ATOM 0 HA SER A 101 111.961 -2.790 -9.178 1.00 0.00 H new ATOM 0 HB2 SER A 101 112.382 -1.198 -11.681 1.00 0.00 H new ATOM 0 HB3 SER A 101 113.454 -1.437 -10.315 1.00 0.00 H new ATOM 0 HG SER A 101 114.245 -2.652 -12.067 1.00 0.00 H new ATOM 1610 N TYR A 102 110.051 -1.182 -8.871 1.00 0.00 N ATOM 1611 CA TYR A 102 108.922 -0.226 -8.714 1.00 0.00 C ATOM 1612 C TYR A 102 109.430 1.161 -8.380 1.00 0.00 C ATOM 1613 O TYR A 102 110.614 1.411 -8.350 1.00 0.00 O ATOM 1614 CB TYR A 102 108.059 -0.692 -7.553 1.00 0.00 C ATOM 1615 CG TYR A 102 108.958 -1.028 -6.380 1.00 0.00 C ATOM 1616 CD1 TYR A 102 109.798 -0.054 -5.810 1.00 0.00 C ATOM 1617 CD2 TYR A 102 108.944 -2.317 -5.852 1.00 0.00 C ATOM 1618 CE1 TYR A 102 110.616 -0.384 -4.724 1.00 0.00 C ATOM 1619 CE2 TYR A 102 109.756 -2.640 -4.763 1.00 0.00 C ATOM 1620 CZ TYR A 102 110.595 -1.676 -4.201 1.00 0.00 C ATOM 1621 OH TYR A 102 111.398 -2.001 -3.129 1.00 0.00 O ATOM 0 H TYR A 102 110.447 -1.534 -8.000 1.00 0.00 H new ATOM 0 HA TYR A 102 108.362 -0.191 -9.649 1.00 0.00 H new ATOM 0 HB2 TYR A 102 107.350 0.087 -7.274 1.00 0.00 H new ATOM 0 HB3 TYR A 102 107.475 -1.566 -7.843 1.00 0.00 H new ATOM 0 HD1 TYR A 102 109.811 0.949 -6.211 1.00 0.00 H new ATOM 0 HD2 TYR A 102 108.303 -3.069 -6.287 1.00 0.00 H new ATOM 0 HE1 TYR A 102 111.264 0.363 -4.290 1.00 0.00 H new ATOM 0 HE2 TYR A 102 109.735 -3.639 -4.354 1.00 0.00 H new ATOM 0 HH TYR A 102 110.926 -2.631 -2.546 1.00 0.00 H new ATOM 1631 N VAL A 103 108.520 2.055 -8.099 1.00 0.00 N ATOM 1632 CA VAL A 103 108.905 3.440 -7.726 1.00 0.00 C ATOM 1633 C VAL A 103 108.171 3.836 -6.462 1.00 0.00 C ATOM 1634 O VAL A 103 106.972 4.029 -6.460 1.00 0.00 O ATOM 1635 CB VAL A 103 108.519 4.396 -8.837 1.00 0.00 C ATOM 1636 CG1 VAL A 103 109.490 5.587 -8.878 1.00 0.00 C ATOM 1637 CG2 VAL A 103 108.548 3.630 -10.149 1.00 0.00 C ATOM 0 H VAL A 103 107.515 1.879 -8.113 1.00 0.00 H new ATOM 0 HA VAL A 103 109.982 3.484 -7.565 1.00 0.00 H new ATOM 0 HB VAL A 103 107.519 4.794 -8.664 1.00 0.00 H new ATOM 0 HG11 VAL A 103 109.200 6.265 -9.681 1.00 0.00 H new ATOM 0 HG12 VAL A 103 109.457 6.117 -7.926 1.00 0.00 H new ATOM 0 HG13 VAL A 103 110.503 5.225 -9.057 1.00 0.00 H new ATOM 0 HG21 VAL A 103 108.273 4.297 -10.966 1.00 0.00 H new ATOM 0 HG22 VAL A 103 109.551 3.240 -10.321 1.00 0.00 H new ATOM 0 HG23 VAL A 103 107.840 2.802 -10.103 1.00 0.00 H new ATOM 1647 N VAL A 104 108.884 3.972 -5.395 1.00 0.00 N ATOM 1648 CA VAL A 104 108.238 4.375 -4.118 1.00 0.00 C ATOM 1649 C VAL A 104 108.735 5.774 -3.741 1.00 0.00 C ATOM 1650 O VAL A 104 109.855 6.142 -4.033 1.00 0.00 O ATOM 1651 CB VAL A 104 108.554 3.343 -3.011 1.00 0.00 C ATOM 1652 CG1 VAL A 104 109.495 2.266 -3.550 1.00 0.00 C ATOM 1653 CG2 VAL A 104 109.204 4.023 -1.804 1.00 0.00 C ATOM 0 H VAL A 104 109.892 3.822 -5.344 1.00 0.00 H new ATOM 0 HA VAL A 104 107.155 4.403 -4.234 1.00 0.00 H new ATOM 0 HB VAL A 104 107.616 2.886 -2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 104 109.711 1.544 -2.762 1.00 0.00 H new ATOM 0 HG12 VAL A 104 109.022 1.756 -4.389 1.00 0.00 H new ATOM 0 HG13 VAL A 104 110.424 2.728 -3.883 1.00 0.00 H new ATOM 0 HG21 VAL A 104 109.417 3.278 -1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 104 110.133 4.502 -2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 104 108.525 