USER MOD reduce.3.24.130724 H: found=0, std=0, add=1039, rem=0, adj=46 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 -171:sc= -1.73 (180deg=-1.98) USER MOD Set 1.2: A 41 ASN : amide:sc= -9.31! C(o=-15!,f=-16!) USER MOD Set 1.3: A 93 TYR OH : rot 22:sc= -3.95! USER MOD Set 2.1: A 84 THR OG1 : rot -47:sc= -0.6! USER MOD Set 2.2: A 85 SER OG : rot -101:sc= -0.468! USER MOD Set 3.1: A 17 GLN :FLIP amide:sc= -12.1! C(o=-22!,f=-19!) USER MOD Set 3.2: A 45 HIS : no HD1:sc= -3.29! C(o=-19!,f=-30!) USER MOD Set 3.3: A 79 THR OG1 : rot 51:sc= -3.9! USER MOD Set 4.1: A 49 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 115 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Set 5.1: A 15 HIS :FLIP no HE2:sc= -10.5! C(o=-14!,f=-10!) USER MOD Set 5.2: A 42 THR OG1 : rot 101:sc= 0.172 USER MOD Set 6.1: A 9 GLN :FLIP amide:sc= -1.77 F(o=-12!,f=-1.9) USER MOD Set 6.2: A 12 LYS NZ :NH3+ -151:sc= -0.155 (180deg=-1.42!) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -163:sc= -0.0686 (180deg=-0.618) USER MOD Single : A 1 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.141) USER MOD Single : A 3 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.121) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -101:sc= -2.82! USER MOD Single : A 7 SER OG : rot 110:sc= -0.69 USER MOD Single : A 8 SER OG : rot 57:sc= -0.0758 USER MOD Single : A 14 GLN : amide:sc= -11.4! C(o=-11!,f=-17!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -61:sc= 0.937 USER MOD Single : A 21 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.33) USER MOD Single : A 24 ASN :FLIP amide:sc= -5.15! C(o=-12!,f=-5.1!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -136:sc= 0.153 (180deg=-1.38!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 31 ASN : amide:sc= -5.29! C(o=-5.3!,f=-8.4!) USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= -0.0453 (180deg=-0.781) USER MOD Single : A 33 HIS : no HD1:sc= -4.19! C(o=-4.2!,f=-4.7!) USER MOD Single : A 34 THR OG1 : rot -99:sc= 0.0372 USER MOD Single : A 35 LYS NZ :NH3+ -177:sc= 0.159 (180deg=0.157) USER MOD Single : A 38 LYS NZ :NH3+ -141:sc= -2.45! (180deg=-3.7!) USER MOD Single : A 50 SER OG : rot 170:sc= 0 USER MOD Single : A 54 THR OG1 : rot 69:sc= -0.0574 USER MOD Single : A 56 GLN : amide:sc= -0.904 K(o=-0.9,f=-1.7) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.6 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.307 X(o=-0.31,f=-0.31) USER MOD Single : A 67 LYS NZ :NH3+ 158:sc= -0.0344 (180deg=-0.317) USER MOD Single : A 68 ASN : amide:sc= -1.96! X(o=-2!,f=-2.1) USER MOD Single : A 70 HIS : no HD1:sc= -15.2! C(o=-15!,f=-19!) USER MOD Single : A 71 GLN : amide:sc= -7.83! C(o=-7.8!,f=-9.8!) USER MOD Single : A 72 SER OG : rot 92:sc= 0.227 USER MOD Single : A 73 HIS :FLIP no HD1:sc= -0.388 F(o=-1.1,f=-0.39) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 137:sc= -0.314 (180deg=-2.41!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 13:sc= -0.601 USER MOD Single : A 90 ASN :FLIP amide:sc= -1.74! C(o=-3.7!,f=-1.7!) USER MOD Single : A 94 LYS NZ :NH3+ 156:sc= -0.363 (180deg=-1.08) USER MOD Single : A 96 LYS NZ :NH3+ 133:sc= -0.291 (180deg=-1.2!) USER MOD Single : A 98 GLN :FLIP amide:sc= -1.09 F(o=-9!,f=-1.1) USER MOD Single : A 99 ASN :FLIP amide:sc= -2.35 F(o=-4.2!,f=-2.3) USER MOD Single : A 100 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.0311) USER MOD Single : A 101 SER OG : rot 180:sc= -2.64! USER MOD Single : A 102 TYR OH : rot 150:sc= -1.1 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN :FLIP amide:sc= -0.822 F(o=-2.7!,f=-0.82) USER MOD Single : A 111 LYS NZ :NH3+ -170:sc= -4.27! (180deg=-4.67!) USER MOD Single : A 112 LYS NZ :NH3+ -169:sc= -0.0047 (180deg=-0.228) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -0.0313 X(o=-0.031,f=-0.22) USER MOD Single : A 118 HIS : no HD1:sc= -0.167 X(o=-0.17,f=-0.13) USER MOD Single : A 123 HIS : no HD1:sc= -6.39! C(o=-6.4!,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 95.068 16.391 16.121 1.00 0.00 N ATOM 2 CA MET A 0 96.458 16.085 16.562 1.00 0.00 C ATOM 3 C MET A 0 97.186 15.315 15.458 1.00 0.00 C ATOM 4 O MET A 0 96.575 14.643 14.651 1.00 0.00 O ATOM 5 CB MET A 0 96.414 15.234 17.833 1.00 0.00 C ATOM 6 CG MET A 0 95.653 15.987 18.926 1.00 0.00 C ATOM 7 SD MET A 0 95.665 15.012 20.451 1.00 0.00 S ATOM 8 CE MET A 0 94.389 15.948 21.328 1.00 0.00 C ATOM 0 H1 MET A 0 94.671 17.142 16.721 1.00 0.00 H new ATOM 0 H2 MET A 0 95.080 16.709 15.131 1.00 0.00 H new ATOM 0 H3 MET A 0 94.482 15.536 16.203 1.00 0.00 H new ATOM 0 HA MET A 0 96.988 17.016 16.766 1.00 0.00 H new ATOM 0 HB2 MET A 0 95.928 14.280 17.628 1.00 0.00 H new ATOM 0 HB3 MET A 0 97.427 15.010 18.169 1.00 0.00 H new ATOM 0 HG2 MET A 0 96.113 16.960 19.100 1.00 0.00 H new ATOM 0 HG3 MET A 0 94.627 16.172 18.608 1.00 0.00 H new ATOM 0 HE1 MET A 0 94.231 15.511 22.314 1.00 0.00 H new ATOM 0 HE2 MET A 0 94.708 16.984 21.437 1.00 0.00 H new ATOM 0 HE3 MET A 0 93.458 15.913 20.762 1.00 0.00 H new ATOM 20 N LYS A 1 98.487 15.408 15.416 1.00 0.00 N ATOM 21 CA LYS A 1 99.252 14.682 14.364 1.00 0.00 C ATOM 22 C LYS A 1 99.211 13.176 14.658 1.00 0.00 C ATOM 23 O LYS A 1 99.119 12.769 15.799 1.00 0.00 O ATOM 24 CB LYS A 1 100.704 15.167 14.369 1.00 0.00 C ATOM 25 CG LYS A 1 100.734 16.689 14.530 1.00 0.00 C ATOM 26 CD LYS A 1 99.861 17.335 13.451 1.00 0.00 C ATOM 27 CE LYS A 1 100.178 18.829 13.364 1.00 0.00 C ATOM 28 NZ LYS A 1 99.818 19.489 14.651 1.00 0.00 N ATOM 0 H LYS A 1 99.053 15.955 16.065 1.00 0.00 H new ATOM 0 HA LYS A 1 98.809 14.874 13.387 1.00 0.00 H new ATOM 0 HB2 LYS A 1 101.254 14.694 15.183 1.00 0.00 H new ATOM 0 HB3 LYS A 1 101.198 14.879 13.441 1.00 0.00 H new ATOM 0 HG2 LYS A 1 100.373 16.968 15.520 1.00 0.00 H new ATOM 0 HG3 LYS A 1 101.758 17.053 14.450 1.00 0.00 H new ATOM 0 HD2 LYS A 1 100.042 16.857 12.488 1.00 0.00 H new ATOM 0 HD3 LYS A 1 98.807 17.189 13.686 1.00 0.00 H new ATOM 0 HE2 LYS A 1 101.237 18.975 13.152 1.00 0.00 H new ATOM 0 HE3 LYS A 1 99.623 19.282 12.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 99.822 20.521 14.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 98.870 19.180 14.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 100.510 19.227 15.381 1.00 0.00 H new ATOM 42 N PRO A 2 99.280 12.351 13.640 1.00 0.00 N ATOM 43 CA PRO A 2 99.252 10.870 13.807 1.00 0.00 C ATOM 44 C PRO A 2 100.148 10.389 14.952 1.00 0.00 C ATOM 45 O PRO A 2 100.807 11.167 15.613 1.00 0.00 O ATOM 46 CB PRO A 2 99.780 10.344 12.471 1.00 0.00 C ATOM 47 CG PRO A 2 99.430 11.395 11.468 1.00 0.00 C ATOM 48 CD PRO A 2 99.390 12.733 12.219 1.00 0.00 C ATOM 0 HA PRO A 2 98.252 10.516 14.057 1.00 0.00 H new ATOM 0 HB2 PRO A 2 100.857 10.181 12.510 1.00 0.00 H new ATOM 0 HB3 PRO A 2 99.322 9.388 12.216 1.00 0.00 H new ATOM 0 HG2 PRO A 2 100.168 11.424 10.666 1.00 0.00 H new ATOM 0 HG3 PRO A 2 98.466 11.182 11.006 1.00 0.00 H new ATOM 0 HD2 PRO A 2 100.289 13.320 12.034 1.00 0.00 H new ATOM 0 HD3 PRO A 2 98.542 13.341 11.904 1.00 0.00 H new ATOM 56 N LYS A 3 100.184 9.106 15.174 1.00 0.00 N ATOM 57 CA LYS A 3 101.040 8.553 16.256 1.00 0.00 C ATOM 58 C LYS A 3 101.127 7.039 16.068 1.00 0.00 C ATOM 59 O LYS A 3 100.129 6.358 15.950 1.00 0.00 O ATOM 60 CB LYS A 3 100.437 8.894 17.627 1.00 0.00 C ATOM 61 CG LYS A 3 99.437 7.815 18.049 1.00 0.00 C ATOM 62 CD LYS A 3 98.622 8.312 19.244 1.00 0.00 C ATOM 63 CE LYS A 3 97.601 7.246 19.645 1.00 0.00 C ATOM 64 NZ LYS A 3 98.304 6.112 20.311 1.00 0.00 N ATOM 0 H LYS A 3 99.653 8.412 14.648 1.00 0.00 H new ATOM 0 HA LYS A 3 102.039 8.988 16.210 1.00 0.00 H new ATOM 0 HB2 LYS A 3 101.230 8.976 18.371 1.00 0.00 H new ATOM 0 HB3 LYS A 3 99.940 9.863 17.583 1.00 0.00 H new ATOM 0 HG2 LYS A 3 98.774 7.574 17.218 1.00 0.00 H new ATOM 0 HG3 LYS A 3 99.965 6.898 18.312 1.00 0.00 H new ATOM 0 HD2 LYS A 3 99.283 8.531 20.083 1.00 0.00 H new ATOM 0 HD3 LYS A 3 98.112 9.241 18.989 1.00 0.00 H new ATOM 0 HE2 LYS A 3 96.858 7.673 20.318 1.00 0.00 H new ATOM 0 HE3 LYS A 3 97.066 6.890 18.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 97.605 5.488 20.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 98.843 5.574 19.