4.774 -1.400 1.00 0.00 H new ATOM 1663 N ALA A 105 107.911 6.563 -3.100 1.00 0.00 N ATOM 1664 CA ALA A 105 108.344 7.934 -2.720 1.00 0.00 C ATOM 1665 C ALA A 105 108.935 7.897 -1.318 1.00 0.00 C ATOM 1666 O ALA A 105 108.811 6.915 -0.611 1.00 0.00 O ATOM 1667 CB ALA A 105 107.147 8.887 -2.756 1.00 0.00 C ATOM 0 H ALA A 105 106.960 6.315 -2.826 1.00 0.00 H new ATOM 0 HA ALA A 105 109.096 8.289 -3.425 1.00 0.00 H new ATOM 0 HB1 ALA A 105 107.471 9.889 -2.477 1.00 0.00 H new ATOM 0 HB2 ALA A 105 106.729 8.908 -3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 105 106.387 8.543 -2.055 1.00 0.00 H new ATOM 1673 N CYS A 106 109.609 8.940 -0.918 1.00 0.00 N ATOM 1674 CA CYS A 106 110.236 8.930 0.441 1.00 0.00 C ATOM 1675 C CYS A 106 109.815 10.162 1.249 1.00 0.00 C ATOM 1676 O CYS A 106 109.476 11.192 0.703 1.00 0.00 O ATOM 1677 CB CYS A 106 111.763 8.903 0.287 1.00 0.00 C ATOM 1678 SG CYS A 106 112.192 8.585 -1.442 1.00 0.00 S ATOM 0 H CYS A 106 109.754 9.790 -1.463 1.00 0.00 H new ATOM 0 HA CYS A 106 109.899 8.044 0.979 1.00 0.00 H new ATOM 0 HB2 CYS A 106 112.188 9.854 0.609 1.00 0.00 H new ATOM 0 HB3 CYS A 106 112.190 8.130 0.926 1.00 0.00 H new ATOM 1683 N LYS A 107 109.842 10.051 2.557 1.00 0.00 N ATOM 1684 CA LYS A 107 109.446 11.201 3.426 1.00 0.00 C ATOM 1685 C LYS A 107 110.297 11.178 4.701 1.00 0.00 C ATOM 1686 O LYS A 107 110.865 10.159 5.057 1.00 0.00 O ATOM 1687 CB LYS A 107 107.961 11.063 3.804 1.00 0.00 C ATOM 1688 CG LYS A 107 107.075 11.719 2.730 1.00 0.00 C ATOM 1689 CD LYS A 107 106.816 13.190 3.074 1.00 0.00 C ATOM 1690 CE LYS A 107 105.694 13.729 2.185 1.00 0.00 C ATOM 1691 NZ LYS A 107 105.619 15.211 2.324 1.00 0.00 N ATOM 0 H LYS A 107 110.123 9.209 3.060 1.00 0.00 H new ATOM 0 HA LYS A 107 109.602 12.139 2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 107 107.701 10.009 3.906 1.00 0.00 H new ATOM 0 HB3 LYS A 107 107.780 11.532 4.771 1.00 0.00 H new ATOM 0 HG2 LYS A 107 107.560 11.647 1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 107 106.128 11.185 2.655 1.00 0.00 H new ATOM 0 HD2 LYS A 107 106.541 13.286 4.124 1.00 0.00 H new ATOM 0 HD3 LYS A 107 107.724 13.775 2.927 1.00 0.00 H new ATOM 0 HE2 LYS A 107 105.878 13.459 1.145 1.00 0.00 H new ATOM 0 HE3 LYS A 107 104.743 13.278 2.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 104.856 15.578 1.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 105.424 15.457 3.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 106.524 15.633 2.034 1.00 0.00 H new ATOM 1705 N PRO A 108 110.380 12.287 5.392 1.00 0.00 N ATOM 1706 CA PRO A 108 111.161 12.376 6.655 1.00 0.00 C ATOM 1707 C PRO A 108 110.459 11.626 7.802 1.00 0.00 C ATOM 1708 O PRO A 108 109.265 11.751 7.986 1.00 0.00 O ATOM 1709 CB PRO A 108 111.221 13.880 6.947 1.00 0.00 C ATOM 1710 CG PRO A 108 110.032 14.463 6.257 1.00 0.00 C ATOM 1711 CD PRO A 108 109.748 13.572 5.046 1.00 0.00 C ATOM 0 HA PRO A 108 112.148 11.921 6.565 1.00 0.00 H new ATOM 0 HB2 PRO A 108 111.188 14.074 8.019 1.00 0.00 H new ATOM 0 HB3 PRO A 108 112.147 14.317 6.572 1.00 0.00 H new ATOM 0 HG2 PRO A 108 109.172 14.493 6.926 1.00 0.00 H new ATOM 0 HG3 PRO A 108 110.229 15.489 5.945 1.00 0.00 H new ATOM 0 HD2 PRO A 108 108.677 13.457 4.877 1.00 0.00 H new ATOM 0 HD3 PRO A 108 110.171 13.992 4.134 1.00 0.00 H new ATOM 1719 N PRO A 109 111.192 10.856 8.565 1.00 0.00 N ATOM 1720 CA PRO A 109 110.621 10.083 9.704 1.00 0.00 C ATOM 1721 C PRO A 109 109.739 10.965 10.595 1.00 0.00 C ATOM 1722 O PRO A 109 110.223 11.787 11.347 1.00 0.00 O ATOM 1723 CB PRO A 109 111.850 9.583 10.471 1.00 0.00 C ATOM 1724 CG PRO A 109 113.001 9.647 9.520 1.00 0.00 C ATOM 1725 CD PRO A 109 112.637 10.649 8.425 1.00 0.00 C ATOM 0 HA PRO A 109 109.976 9.271 9.368 1.00 0.00 H new ATOM 0 HB2 PRO A 109 112.037 10.202 11.349 1.00 0.00 H new ATOM 0 HB3 PRO A 109 111.697 8.564 10.826 1.00 0.00 H new ATOM 0 HG2 PRO A 109 113.909 9.957 10.037 1.00 0.00 H new ATOM 0 HG3 PRO A 109 113.199 8.665 9.091 1.00 0.00 H new ATOM 0 HD2 PRO A 109 113.183 11.584 8.548 1.00 0.00 H new ATOM 0 HD3 PRO A 109 112.886 10.262 7.437 1.00 0.00 H new ATOM 1733 N GLN A 110 108.446 10.807 10.502 1.00 0.00 N ATOM 1734 CA GLN A 110 107.526 11.640 11.328 1.00 0.00 C ATOM 1735 C GLN A 110 107.962 11.606 12.793 1.00 0.00 C ATOM 1736 O GLN A 110 108.862 12.312 13.201 1.00 0.00 O ATOM 1737 CB GLN A 110 106.103 11.089 11.211 1.00 0.00 C ATOM 1738 CG GLN A 110 105.675 11.077 9.743 1.00 0.00 C ATOM 1739 CD GLN A 110 105.288 12.492 9.308 1.00 0.00 C ATOM 1740 OE1 GLN A 110 104.566 13.232 10.106 1.00 0.00 O flip ATOM 1741 NE2 GLN A 110 105.645 12.930 8.233 1.00 0.00 N flip ATOM 0 H GLN A 110 107.986 10.135 9.888 1.00 0.00 H new ATOM 0 HA GLN A 110 107.556 12.669 10.970 1.00 0.00 H new ATOM 0 HB2 GLN A 110 106.058 10.080 11.621 1.00 0.00 H new ATOM 0 HB3 GLN A 110 105.416 11.701 11.795 1.00 0.00 H new ATOM 0 HG2 GLN A 110 106.488 10.704 9.120 1.00 0.00 H new ATOM 0 HG3 GLN A 110 104.832 10.400 9.605 1.00 0.00 H new ATOM 0 HE21 GLN A 110 106.209 12.353 7.609 1.00 0.00 H new ATOM 0 HE22 GLN A 110 105.381 13.875 7.954 1.00 0.00 H new ATOM 1750 N LYS A 111 107.320 10.791 13.586 1.00 0.00 N ATOM 1751 CA LYS A 111 107.677 10.702 15.031 1.00 0.00 C ATOM 1752 C LYS A 111 107.869 9.236 15.411 1.00 0.00 C ATOM 1753 O LYS A 111 108.513 8.917 16.390 1.00 0.00 O ATOM 1754 CB LYS A 111 106.546 11.298 15.867 1.00 0.00 C ATOM 1755 CG LYS A 111 105.253 10.516 15.612 1.00 0.00 C ATOM 1756 CD LYS A 111 104.046 11.388 15.963 1.00 0.00 C ATOM 1757 CE LYS A 111 104.087 11.743 17.451 1.00 0.00 C ATOM 1758 NZ LYS A 111 102.791 12.361 17.850 1.00 0.00 N ATOM 0 H LYS A 111 106.559 10.179 13.293 1.00 0.00 H new ATOM 0 HA LYS A 111 108.599 11.253 15.218 1.00 0.00 H new ATOM 0 HB2 LYS A 111 106.803 11.260 16.925 1.00 0.00 H new ATOM 0 HB3 LYS A 111 106.405 12.348 15.611 1.00 0.00 H new ATOM 0 HG2 LYS A 111 105.201 10.210 14.567 1.00 0.00 H new ATOM 0 HG3 LYS A 111 105.243 9.606 16.211 1.00 0.00 H new ATOM 0 HD2 LYS A 111 104.053 12.297 15.361 1.00 0.00 H new ATOM 0 HD3 LYS A 111 103.122 10.859 15.730 1.00 0.00 H new ATOM 0 HE2 LYS A 111 104.273 10.848 18.044 1.00 0.00 H new ATOM 0 HE3 LYS A 111 104.907 12.433 17.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 102.818 12.602 18.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 102.632 13.224 17.