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 98.954 6.483 21.033 1.00 0.00 H new ATOM 78 N GLY A 4 102.310 6.508 16.016 1.00 0.00 N ATOM 79 CA GLY A 4 102.445 5.041 15.810 1.00 0.00 C ATOM 80 C GLY A 4 102.090 4.724 14.358 1.00 0.00 C ATOM 81 O GLY A 4 101.898 3.583 13.987 1.00 0.00 O ATOM 0 H GLY A 4 103.187 7.021 16.106 1.00 0.00 H new ATOM 0 HA2 GLY A 4 103.463 4.719 16.031 1.00 0.00 H new ATOM 0 HA3 GLY A 4 101.785 4.500 16.489 1.00 0.00 H new ATOM 85 N MET A 5 101.996 5.737 13.535 1.00 0.00 N ATOM 86 CA MET A 5 101.647 5.518 12.105 1.00 0.00 C ATOM 87 C MET A 5 102.484 6.445 11.225 1.00 0.00 C ATOM 88 O MET A 5 101.963 7.143 10.377 1.00 0.00 O ATOM 89 CB MET A 5 100.165 5.823 11.896 1.00 0.00 C ATOM 90 CG MET A 5 99.346 5.021 12.903 1.00 0.00 C ATOM 91 SD MET A 5 97.581 5.259 12.577 1.00 0.00 S ATOM 92 CE MET A 5 96.978 3.872 13.571 1.00 0.00 C ATOM 0 H MET A 5 102.148 6.711 13.797 1.00 0.00 H new ATOM 0 HA MET A 5 101.851 4.482 11.835 1.00 0.00 H new ATOM 0 HB2 MET A 5 99.979 6.889 12.023 1.00 0.00 H new ATOM 0 HB3 MET A 5 99.868 5.566 10.879 1.00 0.00 H new ATOM 0 HG2 MET A 5 99.600 3.963 12.833 1.00 0.00 H new ATOM 0 HG3 MET A 5 99.585 5.340 13.918 1.00 0.00 H new ATOM 0 HE1 MET A 5 95.890 3.829 13.513 1.00 0.00 H new ATOM 0 HE2 MET A 5 97.399 2.941 13.190 1.00 0.00 H new ATOM 0 HE3 MET A 5 97.281 4.009 14.609 1.00 0.00 H new ATOM 102 N THR A 6 103.778 6.463 11.411 1.00 0.00 N ATOM 103 CA THR A 6 104.627 7.353 10.571 1.00 0.00 C ATOM 104 C THR A 6 104.230 7.168 9.100 1.00 0.00 C ATOM 105 O THR A 6 103.543 6.233 8.755 1.00 0.00 O ATOM 106 CB THR A 6 106.114 7.021 10.789 1.00 0.00 C ATOM 107 OG1 THR A 6 106.593 7.758 11.905 1.00 0.00 O ATOM 108 CG2 THR A 6 106.936 7.398 9.554 1.00 0.00 C ATOM 0 H THR A 6 104.279 5.905 12.102 1.00 0.00 H new ATOM 0 HA THR A 6 104.474 8.395 10.853 1.00 0.00 H new ATOM 0 HB THR A 6 106.214 5.950 10.967 1.00 0.00 H new ATOM 0 HG1 THR A 6 107.097 8.537 11.590 1.00 0.00 H new ATOM 0 HG21 THR A 6 107.985 7.156 9.727 1.00 0.00 H new ATOM 0 HG22 THR A 6 106.573 6.840 8.691 1.00 0.00 H new ATOM 0 HG23 THR A 6 106.837 8.467 9.363 1.00 0.00 H new ATOM 116 N SER A 7 104.639 8.053 8.232 1.00 0.00 N ATOM 117 CA SER A 7 104.258 7.911 6.796 1.00 0.00 C ATOM 118 C SER A 7 104.625 6.507 6.304 1.00 0.00 C ATOM 119 O SER A 7 103.778 5.749 5.874 1.00 0.00 O ATOM 120 CB SER A 7 105.005 8.956 5.968 1.00 0.00 C ATOM 121 OG SER A 7 104.373 9.091 4.702 1.00 0.00 O ATOM 0 H SER A 7 105.217 8.864 8.452 1.00 0.00 H new ATOM 0 HA SER A 7 103.184 8.061 6.688 1.00 0.00 H new ATOM 0 HB2 SER A 7 105.010 9.914 6.489 1.00 0.00 H new ATOM 0 HB3 SER A 7 106.045 8.658 5.838 1.00 0.00 H new ATOM 0 HG SER A 7 103.926 9.962 4.651 1.00 0.00 H new ATOM 127 N SER A 8 105.878 6.153 6.372 1.00 0.00 N ATOM 128 CA SER A 8 106.300 4.796 5.918 1.00 0.00 C ATOM 129 C SER A 8 105.676 3.746 6.823 1.00 0.00 C ATOM 130 O SER A 8 105.265 2.700 6.383 1.00 0.00 O ATOM 131 CB SER A 8 107.817 4.683 5.999 1.00 0.00 C ATOM 132 OG SER A 8 108.197 3.327 5.807 1.00 0.00 O ATOM 0 H SER A 8 106.631 6.745 6.723 1.00 0.00 H new ATOM 0 HA SER A 8 105.974 4.640 4.890 1.00 0.00 H new ATOM 0 HB2 SER A 8 108.281 5.314 5.241 1.00 0.00 H new ATOM 0 HB3 SER A 8 108.169 5.038 6.968 1.00 0.00 H new ATOM 0 HG SER A 8 107.850 3.009 4.948 1.00 0.00 H new ATOM 138 N GLN A 9 105.606 4.022 8.084 1.00 0.00 N ATOM 139 CA GLN A 9 105.006 3.048 9.032 1.00 0.00 C ATOM 140 C GLN A 9 103.598 2.670 8.545 1.00 0.00 C ATOM 141 O GLN A 9 103.257 1.510 8.422 1.00 0.00 O ATOM 142 CB GLN A 9 104.941 3.723 10.404 1.00 0.00 C ATOM 143 CG GLN A 9 103.936 3.027 11.316 1.00 0.00 C ATOM 144 CD GLN A 9 104.377 1.583 11.564 1.00 0.00 C ATOM 145 OE1 GLN A 9 104.379 0.734 10.573 1.00 0.00 O flip ATOM 146 NE2 GLN A 9 104.723 1.223 12.671 1.00 0.00 N flip ATOM 0 H GLN A 9 105.940 4.887 8.508 1.00 0.00 H new ATOM 0 HA GLN A 9 105.600 2.136 9.095 1.00 0.00 H new ATOM 0 HB2 GLN A 9 105.928 3.707 10.867 1.00 0.00 H new ATOM 0 HB3 GLN A 9 104.662 4.770 10.284 1.00 0.00 H new ATOM 0 HG2 GLN A 9 103.859 3.561 12.263 1.00 0.00 H new ATOM 0 HG3 GLN A 9 102.946 3.042 10.860 1.00 0.00 H new ATOM 0 HE21 GLN A 9 104.722 1.886 13.446 1.00 0.00 H new ATOM 0 HE22 GLN A 9 105.015 0.258 12.825 1.00 0.00 H new ATOM 155 N TRP A 10 102.781 3.645 8.267 1.00 0.00 N ATOM 156 CA TRP A 10 101.400 3.355 7.793 1.00 0.00 C ATOM 157 C TRP A 10 101.461 2.661 6.430 1.00 0.00 C ATOM 158 O TRP A 10 100.644 1.822 6.101 1.00 0.00 O ATOM 159 CB TRP A 10 100.621 4.681 7.695 1.00 0.00 C ATOM 160 CG TRP A 10 99.720 4.688 6.497 1.00 0.00 C ATOM 161 CD1 TRP A 10 99.705 5.653 5.549 1.00 0.00 C ATOM 162 CD2 TRP A 10 98.707 3.714 6.105 1.00 0.00 C ATOM 163 NE1 TRP A 10 98.750 5.334 4.600 1.00 0.00 N ATOM 164 CE2 TRP A 10 98.110 4.148 4.898 1.00 0.00 C ATOM 165 CE3 TRP A 10 98.254 2.510 6.671 1.00 0.00 C ATOM 166 CZ2 TRP A 10 97.101 3.412 4.277 1.00 0.00 C ATOM 167 CZ3 TRP A 10 97.241 1.766 6.048 1.00 0.00 C ATOM 168 CH2 TRP A 10 96.667 2.216 4.855 1.00 0.00 C ATOM 0 H TRP A 10 103.011 4.635 8.348 1.00 0.00 H new ATOM 0 HA TRP A 10 100.891 2.692 8.493 1.00 0.00 H new ATOM 0 HB2 TRP A 10 100.030 4.828 8.599 1.00 0.00 H new ATOM 0 HB3 TRP A 10 101.321 5.514 7.633 1.00 0.00 H new ATOM 0 HD1 TRP A 10 100.336 6.530 5.535 1.00 0.00 H new ATOM 0 HE1 TRP A 10 98.544 5.905 3.781 1.00 0.00 H new ATOM 0 HE3 TRP A 10 98.689 2.155 7.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 96.659 3.764 3.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 96.903 0.841 6.492 1.00 0.00 H new ATOM 0 HH2 TRP A 10 95.888 1.639 4.380 1.00 0.00 H new ATOM 179 N PHE A 11 102.422 3.007 5.635 1.00 0.00 N ATOM 180 CA PHE A 11 102.528 2.383 4.286 1.00 0.00 C ATOM 181 C PHE A 11 103.179 1.005 4.376 1.00 0.00 C ATOM 182 O PHE A 11 103.182 0.258 3.426 1.00 0.00 O ATOM 183 CB PHE A 11 103.328 3.290 3.345 1.00 0.00 C ATOM 184 CG PHE A 11 102.423 3.719 2.218 1.00 0.00 C ATOM 185 CD1 PHE A 11 101.573 4.814 2.391 1.00 0.00 C ATOM 186 CD2 PHE A 11 102.415 3.007 1.013 1.00 0.00 C ATOM 187 CE1 PHE A 11 100.713 5.202 1.362 1.00 0.00 C ATOM 188 CE2 PHE A 11 101.557 3.396 -0.019 1.00 0.00 C ATOM 189 CZ PHE A 11 100.704 4.493 0.155 1.00 0.00 C ATOM 0 H PHE A 11 103.142 3.695 5.855 1.00 0.00 H new ATOM 0 HA PHE A 11 101.522 2.259 3.885 1.00 0.00 H new ATOM 0 HB2 PHE A 11 103.702 4.160 3.884 1.00 0.00 H new ATOM 0 HB3 PHE A 11 104.196 2.760 2.954 1.00 0.00 H new ATOM 0 HD1 PHE A 11 101.581 5.361 3.322 1.00 0.00 H new ATOM 0 HD2 PHE A 11 103.070 2.159 0.881 1.00 0.00 H new ATOM 0 HE1 PHE A 11 100.055 6.048 1.497 1.00 0.00 H new ATOM 0 HE2 PHE A 11 101.552 2.851 -0.951 1.00 0.00 H new ATOM 0 HZ PHE A 11 100.039 4.792 -0.642 1.00 0.00 H new ATOM 199 N LYS A 12 103.710 0.646 5.504 1.00 0.00 N ATOM 200 CA LYS A 12 104.317 -0.703 5.623 1.00 0.00 C ATOM 201 C LYS A 12 103.199 -1.652 6.044 1.00 0.00 C ATOM 202 O LYS A 12 103.163 -2.804 5.690 1.00 0.00 O ATOM 203 CB LYS A 12 105.474 -0.688 6.642 1.00 0.00 C ATOM 204 CG LYS A 12 104.956 -0.817 8.087 1.00 0.00 C ATOM 205 CD LYS A 12 104.949 -2.288 8.529 1.00 0.00 C ATOM 206 CE LYS A 12 104.987 -2.365 10.058 1.00 0.00 C ATOM 207 NZ LYS A 12 106.223 -1.700 10.559 1.00 0.00 N ATOM 0 H LYS A 12 103.751 1.223 6.344 1.00 0.00 H new ATOM 0 HA LYS A 12 104.749 -1.031 4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 12 106.161 -1.506 6.426 1.00 0.00 H new ATOM 0 HB3 LYS A 12 106.039 0.238 6.538 1.00 0.00 H new ATOM 0 HG2 LYS A 12 105.585 -0.233 8.758 1.00 0.00 H new ATOM 0 HG3 LYS A 12 103.949 -0.406 8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 12 104.057 -2.787 8.152 1.00 0.00 H new ATOM 0 HD3 LYS A 12 105.808 -2.809 8.107 1.00 0.00 H new ATOM 0 HE2 LYS A 12 104.105 -1.882 10.479 1.00 0.00 H new ATOM 0 HE3 LYS A 12 104.965 -3.406 10.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 106.515 -2.140 11.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 106.983 -1.806 9.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 106.035 -0.689 10.715 1.00 0.00 H new ATOM 221 N ILE A 13 102.249 -1.149 6.754 1.00 0.00 N ATOM 222 CA ILE A 13 101.102 -2.004 7.152 1.00 0.00 C ATOM 223 C ILE A 13 100.163 -2.068 5.953 1.00 0.00 C ATOM 224 O ILE A 13 99.335 -2.949 5.830 1.00 0.00 O ATOM 225 CB ILE A 13 100.378 -1.405 8.371 1.00 0.00 C ATOM 226 CG1 ILE A 13 100.355 0.127 8.264 1.00 0.00 C ATOM 227 CG2 ILE A 13 101.106 -1.825 9.654 1.00 0.00 C ATOM 228 CD1 ILE A 13 100.102 0.762 9.640 1.00 0.00 C ATOM 0 H ILE A 13 102.210 -0.183 7.080 1.00 0.00 H new ATOM 0 HA ILE A 13 101.441 -3.000 7.436 1.00 0.00 H new ATOM 0 HB ILE A 13 99.353 -1.774 8.399 1.00 0.00 H new ATOM 0 HG12 ILE A 13 101.304 0.483 7.862 1.00 0.00 H new ATOM 0 HG13 ILE A 13 99.577 0.436 7.566 1.00 0.00 H new ATOM 0 HG21 ILE A 13 100.594 -1.401 10.518 1.00 0.00 H new ATOM 0 HG22 ILE A 13 101.109 -2.912 9.731 1.00 0.00 H new ATOM 0 HG23 ILE A 13 102.133 -1.460 9.626 1.00 0.00 H new ATOM 0 HD11 ILE A 13 100.089 1.848 9.543 1.00 0.00 H new ATOM 0 HD12 ILE A 13 99.142 0.421 10.027 1.00 0.00 H new ATOM 0 HD13 ILE A 13 100.895 0.468 10.328 1.00 0.00 H new ATOM 240 N GLN A 14 100.305 -1.123 5.063 1.00 0.00 N ATOM 241 CA GLN A 14 99.451 -1.080 3.847 1.00 0.00 C ATOM 242 C GLN A 14 100.239 -1.604 2.622 1.00 0.00 C ATOM 243 O GLN A 14 99.675 -1.817 1.568 1.00 0.00 O ATOM 244 CB GLN A 14 99.027 0.387 3.614 1.00 0.00 C ATOM 245 CG GLN A 14 99.598 0.908 2.300 1.00 0.00 C ATOM 246 CD GLN A 14 99.253 2.390 2.142 1.00 0.00 C ATOM 247 OE1 GLN A 14 99.597 3.199 2.980 1.00 0.00 O ATOM 248 NE2 GLN A 14 98.582 2.783 1.094 1.00 0.00 N ATOM 0 H GLN A 14 100.988 -0.369 5.131 1.00 0.00 H new ATOM 0 HA GLN A 14 98.573 -1.712 3.982 1.00 0.00 H new ATOM 0 HB2 GLN A 14 97.939 0.459 3.598 1.00 0.00 H new ATOM 0 HB3 GLN A 14 99.375 1.007 4.440 1.00 0.00 H new ATOM 0 HG2 GLN A 14 100.679 0.772 2.283 1.00 0.00 