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 102.017 11.688 17.676 1.00 0.00 H new ATOM 1772 N LYS A 112 107.326 8.338 14.635 1.00 0.00 N ATOM 1773 CA LYS A 112 107.493 6.900 14.944 1.00 0.00 C ATOM 1774 C LYS A 112 108.879 6.489 14.468 1.00 0.00 C ATOM 1775 O LYS A 112 109.508 5.622 15.039 1.00 0.00 O ATOM 1776 CB LYS A 112 106.406 6.090 14.219 1.00 0.00 C ATOM 1777 CG LYS A 112 105.703 5.165 15.212 1.00 0.00 C ATOM 1778 CD LYS A 112 106.647 4.029 15.613 1.00 0.00 C ATOM 1779 CE LYS A 112 106.105 3.332 16.862 1.00 0.00 C ATOM 1780 NZ LYS A 112 104.799 2.689 16.545 1.00 0.00 N ATOM 0 H LYS A 112 106.775 8.543 13.802 1.00 0.00 H new ATOM 0 HA LYS A 112 107.395 6.712 16.013 1.00 0.00 H new ATOM 0 HB2 LYS A 112 105.682 6.764 13.760 1.00 0.00 H new ATOM 0 HB3 LYS A 112 106.851 5.505 13.415 1.00 0.00 H new ATOM 0 HG2 LYS A 112 105.398 5.727 16.095 1.00 0.00 H new ATOM 0 HG3 LYS A 112 104.796 4.757 14.765 1.00 0.00 H new ATOM 0 HD2 LYS A 112 106.740 3.314 14.796 1.00 0.00 H new ATOM 0 HD3 LYS A 112 107.645 4.422 15.807 1.00 0.00 H new ATOM 0 HE2 LYS A 112 106.816 2.583 17.211 1.00 0.00 H new ATOM 0 HE3 LYS A 112 105.981 4.054 17.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 104.058 3.090 17.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 104.559 2.863 15.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 104.867 1.665 16.711 1.00 0.00 H new ATOM 1794 N ASP A 113 109.362 7.142 13.437 1.00 0.00 N ATOM 1795 CA ASP A 113 110.727 6.852 12.903 1.00 0.00 C ATOM 1796 C ASP A 113 111.290 5.548 13.486 1.00 0.00 C ATOM 1797 O ASP A 113 111.727 5.500 14.619 1.00 0.00 O ATOM 1798 CB ASP A 113 111.638 8.019 13.284 1.00 0.00 C ATOM 1799 CG ASP A 113 111.890 8.012 14.793 1.00 0.00 C ATOM 1800 OD1 ASP A 113 111.008 8.434 15.523 1.00 0.00 O ATOM 1801 OD2 ASP A 113 112.960 7.584 15.193 1.00 0.00 O ATOM 0 H ASP A 113 108.858 7.875 12.937 1.00 0.00 H new ATOM 0 HA ASP A 113 110.673 6.733 11.821 1.00 0.00 H new ATOM 0 HB2 ASP A 113 112.584 7.943 12.748 1.00 0.00 H new ATOM 0 HB3 ASP A 113 111.179 8.962 12.988 1.00 0.00 H new ATOM 1806 N SER A 114 111.288 4.488 12.725 1.00 0.00 N ATOM 1807 CA SER A 114 111.826 3.206 13.257 1.00 0.00 C ATOM 1808 C SER A 114 113.262 3.417 13.741 1.00 0.00 C ATOM 1809 O SER A 114 113.770 2.664 14.547 1.00 0.00 O ATOM 1810 CB SER A 114 111.783 2.126 12.170 1.00 0.00 C ATOM 1811 OG SER A 114 110.870 1.108 12.561 1.00 0.00 O ATOM 0 H SER A 114 110.940 4.454 11.767 1.00 0.00 H new ATOM 0 HA SER A 114 111.212 2.877 14.095 1.00 0.00 H new ATOM 0 HB2 SER A 114 111.476 2.562 11.219 1.00 0.00 H new ATOM 0 HB3 SER A 114 112.776 1.703 12.021 1.00 0.00 H new ATOM 0 HG SER A 114 110.837 0.415 11.869 1.00 0.00 H new ATOM 1817 N GLN A 115 113.916 4.443 13.270 1.00 0.00 N ATOM 1818 CA GLN A 115 115.310 4.699 13.725 1.00 0.00 C ATOM 1819 C GLN A 115 115.729 6.121 13.343 1.00 0.00 C ATOM 1820 O GLN A 115 116.200 6.868 14.175 1.00 0.00 O ATOM 1821 CB GLN A 115 116.270 3.683 13.090 1.00 0.00 C ATOM 1822 CG GLN A 115 115.800 3.335 11.680 1.00 0.00 C ATOM 1823 CD GLN A 115 116.807 2.388 11.025 1.00 0.00 C ATOM 1824 OE1 GLN A 115 118.077 2.513 11.302 1.00 0.00 O flip ATOM 1825 NE2 GLN A 115 116.436 1.526 10.254 1.00 0.00 N flip ATOM 0 H GLN A 115 113.547 5.111 12.593 1.00 0.00 H new ATOM 0 HA GLN A 115 115.352 4.593 14.809 1.00 0.00 H new ATOM 0 HB2 GLN A 115 117.279 4.095 13.055 1.00 0.00 H new ATOM 0 HB3 GLN A 115 116.315 2.781 13.701 1.00 0.00 H new ATOM 0 HG2 GLN A 115 114.816 2.867 11.718 1.00 0.00 H new ATOM 0 HG3 GLN A 115 115.698 4.243 11.085 1.00 0.00 H new ATOM 0 HE21 GLN A 115 115.444 1.428 10.037 1.00 0.00 H new ATOM 