H new ATOM 0 HG3 GLN A 14 99.192 0.339 1.464 1.00 0.00 H new ATOM 0 HE21 GLN A 14 98.293 2.104 0.390 1.00 0.00 H new ATOM 0 HE22 GLN A 14 98.347 3.769 0.979 1.00 0.00 H new ATOM 257 N HIS A 15 101.541 -1.756 2.727 1.00 0.00 N ATOM 258 CA HIS A 15 102.339 -2.188 1.532 1.00 0.00 C ATOM 259 C HIS A 15 103.610 -2.962 1.938 1.00 0.00 C ATOM 260 O HIS A 15 104.567 -3.008 1.189 1.00 0.00 O ATOM 261 CB HIS A 15 102.770 -0.916 0.783 1.00 0.00 C ATOM 262 CG HIS A 15 102.115 -0.842 -0.569 1.00 0.00 C ATOM 263 ND1 HIS A 15 100.818 -0.607 -0.948 1.00 0.00 N flip ATOM 264 CD2 HIS A 15 102.832 -0.999 -1.746 1.00 0.00 C flip ATOM 265 CE1 HIS A 15 100.731 -0.616 -2.335 1.00 0.00 C flip ATOM 266 NE2 HIS A 15 101.970 -0.856 -2.768 1.00 0.00 N flip ATOM 0 H HIS A 15 102.080 -1.601 3.579 1.00 0.00 H new ATOM 0 HA HIS A 15 101.725 -2.846 0.918 1.00 0.00 H new ATOM 0 HB2 HIS A 15 102.504 -0.036 1.369 1.00 0.00 H new ATOM 0 HB3 HIS A 15 103.854 -0.907 0.668 1.00 0.00 H new ATOM 0 HD1 HIS A 15 100.038 -0.450 -0.310 1.00 0.00 H new ATOM 0 HD2 HIS A 15 103.890 -1.200 -1.827 1.00 0.00 H new ATOM 0 HE1 HIS A 15 99.847 -0.461 -2.936 1.00 0.00 H new ATOM 275 N MET A 16 103.647 -3.565 3.092 1.00 0.00 N ATOM 276 CA MET A 16 104.886 -4.315 3.495 1.00 0.00 C ATOM 277 C MET A 16 104.724 -5.805 3.196 1.00 0.00 C ATOM 278 O MET A 16 103.761 -6.428 3.596 1.00 0.00 O ATOM 279 CB MET A 16 105.165 -4.131 4.998 1.00 0.00 C ATOM 280 CG MET A 16 104.239 -5.029 5.831 1.00 0.00 C ATOM 281 SD MET A 16 104.962 -6.685 5.974 1.00 0.00 S ATOM 282 CE MET A 16 105.570 -6.532 7.672 1.00 0.00 C ATOM 0 H MET A 16 102.887 -3.576 3.772 1.00 0.00 H new ATOM 0 HA MET A 16 105.723 -3.916 2.922 1.00 0.00 H new ATOM 0 HB2 MET A 16 106.206 -4.373 5.213 1.00 0.00 H new ATOM 0 HB3 MET A 16 105.016 -3.088 5.276 1.00 0.00 H new ATOM 0 HG2 MET A 16 104.093 -4.598 6.822 1.00 0.00 H new ATOM 0 HG3 MET A 16 103.257 -5.090 5.362 1.00 0.00 H new ATOM 0 HE1 MET A 16 106.060 -7.460 7.968 1.00 0.00 H new ATOM 0 HE2 MET A 16 106.283 -5.710 7.730 1.00 0.00 H new ATOM 0 HE3 MET A 16 104.733 -6.334 8.342 1.00 0.00 H new ATOM 292 N GLN A 17 105.673 -6.386 2.509 1.00 0.00 N ATOM 293 CA GLN A 17 105.589 -7.839 2.207 1.00 0.00 C ATOM 294 C GLN A 17 106.597 -8.647 3.056 1.00 0.00 C ATOM 295 O GLN A 17 106.520 -9.859 3.091 1.00 0.00 O ATOM 296 CB GLN A 17 105.864 -8.086 0.723 1.00 0.00 C ATOM 297 CG GLN A 17 105.330 -9.469 0.338 1.00 0.00 C ATOM 298 CD GLN A 17 106.154 -10.039 -0.817 1.00 0.00 C ATOM 299 OE1 GLN A 17 106.389 -9.298 -1.866 1.00 0.00 O flip ATOM 300 NE2 GLN A 17 106.588 -11.173 -0.766 1.00 0.00 N flip ATOM 0 H GLN A 17 106.501 -5.914 2.146 1.00 0.00 H new ATOM 0 HA GLN A 17 104.581 -8.172 2.454 1.00 0.00 H new ATOM 0 HB2 GLN A 17 105.385 -7.316 0.118 1.00 0.00 H new ATOM 0 HB3 GLN A 17 106.934 -8.027 0.524 1.00 0.00 H new ATOM 0 HG2 GLN A 17 105.378 -10.139 1.196 1.00 0.00 H new ATOM 0 HG3 GLN A 17 104.282 -9.396 0.048 1.00 0.00 H new ATOM 0 HE21 GLN A 17 106.405 -11.753 0.053 1.00 0.00 H new ATOM 0 HE22 GLN A 17 107.135 -11.545 -1.542 1.00 0.00 H new ATOM 309 N PRO A 18 107.533 -8.020 3.750 1.00 0.00 N ATOM 310 CA PRO A 18 108.510 -8.772 4.582 1.00 0.00 C ATOM 311 C PRO A 18 107.828 -9.907 5.350 1.00 0.00 C ATOM 312 O PRO A 18 108.434 -10.915 5.653 1.00 0.00 O ATOM 313 CB PRO A 18 109.059 -7.713 5.539 1.00 0.00 C ATOM 314 CG PRO A 18 108.970 -6.429 4.782 1.00 0.00 C ATOM 315 CD PRO A 18 107.773 -6.566 3.833 1.00 0.00 C ATOM 0 HA PRO A 18 109.288 -9.250 3.987 1.00 0.00 H new ATOM 0 HB2 PRO A 18 108.475 -7.671 6.459 1.00 0.00 H new ATOM 0 HB3 PRO A 18 110.088 -7.933 5.824 1.00 0.00 H new ATOM 0 HG2 PRO A 18 108.833 -5.587 5.461 1.00 0.00 H new ATOM 0 HG3 PRO A 18 109.888 -6.243 4.224 1.00 0.00 H new ATOM 0 HD2 PRO A 18 106.899 -6.041 4.218 1.00 0.00 H new ATOM 0 HD3 PRO A 18 107.993 -6.143 2.853 1.00 0.00 H new ATOM 323 N SER A 19 106.564 -9.747 5.652 1.00 0.00 N ATOM 324 CA SER A 19 105.820 -10.811 6.389 1.00 0.00 C ATOM 325 C SER A 19 104.551 -10.217 7.011 1.00 0.00 C ATOM 326 O SER A 19 104.425 -10.135 8.217 1.00 0.00 O ATOM 327 CB SER A 19 106.705 -11.392 7.498 1.00 0.00 C ATOM 328 OG SER A 19 105.886 -11.853 8.564 1.00 0.00 O ATOM 0 H SER A 19 106.014 -8.921 5.418 1.00 0.00 H new ATOM 0 HA SER A 19 105.548 -11.603 5.691 1.00 0.00 H new ATOM 0 HB2 SER A 19 107.306 -12.212 7.106 1.00 0.00 H new ATOM 0 HB3 SER A 19 107.399 -10.633 7.860 1.00 0.00 H new ATOM 0 HG SER A 19 105.380 -11.101 8.937 1.00 0.00 H new ATOM 334 N PRO A 20 103.609 -9.815 6.196 1.00 0.00 N ATOM 335 CA PRO A 20 102.330 -9.237 6.681 1.00 0.00 C ATOM 336 C PRO A 20 101.359 -10.340 7.112 1.00 0.00 C ATOM 337 O PRO A 20 101.758 -11.460 7.363 1.00 0.00 O ATOM 338 CB PRO A 20 101.796 -8.470 5.464 1.00 0.00 C ATOM 339 CG PRO A 20 102.361 -9.173 4.272 1.00 0.00 C ATOM 340 CD PRO A 20 103.659 -9.867 4.726 1.00 0.00 C ATOM 0 HA PRO A 20 102.456 -8.600 7.557 1.00 0.00 H new ATOM 0 HB2 PRO A 20 100.706 -8.476 5.443 1.00 0.00 H new ATOM 0 HB3 PRO A 20 102.109 -7.426 5.489 1.00 0.00 H new ATOM 0 HG2 PRO A 20 101.651 -9.902 3.883 1.00 0.00 H new ATOM 0 HG3 PRO A 20 102.564 -8.465 3.468 1.00 0.00 H new ATOM 0 HD2 PRO A 20 103.706 -10.895 4.366 1.00 0.00 H new ATOM 0 HD3 PRO A 20 104.540 -9.353 4.340 1.00 0.00 H new ATOM 348 N GLN A 21 100.094 -10.041 7.191 1.00 0.00 N ATOM 349 CA GLN A 21 99.102 -11.079 7.597 1.00 0.00 C ATOM 350 C GLN A 21 98.250 -11.439 6.382 1.00 0.00 C ATOM 351 O GLN A 21 97.041 -11.331 6.402 1.00 0.00 O ATOM 352 CB GLN A 21 98.210 -10.524 8.712 1.00 0.00 C ATOM 353 CG GLN A 21 98.945 -10.619 10.051 1.00 0.00 C ATOM 354 CD GLN A 21 98.984 -12.078 10.510 1.00 0.00 C ATOM 355 OE1 GLN A 21 99.992 -12.742 10.375 1.00 0.00 O ATOM 356 NE2 GLN A 21 97.921 -12.608 11.051 1.00 0.00 N ATOM 0 H GLN A 21 99.701 -9.121 6.992 1.00 0.00 H new ATOM 0 HA GLN A 21 99.616 -11.967 7.964 1.00 0.00 H new ATOM 0 HB2 GLN A 21 97.950 -9.487 8.501 1.00 0.00 H new ATOM 0 HB3 GLN A 21 97.276 -11.084 8.757 1.00 0.00 H new ATOM 0 HG2 GLN A 21 99.959 -10.231 9.950 1.00 0.00 H new ATOM 0 HG3 GLN A 21 98.442 -10.005 10.798 1.00 0.00 H new ATOM 0 HE21 GLN A 21 97.074 -12.050 11.164 1.00 0.00 H new ATOM 0 HE22 GLN A 21 97.937 -13.580 11.360 1.00 0.00 H new ATOM 365 N ALA A 22 98.880 -11.848 5.314 1.00 0.00 N ATOM 366 CA ALA A 22 98.119 -12.195 4.083 1.00 0.00 C ATOM 367 C ALA A 22 97.522 -10.921 3.511 1.00 0.00 C ATOM 368 O ALA A 22 96.864 -10.175 4.209 1.00 0.00 O ATOM 369 CB ALA A 22 96.979 -13.162 4.414 1.00 0.00 C ATOM 0 H ALA A 22 99.892 -11.957 5.242 1.00 0.00 H new ATOM 0 HA ALA A 22 98.791 -12.668 3.367 1.00 0.00 H new ATOM 0 HB1 ALA A 22 96.432 -13.406 3.503 1.00 0.00 H new ATOM 0 HB2 ALA A 22 97.390 -14.075 4.846 1.00 0.00 H new ATOM 0 HB3 ALA A 22 96.302 -12.695 5.129 1.00 0.00 H new ATOM 375 N CYS A 23 97.721 -10.660 2.253 1.00 0.00 N ATOM 376 CA CYS A 23 97.127 -9.430 1.680 1.00 0.00 C ATOM 377 C CYS A 23 95.677 -9.357 2.110 1.00 0.00 C ATOM 378 O CYS A 23 95.124 -8.298 2.293 1.00 0.00 O ATOM 379 CB CYS A 23 97.180 -9.478 0.174 1.00 0.00 C ATOM 380 SG CYS A 23 98.885 -9.768 -0.353 1.00 0.00 S ATOM 0 H CYS A 23 98.261 -11.236 1.607 1.00 0.00 H new ATOM 0 HA CYS A 23 97.684 -8.561 2.030 1.00 0.00 H new ATOM 0 HB2 CYS A 23 96.532 -10.271 -0.199 1.00 0.00 H new ATOM 0 HB3 CYS A 23 96.812 -8.541 -0.245 1.00 0.00 H new ATOM 385 N ASN A 24 95.054 -10.480 2.281 1.00 0.00 N ATOM 386 CA ASN A 24 93.639 -10.449 2.720 1.00 0.00 C ATOM 387 C ASN A 24 93.551 -9.594 3.990 1.00 0.00 C ATOM 388 O ASN A 24 92.790 -8.650 4.067 1.00 0.00 O ATOM 389 CB ASN A 24 93.142 -11.869 3.020 1.00 0.00 C ATOM 390 CG ASN A 24 93.757 -12.862 2.031 1.00 0.00 C ATOM 391 OD1 ASN A 24 95.052 -13.008 1.987 1.00 0.00 O flip ATOM 392 ND2 ASN A 24 93.047 -13.519 1.296 1.00 0.00 N flip ATOM 0 H ASN A 24 95.455 -11.407 2.139 1.00 0.00 H new ATOM 0 HA ASN A 24 93.017 -10.027 1.931 1.00 0.00 H new ATOM 0 HB2 ASN A 24 93.408 -12.148 4.040 1.00 0.00 H new ATOM 0 HB3 ASN A 24 92.055 -11.904 2.953 1.00 0.00 H new ATOM 0 HD21 ASN A 24 92.034 -13.405 1.330 1.00 0.00 H new ATOM 0 HD22 ASN A 24 93.464 -14.184 0.645 1.00 0.00 H new ATOM 399 N SER A 25 94.339 -9.911 4.983 1.00 0.00 N ATOM 400 CA SER A 25 94.303 -9.121 6.248 1.00 0.00 C ATOM 401 C SER A 25 95.135 -7.842 6.092 1.00 0.00 C ATOM 402 O SER A 25 94.820 -6.806 6.648 1.00 0.00 O ATOM 403 CB SER A 25 94.864 -9.967 7.393 1.00 0.00 C ATOM 404 OG SER A 25 94.080 -9.755 8.560 1.00 0.00 O ATOM 0 H SER A 25 95.006 -10.683 4.973 1.00 0.00 H new ATOM 0 HA SER A 25 93.272 -8.846 6.471 1.00 0.00 H new ATOM 0 HB2 SER A 25 94.853 -11.022 7.120 1.00 0.00 H new ATOM 0 HB3 SER A 25 95.903 -9.698 7.585 1.00 0.00 H new ATOM 0 HG SER A 25 94.435 -10.297 9.296 1.00 0.00 H new ATOM 410 N ALA A 26 96.187 -7.899 5.329 1.00 0.00 N ATOM 411 CA ALA A 26 97.019 -6.682 5.133 1.00 0.00 C ATOM 412 C ALA A 26 96.134 -5.607 4.530 1.00 0.00 C ATOM 413 O ALA A 26 96.235 -4.437 4.842 1.00 0.00 O ATOM 414 CB ALA A 26 98.157 -7.004 4.176 1.00 0.00 C ATOM 0 H ALA A 26 96.507 -8.732 