0 HE22 GLN A 115 117.116 0.900 9.823 1.00 0.00 H new ATOM 1834 N GLN A 116 115.564 6.507 12.100 1.00 0.00 N ATOM 1835 CA GLN A 116 115.968 7.895 11.694 1.00 0.00 C ATOM 1836 C GLN A 116 116.019 8.033 10.165 1.00 0.00 C ATOM 1837 O GLN A 116 116.005 9.128 9.645 1.00 0.00 O ATOM 1838 CB GLN A 116 117.367 8.202 12.243 1.00 0.00 C ATOM 1839 CG GLN A 116 118.292 7.006 11.983 1.00 0.00 C ATOM 1840 CD GLN A 116 119.748 7.478 11.954 1.00 0.00 C ATOM 1841 OE1 GLN A 116 120.030 8.631 12.213 1.00 0.00 O ATOM 1842 NE2 GLN A 116 120.690 6.629 11.647 1.00 0.00 N ATOM 0 H GLN A 116 115.172 5.930 11.355 1.00 0.00 H new ATOM 0 HA GLN A 116 115.229 8.588 12.095 1.00 0.00 H new ATOM 0 HB2 GLN A 116 117.768 9.096 11.766 1.00 0.00 H new ATOM 0 HB3 GLN A 116 117.313 8.408 13.312 1.00 0.00 H new ATOM 0 HG2 GLN A 116 118.158 6.254 12.761 1.00 0.00 H new ATOM 0 HG3 GLN A 116 118.034 6.533 11.035 1.00 0.00 H new ATOM 0 HE21 GLN A 116 120.453 5.661 11.430 1.00 0.00 H new ATOM 0 HE22 GLN A 116 121.663 6.933 11.624 1.00 0.00 H new ATOM 1851 N PHE A 117 116.103 6.937 9.453 1.00 0.00 N ATOM 1852 CA PHE A 117 116.185 6.980 7.951 1.00 0.00 C ATOM 1853 C PHE A 117 116.417 8.402 7.430 1.00 0.00 C ATOM 1854 O PHE A 117 117.506 8.736 7.018 1.00 0.00 O ATOM 1855 CB PHE A 117 114.893 6.444 7.347 1.00 0.00 C ATOM 1856 CG PHE A 117 114.495 5.186 8.069 1.00 0.00 C ATOM 1857 CD1 PHE A 117 113.838 5.266 9.300 1.00 0.00 C ATOM 1858 CD2 PHE A 117 114.787 3.938 7.510 1.00 0.00 C ATOM 1859 CE1 PHE A 117 113.471 4.099 9.972 1.00 0.00 C ATOM 1860 CE2 PHE A 117 114.421 2.769 8.181 1.00 0.00 C ATOM 1861 CZ PHE A 117 113.763 2.848 9.412 1.00 0.00 C ATOM 0 H PHE A 117 116.119 5.998 9.851 1.00 0.00 H new ATOM 0 HA PHE A 117 117.033 6.362 7.656 1.00 0.00 H new ATOM 0 HB2 PHE A 117 114.102 7.190 7.428 1.00 0.00 H new ATOM 0 HB3 PHE A 117 115.031 6.240 6.285 1.00 0.00 H new ATOM 0 HD1 PHE A 117 113.614 6.231 9.731 1.00 0.00 H new ATOM 0 HD2 PHE A 117 115.296 3.878 6.559 1.00 0.00 H new ATOM 0 HE1 PHE A 117 112.962 4.160 10.923 1.00 0.00 H new ATOM 0 HE2 PHE A 117 114.646 1.805 7.749 1.00 0.00 H new ATOM 0 HZ PHE A 117 113.480 1.945 9.932 1.00 0.00 H new ATOM 1871 N HIS A 118 115.381 9.215 7.414 1.00 0.00 N ATOM 1872 CA HIS A 118 115.490 10.622 6.885 1.00 0.00 C ATOM 1873 C HIS A 118 114.905 10.627 5.478 1.00 0.00 C ATOM 1874 O HIS A 118 115.127 11.528 4.694 1.00 0.00 O ATOM 1875 CB HIS A 118 116.946 11.108 6.834 1.00 0.00 C ATOM 1876 CG HIS A 118 117.579 10.963 8.193 1.00 0.00 C ATOM 1877 ND1 HIS A 118 118.757 10.256 8.389 1.00 0.00 N ATOM 1878 CD2 HIS A 118 117.212 11.431 9.430 1.00 0.00 C ATOM 1879 CE1 HIS A 118 119.055 10.319 9.700 1.00 0.00 C ATOM 1880 NE2 HIS A 118 118.145 11.023 10.376 1.00 0.00 N ATOM 0 H HIS A 118 114.452 8.961 7.749 1.00 0.00 H new ATOM 0 HA HIS A 118 114.950 11.296 7.550 1.00 0.00 H new ATOM 0 HB2 HIS A 118 117.506 10.531 6.098 1.00 0.00 H new ATOM 0 HB3 HIS A 118 116.981 12.150 6.516 1.00 0.00 H new ATOM 0 HD1 HIS A 118 119.299 9.776 7.670 1.00 0.00 H new ATOM 0 HD2 HIS A 118 116.334 12.025 9.636 1.00 0.00 H new ATOM 0 HE1 HIS A 118 119.922 9.857 10.149 1.00 0.00 H new ATOM 1889 N LEU A 119 114.160 9.602 5.172 1.00 0.00 N ATOM 1890 CA LEU A 119 113.528 9.460 3.824 1.00 0.00 C ATOM 1891 C LEU A 119 112.785 8.127 3.799 1.00 0.00 C ATOM 1892 O LEU A 119 112.711 7.444 2.803 1.00 0.00 O ATOM 1893 CB LEU A 119 114.614 9.509 2.726 1.00 0.00 C ATOM 1894 CG LEU A 119 115.435 8.187 2.595 1.00 0.00 C ATOM 1895 CD1 LEU A 119 115.326 7.290 3.839 1.00 0.00 C ATOM 1896 CD2 LEU A 119 114.979 7.391 1.359 1.00 0.00 C ATOM 0 H LEU A 119 113.956 8.836 5.814 1.00 0.00 H new ATOM 0 HA LEU A 119 112.830 10.276 3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 119 114.141 9.729 1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 119 115.297 10.331 2.940 1.00 0.00 H new ATOM 0 HG LEU A 119 116.479 8.484 2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 119 115.917 6.387 3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 119 115.700 7.828 4.710 1.00 0.00 H new ATOM 0 HD13 LEU A 119 114.283 7.018 4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 119 115.561 6.473 1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 119 113.922 7.143 1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 119 115.131 7.992 0.463 1.00 0.00 H new ATOM 1908 N VAL A 120 112.259 7.759 4.926 1.00 0.00 N ATOM 1909 CA VAL A 120 111.532 6.468 5.071 1.00 0.00 C ATOM 1910 C VAL A 120 110.741 6.127 3.796 1.00 0.00 C ATOM 1911 O VAL A 120 110.386 7.004 3.033 1.00 0.00 O ATOM 1912 CB VAL A 120 110.596 6.615 6.272 1.00 0.00 C ATOM 1913 CG1 VAL A 120 111.439 6.978 7.501 1.00 0.00 C ATOM 1914 CG2 VAL A 120 109.576 7.738 6.011 1.00 0.00 C ATOM 0 H VAL A 120 112.302 8.314 5.781 1.00 0.00 H new ATOM 0 HA VAL A 120 112.235 5.650 5.226 1.00 0.00 H new ATOM 0 HB VAL A 120 110.060 5.680 6.437 1.00 0.00 H new ATOM 0 HG11 VAL A 120 110.789 7.087 8.369 1.00 0.00 H new ATOM 0 HG12 VAL A 120 112.166 6.188 7.690 1.00 0.00 H new ATOM 0 HG13 VAL A 120 111.962 7.917 7.319 1.00 0.00 H new ATOM 0 HG21 VAL A 120 108.914 7.835 6.871 1.00 0.00 H new ATOM 0 HG22 VAL A 120 110.103 8.678 5.851 1.00 0.00 H new ATOM 0 HG23 VAL A 120 108.988 7.497 5.126 1.00 0.00 H new ATOM 1924 N PRO A 121 110.454 4.859 3.567 1.00 0.00 N ATOM 1925 CA PRO A 121 109.681 4.420 2.374 1.00 0.00 C ATOM 1926 C PRO A 121 108.202 4.697 2.610 1.00 0.00 C ATOM 1927 O PRO A 121 107.516 3.955 3.284 1.00 0.00 O ATOM 1928 CB PRO A 121 109.968 2.922 2.286 1.00 0.00 C ATOM 1929 CG PRO A 121 110.230 2.495 3.691 1.00 0.00 C ATOM 1930 CD PRO A 121 110.819 3.710 4.418 1.00 0.00 C ATOM 0 HA PRO A 121 109.951 4.936 1.453 1.00 0.00 H new ATOM 0 HB2 PRO A 121 109.122 2.382 1.861 1.00 0.00 H new ATOM 0 HB3 PRO A 121 110.827 2.722 1.646 1.00 0.00 H new ATOM 0 HG2 PRO A 121 109.310 2.164 4.173 1.00 0.00 H new ATOM 0 HG3 PRO A 121 110.924 1.655 3.717 1.00 0.00 H new ATOM 0 HD2 PRO A 121 110.406 3.812 5.421 1.00 0.00 H new ATOM 0 HD3 PRO A 121 111.900 3.623 4.526 1.00 0.00 H new ATOM 1938 N VAL A 122 107.732 5.806 2.126 1.00 0.00 N ATOM 1939 CA VAL A 122 106.326 6.198 2.388 1.00 0.00 C ATOM 1940 C VAL A 122 105.361 5.730 1.291 1.00 0.00 C ATOM 1941 O VAL A 122 104.651 4.764 1.463 1.00 0.00 O ATOM 1942 CB VAL A 122 106.285 7.731 2.551 1.00 0.00 C ATOM 1943 CG1 VAL A 122 107.524 8.341 1.905 1.00 0.00 C ATOM 1944 CG2 VAL A 122 105.045 8.330 1.890 1.00 0.00 C ATOM 0 H VAL A 122 108.265 6.463 1.556 1.00 0.00 H new ATOM 0 HA VAL A 122 105.987 5.706 3.299 1.00 0.00 H new ATOM 0 HB VAL A 122 106.255 7.955 3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 122 107.498 9.425 2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 