4.834 1.00 0.00 H new ATOM 0 HA ALA A 26 97.437 -6.342 6.080 1.00 0.00 H new ATOM 0 HB1 ALA A 26 98.771 -6.115 4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 26 98.770 -7.803 4.595 1.00 0.00 H new ATOM 0 HB3 ALA A 26 97.747 -7.325 3.218 1.00 0.00 H new ATOM 420 N MET A 27 95.258 -6.018 3.670 1.00 0.00 N ATOM 421 CA MET A 27 94.333 -5.068 3.024 1.00 0.00 C ATOM 422 C MET A 27 93.236 -4.719 4.026 1.00 0.00 C ATOM 423 O MET A 27 92.652 -3.654 3.980 1.00 0.00 O ATOM 424 CB MET A 27 93.735 -5.745 1.789 1.00 0.00 C ATOM 425 CG MET A 27 92.806 -4.792 1.024 1.00 0.00 C ATOM 426 SD MET A 27 93.329 -3.075 1.214 1.00 0.00 S ATOM 427 CE MET A 27 91.714 -2.312 0.923 1.00 0.00 C ATOM 0 H MET A 27 95.143 -6.990 3.383 1.00 0.00 H new ATOM 0 HA MET A 27 94.846 -4.156 2.718 1.00 0.00 H new ATOM 0 HB2 MET A 27 94.537 -6.080 1.131 1.00 0.00 H new ATOM 0 HB3 MET A 27 93.179 -6.633 2.092 1.00 0.00 H new ATOM 0 HG2 MET A 27 92.799 -5.058 -0.033 1.00 0.00 H new ATOM 0 HG3 MET A 27 91.785 -4.906 1.388 1.00 0.00 H new ATOM 0 HE1 MET A 27 91.832 -1.232 0.835 1.00 0.00 H new ATOM 0 HE2 MET A 27 91.286 -2.706 0.001 1.00 0.00 H new ATOM 0 HE3 MET A 27 91.049 -2.538 1.757 1.00 0.00 H new ATOM 437 N LYS A 28 92.958 -5.611 4.942 1.00 0.00 N ATOM 438 CA LYS A 28 91.902 -5.321 5.956 1.00 0.00 C ATOM 439 C LYS A 28 92.299 -4.084 6.766 1.00 0.00 C ATOM 440 O LYS A 28 91.458 -3.316 7.185 1.00 0.00 O ATOM 441 CB LYS A 28 91.735 -6.509 6.914 1.00 0.00 C ATOM 442 CG LYS A 28 90.886 -7.615 6.269 1.00 0.00 C ATOM 443 CD LYS A 28 89.485 -7.083 5.908 1.00 0.00 C ATOM 444 CE LYS A 28 89.405 -6.734 4.410 1.00 0.00 C ATOM 445 NZ LYS A 28 88.450 -7.660 3.739 1.00 0.00 N ATOM 0 H LYS A 28 93.412 -6.520 5.031 1.00 0.00 H new ATOM 0 HA LYS A 28 90.960 -5.145 5.436 1.00 0.00 H new ATOM 0 HB2 LYS A 28 92.714 -6.906 7.182 1.00 0.00 H new ATOM 0 HB3 LYS A 28 91.263 -6.174 7.837 1.00 0.00 H new ATOM 0 HG2 LYS A 28 91.382 -7.986 5.372 1.00 0.00 H new ATOM 0 HG3 LYS A 28 90.795 -8.458 6.954 1.00 0.00 H new ATOM 0 HD2 LYS A 28 88.732 -7.832 6.153 1.00 0.00 H new ATOM 0 HD3 LYS A 28 89.261 -6.199 6.505 1.00 0.00 H new ATOM 0 HE2 LYS A 28 89.079 -5.702 4.282 1.00 0.00 H new ATOM 0 HE3 LYS A 28 90.391 -6.816 3.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 88.857 -7.986 2.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 88.270 -8.479 4.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 87.556 -7.162 3.554 1.00 0.00 H new ATOM 459 N ASN A 29 93.567 -3.874 6.992 1.00 0.00 N ATOM 460 CA ASN A 29 93.973 -2.670 7.776 1.00 0.00 C ATOM 461 C ASN A 29 93.687 -1.426 6.936 1.00 0.00 C ATOM 462 O ASN A 29 93.329 -0.374 7.436 1.00 0.00 O ATOM 463 CB ASN A 29 95.468 -2.743 8.094 1.00 0.00 C ATOM 464 CG ASN A 29 95.858 -1.565 8.988 1.00 0.00 C ATOM 465 OD1 ASN A 29 96.509 -0.640 8.545 1.00 0.00 O ATOM 466 ND2 ASN A 29 95.485 -1.560 10.239 1.00 0.00 N ATOM 0 H ASN A 29 94.330 -4.472 6.674 1.00 0.00 H new ATOM 0 HA ASN A 29 93.414 -2.627 8.711 1.00 0.00 H new ATOM 0 HB2 ASN A 29 95.699 -3.684 8.593 1.00 0.00 H new ATOM 0 HB3 ASN A 29 96.048 -2.721 7.172 1.00 0.00 H new ATOM 0 HD21 ASN A 29 95.740 -0.780 10.844 1.00 0.00 H new ATOM 0 HD22 ASN A 29 94.938 -2.337 10.611 1.00 0.00 H new ATOM 473 N ILE A 30 93.838 -1.550 5.655 1.00 0.00 N ATOM 474 CA ILE A 30 93.584 -0.401 4.751 1.00 0.00 C ATOM 475 C ILE A 30 92.073 -0.205 4.593 1.00 0.00 C ATOM 476 O ILE A 30 91.594 0.900 4.443 1.00 0.00 O ATOM 477 CB ILE A 30 94.220 -0.712 3.395 1.00 0.00 C ATOM 478 CG1 ILE A 30 95.562 -1.418 3.637 1.00 0.00 C ATOM 479 CG2 ILE A 30 94.435 0.578 2.581 1.00 0.00 C ATOM 480 CD1 ILE A 30 96.323 -1.549 2.319 1.00 0.00 C ATOM 0 H ILE A 30 94.130 -2.408 5.188 1.00 0.00 H new ATOM 0 HA ILE A 30 94.014 0.513 5.160 1.00 0.00 H new ATOM 0 HB ILE A 30 93.555 -1.358 2.822 1.00 0.00 H new ATOM 0 HG12 ILE A 30 96.156 -0.853 4.356 1.00 0.00 H new ATOM 0 HG13 ILE A 30 95.392 -2.404 4.069 1.00 0.00 H new ATOM 0 HG21 ILE A 30 94.888 0.331 1.621 1.00 0.00 H new ATOM 0 HG22 ILE A 30 93.475 1.067 2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 30 95.094 1.250 3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 30 97.274 -2.051 2.496 1.00 0.00 H new ATOM 0 HD12 ILE A 30 95.731 -2.132 1.614 1.00 0.00 H new ATOM 0 HD13 ILE A 30 96.507 -0.558 1.905 1.00 0.00 H new ATOM 492 N ASN A 31 91.319 -1.271 4.638 1.00 0.00 N ATOM 493 CA ASN A 31 89.839 -1.146 4.502 1.00 0.00 C ATOM 494 C ASN A 31 89.268 -0.605 5.811 1.00 0.00 C ATOM 495 O ASN A 31 88.159 -0.113 5.864 1.00 0.00 O ATOM 496 CB ASN A 31 89.235 -2.526 4.183 1.00 0.00 C ATOM 497 CG ASN A 31 88.714 -3.198 5.460 1.00 0.00 C ATOM 498 OD1 ASN A 31 89.304 -3.074 6.513 1.00 0.00 O ATOM 499 ND2 ASN A 31 87.622 -3.911 5.406 1.00 0.00 N ATOM 0 H ASN A 31 91.664 -2.223 4.763 1.00 0.00 H new ATOM 0 HA ASN A 31 89.592 -0.461 3.691 1.00 0.00 H new ATOM 0 HB2 ASN A 31 88.421 -2.415 3.466 1.00 0.00 H new ATOM 0 HB3 ASN A 31 89.989 -3.159 3.715 1.00 0.00 H new ATOM 0 HD21 ASN A 31 87.266 -4.363 6.248 1.00 0.00 H new ATOM 0 HD22 ASN A 31 87.125 -4.016 4.522 1.00 0.00 H new ATOM 506 N LYS A 32 90.022 -0.681 6.871 1.00 0.00 N ATOM 507 CA LYS A 32 89.518 -0.165 8.169 1.00 0.00 C ATOM 508 C LYS A 32 89.747 1.345 8.217 1.00 0.00 C ATOM 509 O LYS A 32 88.952 2.087 8.759 1.00 0.00 O ATOM 510 CB LYS A 32 90.240 -0.882 9.328 1.00 0.00 C ATOM 511 CG LYS A 32 91.550 -0.167 9.703 1.00 0.00 C ATOM 512 CD LYS A 32 91.300 0.807 10.860 1.00 0.00 C ATOM 513 CE LYS A 32 92.441 1.825 10.929 1.00 0.00 C ATOM 514 NZ LYS A 32 93.730 1.148 10.614 1.00 0.00 N ATOM 0 H LYS A 32 90.962 -1.077 6.893 1.00 0.00 H new ATOM 0 HA LYS A 32 88.451 -0.361 8.271 1.00 0.00 H new ATOM 0 HB2 LYS A 32 89.584 -0.922 10.198 1.00 0.00 H new ATOM 0 HB3 LYS A 32 90.455 -1.912 9.043 1.00 0.00 H new ATOM 0 HG2 LYS A 32 92.305 -0.899 9.989 1.00 0.00 H new ATOM 0 HG3 LYS A 32 91.940 0.372 8.840 1.00 0.00 H new ATOM 0 HD2 LYS A 32 90.349 1.320 10.718 1.00 0.00 H new ATOM 0 HD3 LYS A 32 91.229 0.260 11.800 1.00 0.00 H new ATOM 0 HE2 LYS A 32 92.262 2.636 10.223 1.00 0.00 H new ATOM 0 HE3 LYS A 32 92.485 2.271 11.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 94.520 1.718 10.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 93.747 0.208 11.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 93.825 1.044 9.584 1.00 0.00 H new ATOM 528 N HIS A 33 90.827 1.808 7.645 1.00 0.00 N ATOM 529 CA HIS A 33 91.098 3.273 7.653 1.00 0.00 C ATOM 530 C HIS A 33 90.442 3.928 6.426 1.00 0.00 C ATOM 531 O HIS A 33 90.186 5.116 6.416 1.00 0.00 O ATOM 532 CB HIS A 33 92.619 3.503 7.656 1.00 0.00 C ATOM 533 CG HIS A 33 93.048 4.218 6.404 1.00 0.00 C ATOM 534 ND1 HIS A 33 92.975 5.598 6.273 1.00 0.00 N ATOM 535 CD2 HIS A 33 93.564 3.755 5.222 1.00 0.00 C ATOM 536 CE1 HIS A 33 93.438 5.913 5.049 1.00 0.00 C ATOM 537 NE2 HIS A 33 93.809 4.826 4.371 1.00 0.00 N ATOM 0 H HIS A 33 91.529 1.237 7.175 1.00 0.00 H new ATOM 0 HA HIS A 33 90.673 3.728 8.548 1.00 0.00 H new ATOM 0 HB2 HIS A 33 92.902 4.088 8.531 1.00 0.00 H new ATOM 0 HB3 HIS A 33 93.137 2.547 7.731 1.00 0.00 H new ATOM 0 HD2 HIS A 33 93.751 2.717 4.988 1.00 0.00 H new ATOM 0 HE1 HIS A 33 93.501 6.920 4.664 1.00 0.00 H new ATOM 0 HE2 HIS A 33 94.192 4.789 3.426 1.00 0.00 H new ATOM 546 N THR A 34 90.161 3.167 5.397 1.00 0.00 N ATOM 547 CA THR A 34 89.515 3.758 4.181 1.00 0.00 C ATOM 548 C THR A 34 88.015 3.466 4.203 1.00 0.00 C ATOM 549 O THR A 34 87.263 3.986 3.402 1.00 0.00 O ATOM 550 CB THR A 34 90.108 3.138 2.910 1.00 0.00 C ATOM 551 OG1 THR A 34 89.996 1.725 2.981 1.00 0.00 O ATOM 552 CG2 THR A 34 91.580 3.527 2.764 1.00 0.00 C ATOM 0 H THR A 34 90.350 2.166 5.345 1.00 0.00 H new ATOM 0 HA THR A 34 89.693 4.833 4.184 1.00 0.00 H new ATOM 0 HB THR A 34 89.559 3.510 2.045 1.00 0.00 H new ATOM 0 HG1 THR A 34 90.849 1.344 3.277 1.00 0.00 H new ATOM 0 HG21 THR A 34 91.986 3.079 1.857 1.00 0.00 H new ATOM 0 HG22 THR A 34 91.665 4.612 2.703 1.00 0.00 H new ATOM 0 HG23 THR A 34 92.139 3.167 3.628 1.00 0.00 H new ATOM 560 N LYS A 35 87.571 2.628 5.098 1.00 0.00 N ATOM 561 CA LYS A 35 86.118 2.300 5.143 1.00 0.00 C ATOM 562 C LYS A 35 85.689 1.762 3.774 1.00 0.00 C ATOM 563 O LYS A 35 84.561 1.926 3.354 1.00 0.00 O ATOM 564 CB LYS A 35 85.316 3.562 5.474 1.00 0.00 C ATOM 565 CG LYS A 35 86.006 4.326 6.606 1.00 0.00 C ATOM 566 CD LYS A 35 86.168 3.408 7.820 1.00 0.00 C ATOM 567 CE LYS A 35 86.489 4.248 9.057 1.00 0.00 C ATOM 568 NZ LYS A 35 86.578 3.361 10.251 1.00 0.00 N ATOM 0 H LYS A 35 88.147 2.158 5.797 1.00 0.00 H new ATOM 0 HA LYS A 35 85.932 1.548 5.910 1.00 0.00 H new ATOM 0 HB2 LYS A 35 85.235 4.196 4.591 1.00 0.00 H new ATOM 0 HB3 LYS A 35 84.301 3.294 5.768 1.00 0.00 H new ATOM 0 HG2 LYS A 35 86.981 4.684 6.275 1.00 0.00 H new ATOM 0 HG3 LYS A 35 85.419 5.204 6.877 1.00 0.00 H new ATOM 0 HD2 LYS A 35 85.253 2.838 7.982 1.00 0.00 H new ATOM 0 HD3 LYS A 35 86.966 2.687 7.640 1.00 0.00 H new ATOM 0 HE2 LYS A 35 87.430 4.779 8.915 1.00 0.00 H new ATOM 0 HE3 LYS A 35 85.717 5.002 9.