122 108.418 7.947 2.389 1.00 0.00 H new ATOM 0 HG13 VAL A 122 107.544 8.088 0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 122 105.048 9.412 2.024 1.00 0.00 H new ATOM 0 HG22 VAL A 122 105.051 8.096 0.825 1.00 0.00 H new ATOM 0 HG23 VAL A 122 104.150 7.910 2.348 1.00 0.00 H new ATOM 1954 N HIS A 123 105.266 6.442 0.208 1.00 0.00 N ATOM 1955 CA HIS A 123 104.265 6.074 -0.834 1.00 0.00 C ATOM 1956 C HIS A 123 104.848 5.176 -1.918 1.00 0.00 C ATOM 1957 O HIS A 123 106.031 4.909 -1.977 1.00 0.00 O ATOM 1958 CB HIS A 123 103.745 7.360 -1.482 1.00 0.00 C ATOM 1959 CG HIS A 123 102.538 7.055 -2.326 1.00 0.00 C ATOM 1960 ND1 HIS A 123 101.269 6.916 -1.782 1.00 0.00 N ATOM 1961 CD2 HIS A 123 102.388 6.871 -3.678 1.00 0.00 C ATOM 1962 CE1 HIS A 123 100.419 6.660 -2.794 1.00 0.00 C ATOM 1963 NE2 HIS A 123 101.052 6.622 -3.967 1.00 0.00 N ATOM 0 H HIS A 123 105.835 7.262 -0.004 1.00 0.00 H new ATOM 0 HA HIS A 123 103.465 5.517 -0.346 1.00 0.00 H new ATOM 0 HB2 HIS A 123 103.487 8.087 -0.712 1.00 0.00 H new ATOM 0 HB3 HIS A 123 104.525 7.809 -2.096 1.00 0.00 H new ATOM 0 HD1 HIS A 123 101.025 6.994 -0.795 1.00 0.00 H new ATOM 0 HD2 HIS A 123 103.186 6.913 -4.405 1.00 0.00 H new ATOM 0 HE1 HIS A 123 99.357 6.505 -2.671 1.00 0.00 H new ATOM 1972 N LEU A 124 103.986 4.730 -2.787 1.00 0.00 N ATOM 1973 CA LEU A 124 104.390 3.866 -3.923 1.00 0.00 C ATOM 1974 C LEU A 124 103.948 4.578 -5.201 1.00 0.00 C ATOM 1975 O LEU A 124 102.769 4.718 -5.458 1.00 0.00 O ATOM 1976 CB LEU A 124 103.678 2.516 -3.808 1.00 0.00 C ATOM 1977 CG LEU A 124 104.063 1.619 -5.007 1.00 0.00 C ATOM 1978 CD1 LEU A 124 104.985 0.484 -4.543 1.00 0.00 C ATOM 1979 CD2 LEU A 124 102.798 1.026 -5.654 1.00 0.00 C ATOM 0 H LEU A 124 102.988 4.937 -2.753 1.00 0.00 H new ATOM 0 HA LEU A 124 105.466 3.692 -3.928 1.00 0.00 H new ATOM 0 HB2 LEU A 124 103.953 2.028 -2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 124 102.598 2.664 -3.785 1.00 0.00 H new ATOM 0 HG LEU A 124 104.588 2.228 -5.743 1.00 0.00 H new ATOM 0 HD11 LEU A 124 105.250 -0.141 -5.396 1.00 0.00 H new ATOM 0 HD12 LEU A 124 105.891 0.906 -4.107 1.00 0.00 H new ATOM 0 HD13 LEU A 124 104.471 -0.120 -3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 124 103.082 0.396 -6.497 1.00 0.00 H new ATOM 0 HD22 LEU A 124 102.260 0.428 -4.919 1.00 0.00 H new ATOM 0 HD23 LEU A 124 102.156 1.834 -6.005 1.00 0.00 H new ATOM 1991 N ASP A 125 104.865 5.063 -5.992 1.00 0.00 N ATOM 1992 CA ASP A 125 104.444 5.794 -7.219 1.00 0.00 C ATOM 1993 C ASP A 125 103.926 4.810 -8.270 1.00 0.00 C ATOM 1994 O ASP A 125 102.927 5.055 -8.915 1.00 0.00 O ATOM 1995 CB ASP A 125 105.628 6.593 -7.777 1.00 0.00 C ATOM 1996 CG ASP A 125 105.161 8.000 -8.160 1.00 0.00 C ATOM 1997 OD1 ASP A 125 104.588 8.664 -7.312 1.00 0.00 O ATOM 1998 OD2 ASP A 125 105.385 8.389 -9.294 1.00 0.00 O ATOM 0 H ASP A 125 105.872 4.987 -5.846 1.00 0.00 H new ATOM 0 HA ASP A 125 103.639 6.483 -6.964 1.00 0.00 H new ATOM 0 HB2 ASP A 125 106.423 6.652 -7.034 1.00 0.00 H new ATOM 0 HB3 ASP A 125 106.044 6.087 -8.648 1.00 0.00 H new ATOM 2003 N ARG A 126 104.587 3.701 -8.453 1.00 0.00 N ATOM 2004 CA ARG A 126 104.107 2.724 -9.469 1.00 0.00 C ATOM 2005 C ARG A 126 104.989 1.481 -9.473 1.00 0.00 C ATOM 2006 O ARG A 126 105.938 1.374 -8.727 1.00 0.00 O