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 86.746 3.938 11.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 85.687 2.835 10.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 87.363 2.690 10.127 1.00 0.00 H new ATOM 582 N ARG A 36 86.592 1.128 3.075 1.00 0.00 N ATOM 583 CA ARG A 36 86.263 0.580 1.728 1.00 0.00 C ATOM 584 C ARG A 36 87.422 -0.309 1.269 1.00 0.00 C ATOM 585 O ARG A 36 88.554 -0.105 1.661 1.00 0.00 O ATOM 586 CB ARG A 36 86.068 1.747 0.751 1.00 0.00 C ATOM 587 CG ARG A 36 86.480 1.335 -0.667 1.00 0.00 C ATOM 588 CD ARG A 36 85.386 0.484 -1.309 1.00 0.00 C ATOM 589 NE ARG A 36 84.101 1.238 -1.308 1.00 0.00 N ATOM 590 CZ ARG A 36 82.986 0.628 -1.603 1.00 0.00 C ATOM 591 NH1 ARG A 36 82.996 -0.644 -1.898 1.00 0.00 N ATOM 592 NH2 ARG A 36 81.860 1.288 -1.603 1.00 0.00 N ATOM 0 H ARG A 36 87.551 0.965 3.382 1.00 0.00 H new ATOM 0 HA ARG A 36 85.347 -0.010 1.764 1.00 0.00 H new ATOM 0 HB2 ARG A 36 85.025 2.062 0.756 1.00 0.00 H new ATOM 0 HB3 ARG A 36 86.661 2.603 1.074 1.00 0.00 H new ATOM 0 HG2 ARG A 36 86.663 2.223 -1.273 1.00 0.00 H new ATOM 0 HG3 ARG A 36 87.414 0.774 -0.634 1.00 0.00 H new ATOM 0 HD2 ARG A 36 85.666 0.224 -2.330 1.00 0.00 H new ATOM 0 HD3 ARG A 36 85.271 -0.452 -0.762 1.00 0.00 H new ATOM 0 HE ARG A 36 84.093 2.231 -1.077 1.00 0.00 H new ATOM 0 HH11 ARG A 36 83.875 -1.161 -1.898 1.00 0.00 H new ATOM 0 HH12 ARG A 36 82.124 -1.121 -2.129 1.00 0.00 H new ATOM 0 HH21 ARG A 36 81.851 2.282 -1.372 1.00 0.00 H new ATOM 0 HH22 ARG A 36 80.989 0.810 -1.834 1.00 0.00 H new ATOM 606 N CYS A 37 87.168 -1.285 0.434 1.00 0.00 N ATOM 607 CA CYS A 37 88.278 -2.152 -0.034 1.00 0.00 C ATOM 608 C CYS A 37 88.867 -1.583 -1.325 1.00 0.00 C ATOM 609 O CYS A 37 88.333 -1.770 -2.400 1.00 0.00 O ATOM 610 CB CYS A 37 87.750 -3.562 -0.283 1.00 0.00 C ATOM 611 SG CYS A 37 88.119 -4.590 1.162 1.00 0.00 S ATOM 0 H CYS A 37 86.246 -1.513 0.062 1.00 0.00 H new ATOM 0 HA CYS A 37 89.057 -2.188 0.727 1.00 0.00 H new ATOM 0 HB2 CYS A 37 86.675 -3.536 -0.462 1.00 0.00 H new ATOM 0 HB3 CYS A 37 88.212 -3.986 -1.175 1.00 0.00 H new ATOM 616 N LYS A 38 89.963 -0.886 -1.208 1.00 0.00 N ATOM 617 CA LYS A 38 90.632 -0.283 -2.400 1.00 0.00 C ATOM 618 C LYS A 38 90.481 -1.183 -3.638 1.00 0.00 C ATOM 619 O LYS A 38 90.661 -0.732 -4.750 1.00 0.00 O ATOM 620 CB LYS A 38 92.125 -0.103 -2.095 1.00 0.00 C ATOM 621 CG LYS A 38 92.336 1.146 -1.229 1.00 0.00 C ATOM 622 CD LYS A 38 91.978 2.410 -2.028 1.00 0.00 C ATOM 623 CE LYS A 38 92.941 3.545 -1.666 1.00 0.00 C ATOM 624 NZ LYS A 38 93.260 3.481 -0.212 1.00 0.00 N ATOM 0 H LYS A 38 90.433 -0.705 -0.321 1.00 0.00 H new ATOM 0 HA LYS A 38 90.161 0.677 -2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 38 92.508 -0.983 -1.578 1.00 0.00 H new ATOM 0 HB3 LYS A 38 92.686 -0.010 -3.025 1.00 0.00 H new ATOM 0 HG2 LYS A 38 91.718 1.085 -0.333 1.00 0.00 H new ATOM 0 HG3 LYS A 38 93.373 1.197 -0.898 1.00 0.00 H new ATOM 0 HD2 LYS A 38 92.032 2.203 -3.097 1.00 0.00 H new ATOM 0 HD3 LYS A 38 90.952 2.709 -1.812 1.00 0.00 H new ATOM 0 HE2 LYS A 38 93.855 3.462 -2.254 1.00 0.00 H new ATOM 0 HE3 LYS A 38 92.492 4.508 -1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 93.305 4.445 0.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 92.520 2.943 0.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 94.178 3.011 -0.078 1.00 0.00 H new ATOM 638 N ASP A 39 90.161 -2.445 -3.464 1.00 0.00 N ATOM 639 CA ASP A 39 90.010 -3.348 -4.643 1.00 0.00 C ATOM 640 C ASP A 39 91.390 -3.841 -5.084 1.00 0.00 C ATOM 641 O ASP A 39 91.524 -4.899 -5.665 1.00 0.00 O ATOM 642 CB ASP A 39 89.333 -2.602 -5.803 1.00 0.00 C ATOM 643 CG ASP A 39 88.496 -3.583 -6.628 1.00 0.00 C ATOM 644 OD1 ASP A 39 88.992 -4.660 -6.915 1.00 0.00 O ATOM 645 OD2 ASP A 39 87.373 -3.239 -6.960 1.00 0.00 O ATOM 0 H ASP A 39 89.999 -2.884 -2.558 1.00 0.00 H new ATOM 0 HA ASP A 39 89.388 -4.198 -4.363 1.00 0.00 H new ATOM 0 HB2 ASP A 39 88.699 -1.805 -5.415 1.00 0.00 H new ATOM 0 HB3 ASP A 39 90.086 -2.131 -6.434 1.00 0.00 H new ATOM 650 N LEU A 40 92.418 -3.082 -4.812 1.00 0.00 N ATOM 651 CA LEU A 40 93.790 -3.506 -5.217 1.00 0.00 C ATOM 652 C LEU A 40 94.804 -2.980 -4.193 1.00 0.00 C ATOM 653 O LEU A 40 94.699 -1.870 -3.711 1.00 0.00 O ATOM 654 CB LEU A 40 94.107 -2.932 -6.613 1.00 0.00 C ATOM 655 CG LEU A 40 94.507 -4.043 -7.599 1.00 0.00 C ATOM 656 CD1 LEU A 40 95.782 -4.757 -7.123 1.00 0.00 C ATOM 657 CD2 LEU A 40 93.359 -5.050 -7.735 1.00 0.00 C ATOM 0 H LEU A 40 92.367 -2.186 -4.327 1.00 0.00 H new ATOM 0 HA LEU A 40 93.848 -4.594 -5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 40 93.236 -2.400 -6.996 1.00 0.00 H new ATOM 0 HB3 LEU A 40 94.915 -2.205 -6.534 1.00 0.00 H new ATOM 0 HG LEU A 40 94.709 -3.593 -8.571 1.00 0.00 H new ATOM 0 HD11 LEU A 40 96.048 -5.539 -7.834 1.00 0.00 H new ATOM 0 HD12 LEU A 40 96.598 -4.037 -7.053 1.00 0.00 H new ATOM 0 HD13 LEU A 40 95.606 -5.202 -6.144 1.00 0.00 H new ATOM 0 HD21 LEU A 40 93.645 -5.836 -8.434 1.00 0.00 H new ATOM 0 HD22 LEU A 40 93.144 -5.491 -6.761 1.00 0.00 H new ATOM 0 HD23 LEU A 40 92.470 -4.540 -8.106 1.00 0.00 H new ATOM 669 N ASN A 41 95.787 -3.774 -3.861 1.00 0.00 N ATOM 670 CA ASN A 41 96.814 -3.333 -2.874 1.00 0.00 C ATOM 671 C ASN A 41 98.130 -4.042 -3.178 1.00 0.00 C ATOM 672 O ASN A 41 98.201 -5.252 -3.214 1.00 0.00 O ATOM 673 CB ASN A 41 96.349 -3.685 -1.462 1.00 0.00 C ATOM 674 CG ASN A 41 95.026 -2.973 -1.180 1.00 0.00 C ATOM 675 OD1 ASN A 41 93.967 -3.539 -1.363 1.00 0.00 O ATOM 676 ND2 ASN A 41 95.041 -1.743 -0.745 1.00 0.00 N ATOM 0 H ASN A 41 95.923 -4.714 -4.233 1.00 0.00 H new ATOM 0 HA ASN A 41 96.956 -2.254 -2.943 1.00 0.00 H new ATOM 0 HB2 ASN A 41 96.224 -4.763 -1.365 1.00 0.00 H new ATOM 0 HB3 ASN A 41 97.101 -3.384 -0.732 1.00 0.00 H new ATOM 0 HD21 ASN A 41 94.164 -1.257 -0.559 1.00 0.00 H new ATOM 0 HD22 ASN A 41 95.930 -1.267 -0.591 1.00 0.00 H new ATOM 683 N THR A 42 99.171 -3.296 -3.411 1.00 0.00 N ATOM 684 CA THR A 42 100.485 -3.921 -3.728 1.00 0.00 C ATOM 685 C THR A 42 101.390 -3.865 -2.495 1.00 0.00 C ATOM 686 O THR A 42 101.265 -3.000 -1.658 1.00 0.00 O ATOM 687 CB THR A 42 101.135 -3.150 -4.890 1.00 0.00 C ATOM 688 OG1 THR A 42 100.552 -1.858 -4.973 1.00 0.00 O ATOM 689 CG2 THR A 42 100.907 -3.889 -6.215 1.00 0.00 C ATOM 0 H THR A 42 99.169 -2.276 -3.396 1.00 0.00 H new ATOM 0 HA THR A 42 100.342 -4.963 -4.014 1.00 0.00 H new ATOM 0 HB THR A 42 102.207 -3.070 -4.708 1.00 0.00 H new ATOM 0 HG1 THR A 42 101.154 -1.201 -4.565 1.00 0.00 H new ATOM 0 HG21 THR A 42 101.373 -3.331 -7.028 1.00 0.00 H new ATOM 0 HG22 THR A 42 101.349 -4.884 -6.158 1.00 0.00 H new ATOM 0 HG23 THR A 42 99.837 -3.978 -6.403 1.00 0.00 H new ATOM 697 N PHE A 43 102.301 -4.789 -2.385 1.00 0.00 N ATOM 698 CA PHE A 43 103.232 -4.806 -1.221 1.00 0.00 C ATOM 699 C PHE A 43 104.644 -5.079 -1.752 1.00 0.00 C ATOM 700 O PHE A 43 104.803 -5.632 -2.817 1.00 0.00 O ATOM 701 CB PHE A 43 102.813 -5.912 -0.243 1.00 0.00 C ATOM 702 CG PHE A 43 101.461 -5.585 0.360 1.00 0.00 C ATOM 703 CD1 PHE A 43 100.306 -5.651 -0.428 1.00 0.00 C ATOM 704 CD2 PHE A 43 101.360 -5.216 1.710 1.00 0.00 C ATOM 705 CE1 PHE A 43 99.059 -5.351 0.128 1.00 0.00 C ATOM 706 CE2 PHE A 43 100.112 -4.916 2.265 1.00 0.00 C ATOM 707 CZ PHE A 43 98.961 -4.982 1.474 1.00 0.00 C ATOM 0 H PHE A 43 102.443 -5.542 -3.058 1.00 0.00 H new ATOM 0 HA PHE A 43 103.207 -3.852 -0.694 1.00 0.00 H new ATOM 0 HB2 PHE A 43 102.767 -6.870 -0.762 1.00 0.00 H new ATOM 0 HB3 PHE A 43 103.558 -6.012 0.546 1.00 0.00 H new ATOM 0 HD1 PHE A 43 100.378 -5.934 -1.468 1.00 0.00 H new ATOM 0 HD2 PHE A 43 102.248 -5.164 2.322 1.00 0.00 H new ATOM 0 HE1 PHE A 43 98.170 -5.404 -0.483 1.00 0.00 H new ATOM 0 HE2 PHE A 43 100.037 -4.633 3.305 1.00 0.00 H new ATOM 0 HZ PHE A 43 97.997 -4.748 1.902 1.00 0.00 H new ATOM 717 N LEU A 44 105.667 -4.699 -1.031 1.00 0.00 N ATOM 718 CA LEU A 44 107.063 -4.945 -1.513 1.00 0.00 C ATOM 719 C LEU A 44 107.774 -5.837 -0.490 1.00 0.00 C ATOM 720 O LEU A 44 107.431 -5.825 0.675 1.00 0.00 O ATOM 721 CB LEU A 44 107.795 -3.603 -1.681 1.00 0.00 C ATOM 722 CG LEU A 44 106.991 -2.695 -2.624 1.00 0.00 C ATOM 723 CD1 LEU A 44 107.737 -1.373 -2.851 1.00 0.00 C ATOM 724 CD2 LEU A 44 106.805 -3.398 -3.966 1.00 0.00 C ATOM 0 H LEU A 44 105.598 -4.229 -0.129 1.00 0.00 H new ATOM 0 HA LEU A 44 107.055 -5.445 -2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 44 107.918 -3.120 -0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 44 108.794 -3.770 -2.084 1.00 0.00 H new ATOM 0 HG LEU A 44 106.021 -2.487 -2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 44 107.157 -0.738 -3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 44 107.874 -0.864 -1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 44 108.711 -1.577 -3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 44 106.235 -2.756 -4.637 1.00 0.00 H new ATOM 0 HD22 LEU A 44 107.780 -3.607 -4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 44 106.267 -4.334 -3.815 1.00 0.00 H new ATOM 736 N HIS A 45 108.743 -6.631 -0.899 1.00 0.00 N ATOM 737 CA HIS A 45 109.424 -7.532 0.095 1.00 0.00 C ATOM 738 C HIS A 45 110.853 -7.082 0.344 1.00 0.00 C ATOM 739 O HIS A 45 111.804 -7.750 -0.008 1.00 0.00 O ATOM 740 CB HIS A 45 109.432 -8.979 -0.410 1.00 0.00 C ATOM 741 CG HIS A 45 109.502 -9.923 0.761 1.00 0.00 C ATOM 742 ND1 HIS A 45 108.492 -10.834 1.039 1.00 0.00 N ATOM 743 CD2 HIS A 45 110.453 -10.108 1.734 1.00 0.00 C ATOM 744 CE1 HIS A 45 108.856 -11.520 2.138 1.00 0.00 C ATOM 745 NE2 HIS A 45 110.041 -11.115 2.599 1.00 0.00 N ATOM 0 H HIS A 45 109.086 -6.694 -1.857 1.00 0.00 H new ATOM 0 HA HIS A 45 108.866 -7.477 1.030 1.00 0.00 H new ATOM 0 HB2 HIS A 45 108.534 -9.175 -0.995 1.00 0.00 H new ATOM 0 HB3 HIS A 45 110.284 -9.139 -1.071 1.00 0.00 H new ATOM 0 HD2 HIS A 45 111.378 -9.556 1.815 1.00 0.00 H new ATOM 0 HE1 HIS A 45 108.263 -12.301 2.591 1.00 0.00 H new ATOM 0 HE2 HIS A 45 110.540 -11.470 3.415 1.00 0.00 H new ATOM 754 N GLU A 46 111.007 -5.964 0.974 1.00 0.00 N ATOM 755 CA GLU A 46 112.366 -5.468 1.284 1.00 0.00 C ATOM 756 C GLU A 46 112.272 -4.671 2.592 1.00 0.00 C ATOM 757 O GLU A 46 111.379 -3.868 2.755 1.00 0.00 O ATOM 758 CB GLU A 46 112.843 -4.588 0.124 1.00 0.00 C ATOM 759 CG GLU A 46 114.286 -4.142 0.363 1.00 0.00 C ATOM 760 CD GLU A 46 115.242 -5.291 0.034 1.00 0.00 C ATOM 761 OE1 GLU A 46 114.961 -6.021 -0.902 1.00 0.00 O ATOM 762 OE2 GLU A 46 116.239 -5.421 0.725 1.00 0.00 O ATOM 0 H GLU A 46 110.244 -5.366 1.291 1.00 0.00 H new ATOM 0 HA GLU A 46 113.082 -6.281 1.406 1.00 0.00 H new ATOM 0 HB2 GLU A 46 112.775 -5.140 -0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 46 112.196 -3.716 0.028 1.00 0.00 H new ATOM 0 HG2 GLU A 46 114.516 -3.276 -0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 46 114.415 -3.835 1.401 1.00 0.00 H new ATOM 769 N PRO A 47 113.145 -4.906 3.542 1.00 0.00 N ATOM 770 CA PRO A 47 113.083 -4.191 4.844 1.00 0.00 C ATOM 771 C PRO A 47 113.083 -2.673 4.668 1.00 0.00 C ATOM 772 O PRO A 47 113.931 -2.112 4.004 1.00 0.00 O ATOM 773 CB PRO A 47 114.324 -4.652 5.619 1.00 0.00 C ATOM 774 CG PRO A 47 115.166 -5.436 4.656 1.00 0.00 C ATOM 775 CD PRO A 47 114.266 -5.856 3.490 1.00 0.00 C ATOM 0 HA PRO A 47 112.158 -4.421 5.372 1.00 0.00 H new ATOM 0 HB2 PRO A 47 114.876 -3.797 6.009 1.00 0.00 H new ATOM 0 HB3 PRO A 47 114.041 -5.266 6.474 1.00 0.00 H new ATOM 0 HG2 PRO A 47 116.000 -4.833 4.298 1.00 0.00 H new ATOM 0 HG3 PRO A 47 115.593 -6.312 5.145 1.00 0.00 H new ATOM 0 HD2 PRO A 47 114.794 -5.798 2.538 1.00 0.00 H new ATOM 0 HD3 PRO A 47 113.923 -6.884 3.602 1.00 0.00 H new ATOM 783 N PHE A 48 112.126 -2.013 5.260 1.00 0.00 N ATOM 784 CA PHE A 48 112.033 -0.529 5.149 1.00 0.00 C ATOM 785 C PHE A 48 113.420 0.091 5.249 1.00 0.00 C ATOM 786 O PHE A 48 113.628 1.200 4.837 1.00 0.00 O ATOM 787 CB PHE A 48 111.129 -0.008 6.259 1.00 0.00 C ATOM 788 CG PHE A 48 110.074 -1.060 6.513 1.00 0.00 C ATOM 789 CD1 PHE A 48 109.344 -1.574 5.433 1.00 0.00 C ATOM 790 CD2 PHE A 48 109.846 -1.547 7.805 1.00 0.00 C ATOM 791 CE1 PHE A 48 108.385 -2.568 5.643 1.00 0.00 C ATOM 792 CE2 PHE A 48 108.888 -2.549 8.015 1.00 0.00 C ATOM 793 CZ PHE A 48 108.158 -3.058 6.933 1.00 0.00 C ATOM 0 H PHE A 48 111.394 -2.445 5.824 1.00 0.00 H new ATOM 0 HA PHE A 48 111.610 -0.255 4.182 1.00 0.00 H new ATOM 0 HB2 PHE A 48 111.705 0.185 7.164 1.00 0.00 H new ATOM 0 HB3 PHE A 48 110.668 0.936 5.967 1.00 0.00 H new ATOM 0 HD1 PHE A 48 109.523 -1.201 4.436 1.00 0.00 H new ATOM 0 HD2 PHE A 48 110.407 -1.152 8.639 1.00 0.00 H new ATOM 0 HE1 PHE A 48 107.819 -2.958 4.810 1.00 0.00 H new ATOM 0 HE2 PHE A 48 108.713 -2.928 9.011 1.00 0.00 H new ATOM 0 HZ PHE A 48 107.420 -3.829 7.095 1.00 0.00 H new ATOM 803 N SER A 49 114.371 -0.621 5.778 1.00 0.00 N ATOM 804 CA SER A 49 115.746 -0.063 5.869 1.00 0.00 C ATOM 805 C SER A 49 116.378 -0.111 4.475 1.00 0.00 C ATOM 806 O SER A 49 117.089 0.790 4.068 1.00 0.00 O ATOM 807 CB SER A 49 116.578 -0.902 6.841 1.00 0.00 C ATOM 808 OG SER A 49 115.938 -0.922 8.110 1.00 0.00 O ATOM 0 H SER A 49 114.257 -1.564 6.151 1.00 0.00 H new ATOM 0 HA SER A 49 115.712 0.965 6.231 1.00 0.00 H new ATOM 0 HB2 SER A 49 116.689 -1.917 6.460 1.00 0.00 H new ATOM 0 HB3 SER A 49 117.581 -0.485 6.933 1.00 0.00 H new ATOM 0 HG SER A 49 116.468 -1.460 8.735 1.00 0.00 H new ATOM 814 N SER A 50 116.099 -1.148 3.725 1.00 0.00 N ATOM 815 CA SER A 50 116.662 -1.241 2.353 1.00 0.00 C ATOM 816 C SER A 50 115.729 -0.485 1.413 1.00 0.00 C ATOM 817 O SER A 50 116.165 0.259 0.562 1.00 0.00 O ATOM 818 CB SER A 50 116.776 -2.709 1.935 1.00 0.00 C ATOM 819 OG SER A 50 118.132 -3.121 2.043 1.00 0.00 O ATOM 0 H SER A 50 115.507 -1.929 4.007 1.00 0.00 H new ATOM 0 HA SER A 50 117.660 -0.804 2.316 1.00 0.00 H new ATOM 0 HB2 SER A 50 116.143 -3.330 2.569 1.00 0.00 H new ATOM 0 HB3 SER A 50 116.425 -2.836 0.911 1.00 0.00 H new ATOM 0 HG SER A 50 118.188 -4.093 1.934 1.00 0.00 H new ATOM 825 N VAL A 51 114.443 -0.636 1.589 1.00 0.00 N ATOM 826 CA VAL A 51 113.489 0.120 0.733 1.00 0.00 C ATOM 827 C VAL A 51 113.716 1.594 1.046 1.00 0.00 C ATOM 828 O VAL A 51 113.585 2.460 0.204 1.00 0.00 O ATOM 829 CB VAL A 51 112.044 -0.266 1.085 1.00 0.00 C ATOM 830 CG1 VAL A 51 111.176 -0.237 -0.178 1.00 0.00 C ATOM 831 CG2 VAL A 51 112.022 -1.675 1.683 1.00 0.00 C ATOM 0 H VAL A 51 114.016 -1.247 2.285 1.00 0.00 H new ATOM 0 HA VAL A 51 113.646 -0.098 -0.323 1.00 0.00 H new ATOM 0 HB VAL A 51 111.650 0.446 1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 51 110.153 -0.512 0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 51 111.187 0.766 -0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 51 111.570 -0.945 -0.907 1.00 0.00 H new ATOM 0 HG21 VAL A 51 110.997 -1.948 1.933 1.00 0.00 H new ATOM 0 HG22 VAL A 51 112.420 -2.384 0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 51 112.633 -1.697 2.585 1.00 0.00 H new ATOM 841 N ALA A 52 114.081 1.864 2.271 1.00 0.00 N ATOM 842 CA ALA A 52 114.356 3.259 2.692 1.00 0.00 C ATOM 843 C ALA A 52 115.460 3.806 1.793 1.00 0.00 C ATOM 844 O ALA A 52 115.303 4.814 1.133 1.00 0.00 O ATOM 845 CB ALA A 52 114.832 3.271 4.149 1.00 0.00 C ATOM 0 H ALA A 52 114.200 1.165 3.004 1.00 0.00 H new ATOM 0 HA ALA A 52 113.456 3.868 2.610 1.00 0.00 H new ATOM 0 HB1 ALA A 52 115.034 4.297 4.457 1.00 0.00 H new ATOM 0 HB2 ALA A 52 114.058 2.846 4.788 1.00 0.00 H new ATOM 0 HB3 ALA A 52 115.743 2.679 4.239 1.00 0.00 H new ATOM 851 N ALA A 53 116.578 3.127 1.750 1.00 0.00 N ATOM 852 CA ALA A 53 117.693 3.587 0.879 1.00 0.00 C ATOM 853 C ALA A 53 117.246 3.487 -0.577 1.00 0.00 C ATOM 854 O ALA A 53 117.643 4.271 -1.416 1.00 0.00 O ATOM 855 CB ALA A 53 118.921 2.702 1.102 1.00 0.00 C ATOM 0 H ALA A 53 116.764 2.276 2.281 1.00 0.00 H new ATOM 0 HA ALA A 53 117.952 4.618 1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 53 119.735 3.042 0.462 1.00 0.00 H new ATOM 0 HB2 ALA A 53 119.229 2.764 2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 53 118.674 1.669 0.857 1.00 0.00 H new ATOM 861 N THR A 54 116.406 2.534 -0.882 1.00 0.00 N ATOM 862 CA THR A 54 115.918 2.397 -2.278 1.00 0.00 C ATOM 863 C THR A 54 115.206 3.689 -2.653 1.00 0.00 C ATOM 864 O THR A 54 115.268 4.144 -3.778 1.00 0.00 O ATOM 865 CB THR A 54 114.935 1.218 -2.382 1.00 0.00 C ATOM 866 OG1 THR A 54 115.507 0.074 -1.765 1.00 0.00 O ATOM 867 CG2 THR A 54 114.641 0.911 -3.853 1.00 0.00 C ATOM 0 H THR A 54 116.039 1.847 -0.223 1.00 0.00 H new ATOM 0 HA THR A 54 116.755 2.209 -2.951 1.00 0.00 H new ATOM 0 HB THR A 54 114.004 1.481 -1.880 1.00 0.00 H new ATOM 0 HG1 THR A 54 115.551 0.213 -0.796 1.00 0.00 H new ATOM 0 HG21 THR A 54 113.944 0.075 -3.918 1.00 0.00 H new ATOM 0 HG22 THR A 54 114.200 1.788 -4.327 1.00 0.00 H new ATOM 0 HG23 THR A 54 115.569 0.651 -4.363 1.00 0.00 H new ATOM 875 N CYS A 55 114.536 4.298 -1.713 1.00 0.00 N ATOM 876 CA CYS A 55 113.832 5.560 -2.031 1.00 0.00 C ATOM 877 C CYS A 55 114.844 6.705 -2.074 1.00 0.00 C ATOM 878 O CYS A 55 114.506 7.855 -1.874 1.00 0.00 O ATOM 879 CB CYS A 55 112.753 5.840 -0.985 1.00 0.00 C ATOM 880 SG CYS A 55 111.405 6.763 -1.762 1.00 0.00 S ATOM 0 H CYS A 55 114.449 3.976 -0.749 1.00 0.00 H new ATOM 0 HA CYS A 55 113.349 5.471 -3.004 1.00 0.00 H new ATOM 0 HB2 CYS A 55 112.378 4.904 -0.571 1.00 0.00 H new ATOM 0 HB3 CYS A 55 113.171 6.411 -0.156 1.00 0.00 H new ATOM 885 N GLN A 56 116.087 6.391 -2.335 1.00 0.00 N ATOM 886 CA GLN A 56 117.138 7.447 -2.395 1.00 0.00 C ATOM 887 C GLN A 56 117.722 7.518 -3.811 1.00 0.00 C ATOM 888 O GLN A 56 118.433 8.445 -4.147 1.00 0.00 O ATOM 889 CB GLN A 56 118.253 7.107 -1.400 1.00 0.00 C ATOM 890 CG GLN A 56 119.079 8.361 -1.104 1.00 0.00 C ATOM 891 CD GLN A 56 118.257 9.325 -0.247 1.00 0.00 C ATOM 892 OE1 GLN A 56 118.204 9.190 0.959 1.00 0.00 O ATOM 893 NE2 GLN A 56 117.608 10.300 -0.824 1.00 0.00 N ATOM 0 H GLN A 56 116.419 5.443 -2.510 1.00 0.00 H new ATOM 0 HA GLN A 56 116.698 8.411 -2.140 1.00 0.00 H new ATOM 0 HB2 GLN A 56 117.824 