ATOM 2007 CB ARG A 126 104.131 3.356 -10.864 1.00 0.00 C ATOM 2008 CG ARG A 126 105.431 4.146 -11.087 1.00 0.00 C ATOM 2009 CD ARG A 126 105.122 5.454 -11.821 1.00 0.00 C ATOM 2010 NE ARG A 126 104.172 6.267 -11.011 1.00 0.00 N ATOM 2011 CZ ARG A 126 103.890 7.490 -11.368 1.00 0.00 C ATOM 2012 NH1 ARG A 126 104.439 8.001 -12.435 1.00 0.00 N ATOM 2013 NH2 ARG A 126 103.058 8.201 -10.657 1.00 0.00 N ATOM 0 H ARG A 126 105.431 3.431 -7.948 1.00 0.00 H new ATOM 0 HA ARG A 126 103.086 2.442 -9.212 1.00 0.00 H new ATOM 0 HB2 ARG A 126 104.039 2.578 -11.622 1.00 0.00 H new ATOM 0 HB3 ARG A 126 103.274 4.018 -10.982 1.00 0.00 H new ATOM 0 HG2 ARG A 126 105.907 4.359 -10.130 1.00 0.00 H new ATOM 0 HG3 ARG A 126 106.135 3.550 -11.668 1.00 0.00 H new ATOM 0 HD2 ARG A 126 106.042 6.013 -11.992 1.00 0.00 H new ATOM 0 HD3 ARG A 126 104.692 5.241 -12.800 1.00 0.00 H new ATOM 0 HE ARG A 126 103.742 5.867 -10.177 1.00 0.00 H new ATOM 0 HH11 ARG A 126 105.089 7.445 -12.990 1.00 0.00 H new ATOM 0 HH12 ARG A 126 104.218 8.957 -12.714 1.00 0.00 H new ATOM 0 HH21 ARG A 126 102.629 7.801 -9.823 1.00 0.00 H new ATOM 0 HH22 ARG A 126 102.837 9.157 -10.935 1.00 0.00 H new ATOM 2027 N VAL A 127 104.669 0.538 -10.317 1.00 0.00 N ATOM 2028 CA VAL A 127 105.471 -0.714 -10.396 1.00 0.00 C ATOM 2029 C VAL A 127 106.069 -0.830 -11.803 1.00 0.00 C ATOM 2030 O VAL A 127 105.398 -0.605 -12.790 1.00 0.00 O ATOM 2031 CB VAL A 127 104.562 -1.912 -10.105 1.00 0.00 C ATOM 2032 CG1 VAL A 127 105.337 -2.961 -9.309 1.00 0.00 C ATOM 2033 CG2 VAL A 127 103.362 -1.443 -9.279 1.00 0.00 C ATOM 0 H VAL A 127 103.879 0.583 -10.960 1.00 0.00 H new ATOM 0 HA VAL A 127 106.277 -0.696 -9.663 1.00 0.00 H new ATOM 0 HB VAL A 127 104.220 -2.346 -11.045 1.00 0.00 H new ATOM 0 HG11 VAL A 127 104.689 -3.813 -9.103 1.00 0.00 H new ATOM 0 HG12 VAL A 127 106.199 -3.293 -9.887 1.00 0.00 H new ATOM 0 HG13 VAL A 127 105.676 -2.527 -8.369 1.00 0.00 H new ATOM 0 HG21 VAL A 127 102.711 -2.292 -9.069 1.00 0.00 H new ATOM 0 HG22 VAL A 127 103.712 -1.013 -8.341 1.00 0.00 H new ATOM 0 HG23 VAL A 127 102.807 -0.690 -9.839 1.00 0.00 H new ATOM 2043 N LEU A 128 107.329 -1.169 -11.900 1.00 0.00 N ATOM 2044 CA LEU A 128 107.978 -1.288 -13.242 1.00 0.00 C ATOM 2045 C LEU A 128 108.568 -2.692 -13.397 1.00 0.00 C ATOM 2046 O LEU A 128 107.996 -3.475 -14.136 1.00 0.00 O ATOM 2047 CB LEU A 128 109.098 -0.237 -13.358 1.00 0.00 C ATOM 2048 CG LEU A 128 108.985 0.510 -14.691 1.00 0.00 C ATOM 2049 CD1 LEU A 128 109.962 1.686 -14.700 1.00 0.00 C ATOM 2050 CD2 LEU A 128 109.328 -0.443 -15.837 1.00 0.00 C ATOM 2051 OXT LEU A 128 109.582 -2.958 -12.773 1.00 0.00 O ATOM 0 H LEU A 128 107.938 -1.369 -11.107 1.00 0.00 H new ATOM 0 HA LEU A 128 107.240 -1.119 -14.026 1.00 0.00 H new ATOM 0 HB2 LEU A 128 109.032 0.469 -12.530 1.00 0.00 H new ATOM 0 HB3 LEU A 128 110.071 -0.722 -13.286 1.00 0.00 H new ATOM 0 HG LEU A 128 107.968 0.881 -14.816 1.00 0.00 H new ATOM 0 HD11 LEU A 128 109.882 2.218 -15.648 1.00 0.00 H new ATOM 0 HD12 LEU A 128 109.722 2.365 -13.882 1.00 0.00 H new ATOM 0 HD13 LEU A 128 110.979 1.315 -14.577 1.00 0.00 H new ATOM 0 HD21 LEU A 128 109.248 0.086 -16.787 1.00 0.00 H new ATOM 0 HD22 LEU A 128 110.346 -0.812 -15.711 1.00 0.00 H new ATOM 0 HD23 LEU A 128 108.634 -1.284 -15.831 1.00 0.00 H new TER 2063 LEU A 128