6.716 -0.477 1.00 0.00 H new ATOM 0 HB3 GLN A 56 118.894 6.326 -1.810 1.00 0.00 H new ATOM 0 HG2 GLN A 56 119.998 8.089 -0.584 1.00 0.00 H new ATOM 0 HG3 GLN A 56 119.371 8.845 -2.036 1.00 0.00 H new ATOM 0 HE21 GLN A 56 117.653 10.413 -1.837 1.00 0.00 H new ATOM 0 HE22 GLN A 56 117.056 10.948 -0.262 1.00 0.00 H new ATOM 902 N THR A 57 117.435 6.554 -4.649 1.00 0.00 N ATOM 903 CA THR A 57 117.993 6.599 -6.036 1.00 0.00 C ATOM 904 C THR A 57 117.343 7.753 -6.807 1.00 0.00 C ATOM 905 O THR A 57 116.280 8.220 -6.454 1.00 0.00 O ATOM 906 CB THR A 57 117.715 5.273 -6.763 1.00 0.00 C ATOM 907 OG1 THR A 57 117.243 5.540 -8.077 1.00 0.00 O ATOM 908 CG2 THR A 57 116.660 4.474 -6.000 1.00 0.00 C ATOM 0 H THR A 57 116.847 5.748 -4.438 1.00 0.00 H new ATOM 0 HA THR A 57 119.071 6.753 -5.982 1.00 0.00 H new ATOM 0 HB THR A 57 118.638 4.695 -6.816 1.00 0.00 H new ATOM 0 HG1 THR A 57 117.068 4.694 -8.540 1.00 0.00 H new ATOM 0 HG21 THR A 57 116.468 3.536 -6.520 1.00 0.00 H new ATOM 0 HG22 THR A 57 117.021 4.263 -4.993 1.00 0.00 H new ATOM 0 HG23 THR A 57 115.738 5.052 -5.941 1.00 0.00 H new ATOM 916 N PRO A 58 117.977 8.210 -7.855 1.00 0.00 N ATOM 917 CA PRO A 58 117.453 9.324 -8.688 1.00 0.00 C ATOM 918 C PRO A 58 115.926 9.277 -8.818 1.00 0.00 C ATOM 919 O PRO A 58 115.371 8.359 -9.389 1.00 0.00 O ATOM 920 CB PRO A 58 118.126 9.087 -10.038 1.00 0.00 C ATOM 921 CG PRO A 58 119.439 8.442 -9.712 1.00 0.00 C ATOM 922 CD PRO A 58 119.265 7.716 -8.368 1.00 0.00 C ATOM 0 HA PRO A 58 117.665 10.304 -8.260 1.00 0.00 H new ATOM 0 HB2 PRO A 58 117.518 8.444 -10.674 1.00 0.00 H new ATOM 0 HB3 PRO A 58 118.270 10.024 -10.577 1.00 0.00 H new ATOM 0 HG2 PRO A 58 119.728 7.740 -10.494 1.00 0.00 H new ATOM 0 HG3 PRO A 58 120.230 9.190 -9.646 1.00 0.00 H new ATOM 0 HD2 PRO A 58 119.253 6.634 -8.498 1.00 0.00 H new ATOM 0 HD3 PRO A 58 120.081 7.945 -7.683 1.00 0.00 H new ATOM 930 N LYS A 59 115.244 10.254 -8.283 1.00 0.00 N ATOM 931 CA LYS A 59 113.756 10.254 -8.369 1.00 0.00 C ATOM 932 C LYS A 59 113.302 10.640 -9.779 1.00 0.00 C ATOM 933 O LYS A 59 114.055 10.572 -10.731 1.00 0.00 O ATOM 934 CB LYS A 59 113.169 11.244 -7.350 1.00 0.00 C ATOM 935 CG LYS A 59 114.020 12.519 -7.257 1.00 0.00 C ATOM 936 CD LYS A 59 114.463 12.998 -8.651 1.00 0.00 C ATOM 937 CE LYS A 59 115.268 14.299 -8.523 1.00 0.00 C ATOM 938 NZ LYS A 59 116.717 14.004 -8.711 1.00 0.00 N ATOM 0 H LYS A 59 115.652 11.049 -7.792 1.00 0.00 H new ATOM 0 HA LYS A 59 113.397 9.249 -8.144 1.00 0.00 H new ATOM 0 HB2 LYS A 59 112.150 11.504 -7.638 1.00 0.00 H new ATOM 0 HB3 LYS A 59 113.112 10.770 -6.370 1.00 0.00 H new ATOM 0 HG2 LYS A 59 113.448 13.305 -6.765 1.00 0.00 H new ATOM 0 HG3 LYS A 59 114.898 12.329 -6.639 1.00 0.00 H new ATOM 0 HD2 LYS A 59 115.069 12.231 -9.134 1.00 0.00 H new ATOM 0 HD3 LYS A 59 113.591 13.160 -9.284 1.00 0.00 H new ATOM 0 HE2 LYS A 59 114.933 15.022 -9.267 1.00 0.00 H new ATOM 0 HE3 LYS A 59 115.101 14.748 -7.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 117.264 14.884 -8.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 117.031 13.328 -7.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 116.868 13.593 -9.654 1.00 0.00 H new ATOM 952 N ILE A 60 112.066 11.039 -9.914 1.00 0.00 N ATOM 953 CA ILE A 60 111.536 11.426 -11.250 1.00 0.00 C ATOM 954 C ILE A 60 110.373 12.403 -11.058 1.00 0.00 C ATOM 955 O ILE A 60 109.769 12.457 -10.006 1.00 0.00 O ATOM 956 CB ILE A 60 111.043 10.170 -11.993 1.00 0.00 C ATOM 957 CG1 ILE A 60 110.914 8.997 -11.003 1.00 0.00 C ATOM 958 CG2 ILE A 60 112.041 9.796 -13.095 1.00 0.00 C ATOM 959 CD1 ILE A 60 109.804 8.045 -11.456 1.00 0.00 C ATOM 0 H ILE A 60 111.396 11.113 -9.148 1.00 0.00 H new ATOM 0 HA ILE A 60 112.322 11.901 -11.837 1.00 0.00 H new ATOM 0 HB ILE A 60 110.070 10.378 -12.438 1.00 0.00 H new ATOM 0 HG12 ILE A 60 111.860 8.460 -10.938 1.00 0.00 H new ATOM 0 HG13 ILE A 60 110.694 9.376 -10.005 1.00 0.00 H new ATOM 0 HG21 ILE A 60 111.689 8.907 -13.618 1.00 0.00 H new ATOM 0 HG22 ILE A 60 112.130 10.622 -13.801 1.00 0.00 H new ATOM 0 HG23 ILE A 60 113.015 9.593 -12.650 1.00 0.00 H new ATOM 0 HD11 ILE A 60 109.722 7.220 -10.749 1.00 0.00 H new ATOM 0 HD12 ILE A 60 108.857 8.583 -11.497 1.00 0.00 H new ATOM 0 HD13 ILE A 60 110.042 7.653 -12.445 1.00 0.00 H new ATOM 971 N ALA A 61 110.052 13.174 -12.063 1.00 0.00 N ATOM 972 CA ALA A 61 108.927 14.142 -11.924 1.00 0.00 C ATOM 973 C ALA A 61 107.663 13.395 -11.505 1.00 0.00 C ATOM 974 O ALA A 61 106.810 13.091 -12.315 1.00 0.00 O ATOM 975 CB ALA A 61 108.677 14.846 -13.259 1.00 0.00 C ATOM 0 H ALA A 61 110.518 13.175 -12.970 1.00 0.00 H new ATOM 0 HA ALA A 61 109.186 14.884 -11.168 1.00 0.00 H new ATOM 0 HB1 ALA A 61 107.854 15.552 -13.150 1.00 0.00 H new ATOM 0 HB2 ALA A 61 109.577 15.382 -13.562 1.00 0.00 H new ATOM 0 HB3 ALA A 61 108.423 14.106 -14.018 1.00 0.00 H new ATOM 981 N CYS A 62 107.536 13.098 -10.242 1.00 0.00 N ATOM 982 CA CYS A 62 106.331 12.373 -9.757 1.00 0.00 C ATOM 983 C CYS A 62 105.081 12.979 -10.393 1.00 0.00 C ATOM 984 O CYS A 62 104.543 12.458 -11.350 1.00 0.00 O ATOM 985 CB CYS A 62 106.248 12.513 -8.239 1.00 0.00 C ATOM 986 SG CYS A 62 107.568 11.552 -7.475 1.00 0.00 S ATOM 0 H CYS A 62 108.220 13.328 -9.521 1.00 0.00 H new ATOM 0 HA CYS A 62 106.398 11.320 -10.029 1.00 0.00 H new ATOM 0 HB2 CYS A 62 106.335 13.562 -7.954 1.00 0.00 H new ATOM 0 HB3 CYS A 62 105.278 12.166 -7.883 1.00 0.00 H new ATOM 991 N LYS A 63 104.619 14.081 -9.874 1.00 0.00 N ATOM 992 CA LYS A 63 103.410 14.726 -10.452 1.00 0.00 C ATOM 993 C LYS A 63 103.772 15.342 -11.802 1.00 0.00 C ATOM 994 O LYS A 63 103.389 14.857 -12.848 1.00 0.00 O ATOM 995 CB LYS A 63 102.920 15.826 -9.505 1.00 0.00 C ATOM 996 CG LYS A 63 102.107 15.206 -8.360 1.00 0.00 C ATOM 997 CD LYS A 63 100.643 15.058 -8.784 1.00 0.00 C ATOM 998 CE LYS A 63 99.831 14.484 -7.621 1.00 0.00 C ATOM 999 NZ LYS A 63 98.377 14.649 -7.902 1.00 0.00 N ATOM 0 H LYS A 63 105.027 14.563 -9.073 1.00 0.00 H new ATOM 0 HA LYS A 63 102.622 13.984 -10.585 1.00 0.00 H new ATOM 0 HB2 LYS A 63 103.770 16.377 -9.102 1.00 0.00 H new ATOM 0 HB3 LYS A 63 102.307 16.542 -10.052 1.00 0.00 H new ATOM 0 HG2 LYS A 63 102.519 14.232 -8.095 1.00 0.00 H new ATOM 0 HG3 LYS A 63 102.176 15.833 -7.471 1.00 0.00 H new ATOM 0 HD2 LYS A 63 100.239 16.026 -9.080 1.00 0.00 H new ATOM 0 HD3 LYS A 63 100.569 14.403 -9.652 1.00 0.00 H new ATOM 0 HE2 LYS A 63 100.068 13.429 -7.483 1.00 0.00 H new ATOM 0 HE3 LYS A 63 100.093 14.993 -6.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 97.824 14.259 -7.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 98.157 15.659 -8.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 98.133 14.144 -8.778 1.00 0.00 H new ATOM 1013 N ASN A 64 104.518 16.405 -11.776 1.00 0.00 N ATOM 1014 CA ASN A 64 104.934 17.076 -13.037 1.00 0.00 C ATOM 1015 C ASN A 64 106.285 17.734 -12.790 1.00 0.00 C ATOM 1016 O ASN A 64 106.658 18.694 -13.435 1.00 0.00 O ATOM 1017 CB ASN A 64 103.907 18.142 -13.414 1.00 0.00 C ATOM 1018 CG ASN A 64 102.683 17.475 -14.045 1.00 0.00 C ATOM 1019 OD1 ASN A 64 102.690 17.149 -15.215 1.00 0.00 O ATOM 1020 ND2 ASN A 64 101.624 17.257 -13.314 1.00 0.00 N ATOM 0 H ASN A 64 104.863 16.845 -10.923 1.00 0.00 H new ATOM 0 HA ASN A 64 105.003 16.353 -13.850 1.00 0.00 H new ATOM 0 HB2 ASN A 64 103.611 18.705 -12.529 1.00 0.00 H new ATOM 0 HB3 ASN A 64 104.347 18.854 -14.113 1.00 0.00 H new ATOM 0 HD21 ASN A 64 100.803 16.813 -13.725 1.00 0.00 H new ATOM 0 HD22 ASN A 64 101.617 17.531 -12.331 1.00 0.00 H new ATOM 1027 N GLY A 65 107.012 17.220 -11.841 1.00 0.00 N ATOM 1028 CA GLY A 65 108.343 17.795 -11.506 1.00 0.00 C ATOM 1029 C GLY A 65 108.534 17.751 -9.990 1.00 0.00 C ATOM 1030 O GLY A 65 109.407 18.397 -9.447 1.00 0.00 O ATOM 0 H GLY A 65 106.738 16.416 -11.276 1.00 0.00 H new ATOM 0 HA2 GLY A 65 109.133 17.231 -12.002 1.00 0.00 H new ATOM 0 HA3 GLY A 65 108.411 18.822 -11.865 1.00 0.00 H new ATOM 1034 N ASP A 66 107.719 16.995 -9.298 1.00 0.00 N ATOM 1035 CA ASP A 66 107.859 16.915 -7.815 1.00 0.00 C ATOM 1036 C ASP A 66 109.199 16.270 -7.466 1.00 0.00 C ATOM 1037 O ASP A 66 109.896 16.708 -6.572 1.00 0.00 O ATOM 1038 CB ASP A 66 106.723 16.058 -7.240 1.00 0.00 C ATOM 1039 CG ASP A 66 105.802 16.924 -6.373 1.00 0.00 C ATOM 1040 OD1 ASP A 66 105.521 18.041 -6.775 1.00 0.00 O ATOM 1041 OD2 ASP A 66 105.396 16.454 -5.324 1.00 0.00 O ATOM 0 H ASP A 66 106.966 16.433 -9.695 1.00 0.00 H new ATOM 0 HA ASP A 66 107.812 17.918 -7.392 1.00 0.00 H new ATOM 0 HB2 ASP A 66 106.153 15.604 -8.050 1.00 0.00 H new ATOM 0 HB3 ASP A 66 107.136 15.243 -6.645 1.00 0.00 H new ATOM 1046 N LYS A 67 109.559 15.225 -8.157 1.00 0.00 N ATOM 1047 CA LYS A 67 110.847 14.544 -7.857 1.00 0.00 C ATOM 1048 C LYS A 67 110.749 13.879 -6.482 1.00 0.00 C ATOM 1049 O LYS A 67 111.617 14.032 -5.646 1.00 0.00 O ATOM 1050 CB LYS A 67 111.989 15.572 -7.855 1.00 0.00 C ATOM 1051 CG LYS A 67 111.700 16.688 -8.871 1.00 0.00 C ATOM 1052 CD LYS A 67 113.011 17.157 -9.510 1.00 0.00 C ATOM 1053 CE LYS A 67 112.786 18.496 -10.215 1.00 0.00 C ATOM 1054 NZ LYS A 67 112.660 19.578 -9.198 1.00 0.00 N ATOM 0 H LYS A 67 109.016 14.814 -8.916 1.00 0.00 H new ATOM 0 HA LYS A 67 111.050 13.790 -8.617 1.00 0.00 H new ATOM 0 HB2 LYS A 67 112.103 15.998 -6.858 1.00 0.00 H new ATOM 0 HB3 LYS A 67 112.931 15.081 -8.101 1.00 0.00 H new ATOM 0 HG2 LYS A 67 111.019 16.325 -9.640 1.00 0.00 H new ATOM 0 HG3 LYS A 67 111.206 17.524 -8.376 1.00 0.00 H new ATOM 0 HD2 LYS A 67 113.783 17.261 -8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 67 113.366 16.414 -10.224 1.00 0.00 H new ATOM 0 HE2 LYS A 67 113.617 18.709 -10.887 1.00 0.00 H new ATOM 0 HE3 LYS A 67 111.885 18.450 -10.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 112.879 20.495 -9.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 111.688 19.595 -8.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 113.325 19.400 -8.418 1.00 0.00 H new ATOM 1068 N ASN A 68 109.684 13.157 -6.233 1.00 0.00 N ATOM 1069 CA ASN A 68 109.521 12.498 -4.897 1.00 0.00 C ATOM 1070 C ASN A 68 109.387 10.973 -5.040 1.00 0.00 C ATOM 1071 O ASN A 68 109.246 10.272 -4.050 1.00 0.00 O ATOM 1072 CB ASN A 68 108.264 13.048 -4.220 1.00 0.00 C ATOM 1073 CG ASN A 68 108.367 14.570 -4.111 1.00 0.00 C ATOM 1074 OD1 ASN A 68 109.452 15.115 -4.051 1.00 0.00 O ATOM 1075 ND2 ASN A 68 107.276 15.285 -4.082 1.00 0.00 N ATOM 0 H ASN A 68 108.923 12.995 -6.893 1.00 0.00 H new ATOM 0 HA ASN A 68 110.406 12.711 -4.297 1.00 0.00 H new ATOM 0 HB2 ASN A 68 107.379 12.773 -4.794 1.00 0.00 H new ATOM 0 HB3 ASN A 68 108.150 12.609 -3.229 1.00 0.00 H new ATOM 0 HD21 ASN A 68 107.334 16.301 -4.009 1.00 0.00 H new ATOM 0 HD22 ASN A 68 106.365 14.828 -4.132 1.00 0.00 H new ATOM 1082 N CYS A 69 109.433 10.447 -6.247 1.00 0.00 N ATOM 1083 CA CYS A 69 109.308 8.975 -6.429 1.00 0.00 C ATOM 1084 C CYS A 69 110.704 8.384 -6.566 1.00 0.00 C ATOM 1085 O CYS A 69 111.656 9.088 -6.819 1.00 0.00 O ATOM 1086 CB CYS A 69 108.492 8.679 -7.688 1.00 0.00 C ATOM 1087 SG CYS A 69 106.957 9.637 -7.654 1.00 0.00 S ATOM 0 H CYS A 69 109.552 10.980 -7.108 1.00 0.00 H new ATOM 0 HA CYS A 69 108.801 8.533 -5.571 1.00 0.00 H new ATOM 0 HB2 CYS A 69 109.071 8.931 -8.577 1.00 0.00 H new ATOM 0 HB3 CYS A 69 108.267 7.614 -7.746 1.00 0.00 H new ATOM 1092 N HIS A 70 110.841 7.104 -6.398 1.00 0.00 N ATOM 1093 CA HIS A 70 112.189 6.484 -6.511 1.00 0.00 C ATOM 1094 C HIS A 70 112.030 5.062 -7.017 1.00 0.00 C ATOM 1095 O HIS A 70 111.395 4.242 -6.387 1.00 0.00 O ATOM 1096 CB HIS A 70 112.845 6.433 -5.136 1.00 0.00 C ATOM 1097 CG HIS A 70 113.478 7.754 -4.802 1.00 0.00 C ATOM 1098 ND1 HIS A 70 114.850 7.902 -4.658 1.00 0.00 N ATOM 1099 CD2 HIS A 70 112.940 8.989 -4.559 1.00 0.00 C ATOM 1100 CE1 HIS A 70 115.088 9.189 -4.342 1.00 0.00 C ATOM 1101 NE2 HIS A 70 113.957 9.891 -4.270 1.00 0.00 N ATOM 0 H HIS A 70 110.080 6.458 -6.187 1.00 0.00 H new ATOM 0 HA HIS A 70 112.804 7.071 -7.194 1.00 0.00 H new ATOM 0 HB2 HIS A 70 112.101 6.179 -4.381 1.00 0.00 H new ATOM 0 HB3 HIS A 70 113.600 5.647 -5.116 1.00 0.00 H new ATOM 0 HD2 HIS A 70 111.887 9.226 -4.587 1.00 0.00 H new ATOM 0 HE1 HIS A 70 116.071 9.601 -4.169 1.00 0.00 H new ATOM 0 HE2 HIS A 70 113.859 10.882 -4.049 1.00 0.00 H new ATOM 1110 N GLN A 71 112.601 4.761 -8.139 1.00 0.00 N ATOM 1111 CA GLN A 71 112.472 3.382 -8.683 1.00 0.00 C ATOM 1112 C GLN A 71 113.659 2.525 -8.242 1.00 0.00 C ATOM 1113 O GLN A 71 114.799 2.942 -8.282 1.00 0.00 O ATOM 1114 CB GLN A 71 112.360 3.452 -10.213 1.00 0.00 C ATOM 1115 CG GLN A 71 113.244 2.395 -10.891 1.00 0.00 C ATOM 1116 CD GLN A 71 114.704 2.855 -10.873 1.00 0.00 C ATOM 1117 OE1 GLN A 71 115.005 3.939 -10.412 1.00 0.00 O ATOM 1118 NE2 GLN A 71 115.628 2.073 -11.359 1.00 0.00 N ATOM 0 H GLN A 71 113.152 5.405 -8.706 1.00 0.00 H new ATOM 0 HA GLN A 71 111.570 2.912 -8.292 1.00 0.00 H new ATOM 0 HB2 GLN A 71 111.322 3.304 -10.510 1.00 0.00 H new ATOM 0 HB3 GLN A 71 112.651 4.445 -10.555 1.00 0.00 H new ATOM 0 HG2 GLN A 71 113.147 1.440 -10.374 1.00 0.00 H new ATOM 0 HG3 GLN A 71 112.915 2.236 -11.918 1.00 0.00 H new ATOM 0 HE21 GLN A 71 115.375 1.164 -11.746 1.00 0.00 H new ATOM 0 HE22 GLN A 71 116.604 2.371 -11.352 1.00 0.00 H new ATOM 1127 N SER A 72 113.381 1.323 -7.817 1.00 0.00 N ATOM 1128 CA SER A 72 114.466 0.412 -7.365 1.00 0.00 C ATOM 1129 C SER A 72 115.518 0.289 -8.468 1.00 0.00 C ATOM 1130 O SER A 72 115.223 0.427 -9.639 1.00 0.00 O ATOM 1131 CB SER A 72 113.878 -0.968 -7.064 1.00 0.00 C ATOM 1132 OG SER A 72 113.247 -0.942 -5.791 1.00 0.00 O ATOM 0 H SER A 72 112.441 0.932 -7.764 1.00 0.00 H new ATOM 0 HA SER A 72 114.929 0.814 -6.464 1.00 0.00 H new ATOM 0 HB2 SER A 72 113.158 -1.245 -7.834 1.00 0.00 H new ATOM 0 HB3 SER A 72 114.665 -1.722 -7.077 1.00 0.00 H new ATOM 0 HG SER A 72 112.299 -0.717 -5.900 1.00 0.00 H new ATOM 1138 N HIS A 73 116.742 0.028 -8.105 1.00 0.00 N ATOM 1139 CA HIS A 73 117.813 -0.106 -9.132 1.00 0.00 C ATOM 1140 C HIS A 73 117.776 -1.516 -9.720 1.00 0.00 C ATOM 1141 O HIS A 73 118.757 -2.008 -10.242 1.00 0.00 O ATOM 1142 CB HIS A 73 119.170 0.132 -8.474 1.00 0.00 C ATOM 1143 CG HIS A 73 120.198 0.439 -9.528 1.00 0.00 C ATOM 1144 ND1 HIS A 73 120.172 0.324 -10.897 1.00 0.00 N flip ATOM 1145 CD2 HIS A 73 121.455 0.939 -9.214 1.00 0.00 C flip ATOM 1146 CE1 HIS A 73 121.389 0.743 -11.421 1.00 0.00 C flip ATOM 1147 NE2 HIS A 73 122.126 1.104 -10.369 1.00 0.00 N flip ATOM 0 H HIS A 73 117.048 -0.099 -7.140 1.00 0.00 H new ATOM 0 HA HIS A 73 117.656 0.624 -9.926 1.00 0.00 H new ATOM 0 HB2 HIS A 73 119.102 0.959 -7.767 1.00 0.00 H new ATOM 0 HB3 HIS A 73 119.469 -0.749 -7.906 1.00 0.00 H new ATOM 0 HD2 HIS A 73 121.826 1.156 -8.223 1.00 0.00 H new ATOM 0 HE1 HIS A 73 121.678 0.771 -12.461 1.00 0.00 H new ATOM 0 HE2 HIS A 73 123.079 1.461 -10.432 1.00 0.00 H new ATOM 1156 N GLY A 74 116.654 -2.170 -9.633 1.00 0.00 N ATOM 1157 CA GLY A 74 116.555 -3.552 -10.182 1.00 0.00 C ATOM 1158 C GLY A 74 115.245 -4.193 -9.722 1.00 0.00 C ATOM 1159 O GLY A 74 114.421 -3.557 -9.095 1.00 0.00 O ATOM 0 H GLY A 74 115.801 -1.809 -9.206 1.00 0.00 H new ATOM 0 HA2 GLY A 74 116.596 -3.526 -11.271 1.00 0.00 H new ATOM 0 HA3 GLY A 74 117.402 -4.150 -9.845 1.00 0.00 H new ATOM 1163 N PRO A 75 115.054 -5.446 -10.036 1.00 0.00 N ATOM 1164 CA PRO A 75 113.821 -6.191 -9.657 1.00 0.00 C ATOM 1165 C PRO A 75 113.804 -6.579 -8.174 1.00 0.00 C ATOM 1166 O PRO A 75 114.684 -7.267 -7.695 1.00 0.00 O ATOM 1167 CB PRO A 75 113.870 -7.440 -10.542 1.00 0.00 C ATOM 1168 CG PRO A 75 115.322 -7.667 -10.817 1.00 0.00 C ATOM 1169 CD PRO A 75 115.995 -6.291 -10.790 1.00 0.00 C ATOM 0 HA PRO A 75 112.923 -5.590 -9.800 1.00 0.00 H new ATOM 0 HB2 PRO A 75 113.426 -8.298 -10.038 1.00 0.00 H new ATOM 0 HB3 PRO A 75 113.313 -7.290 -11.467 1.00 0.00 H new ATOM 0 HG2 PRO A 75 115.759 -8.327 -10.068 1.00 0.00 H new ATOM 0 HG3 PRO A 75 115.462 -8.148 -11.785 1.00 0.00 H new ATOM 0 HD2 PRO A 75 116.970 -6.333 -10.304 1.00 0.00 H new ATOM 0 HD3 PRO A 75 116.157 -5.907 -11.797 1.00 0.00 H new ATOM 1177 N VAL A 76 112.805 -6.148 -7.445 1.00 0.00 N ATOM 1178 CA VAL A 76 112.723 -6.497 -5.997 1.00 0.00 C ATOM 1179 C VAL A 76 111.617 -7.535 -5.813 1.00 0.00 C ATOM 1180 O VAL A 76 110.569 -7.452 -6.427 1.00 0.00 O ATOM 1181 CB VAL A 76 112.395 -5.234 -5.179 1.00 0.00 C ATOM 1182 CG1 VAL A 76 111.569 -4.272 -6.028 1.00 0.00 C ATOM 1183 CG2 VAL A 76 111.611 -5.614 -3.917 1.00 0.00 C ATOM 0 H VAL A 76 112.042 -5.568 -7.793 1.00 0.00 H new ATOM 0 HA VAL A 76 113.675 -6.901 -5.653 1.00 0.00 H new ATOM 0 HB VAL A 76 113.326 -4.749 -4.886 1.00 0.00 H new ATOM 0 HG11 VAL A 76 111.339 -3.379 -5.446 1.00 0.00 H new ATOM 0 HG12 VAL A 76 112.136 -3.991 -6.915 1.00 0.00 H new ATOM 0 HG13 VAL A 76 110.641 -4.758 -6.330 1.00 0.00 H new ATOM 0 HG21 VAL A 76 111.384 -4.714 -3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 76 110.682 -6.108 -4.201 1.00 0.00 H new ATOM 0 HG23 VAL A 76 112.210 -6.290 -3.307 1.00 0.00 H new ATOM 1193 N SER A 77 111.834 -8.505 -4.971 1.00 0.00 N ATOM 1194 CA SER A 77 110.784 -9.534 -4.747 1.00 0.00 C ATOM 1195 C SER A 77 109.558 -8.847 -4.153 1.00 0.00 C ATOM 1196 O SER A 77 109.367 -8.824 -2.962 1.00 0.00 O ATOM 1197 CB SER A 77 111.302 -10.595 -3.775 1.00 0.00 C ATOM 1198 OG SER A 77 110.253 -11.505 -3.471 1.00 0.00 O ATOM 0 H SER A 77 112.690 -8.629 -4.430 1.00 0.00 H new ATOM 0 HA SER A 77 110.524 -10.017 -5.689 1.00 0.00 H new ATOM 0 HB2 SER A 77 112.145 -11.128 -4.215 1.00 0.00 H new ATOM 0 HB3 SER A 77 111.665 -10.122 -2.862 1.00 0.00 H new ATOM 0 HG SER A 77 110.582 -12.187 -2.849 1.00 0.00 H new ATOM 1204 N LEU A 78 108.733 -8.272 -4.975 1.00 0.00 N ATOM 1205 CA LEU A 78 107.529 -7.571 -4.457 1.00 0.00 C ATOM 1206 C LEU A 78 106.333 -8.521 -4.459 1.00 0.00 C ATOM 1207 O LEU A 78 106.435 -9.668 -4.845 1.00 0.00 O ATOM 1208 CB LEU A 78 107.227 -6.379 -5.353 1.00 0.00 C ATOM 1209 CG LEU A 78 106.892 -6.859 -6.767 1.00 0.00 C ATOM 1210 CD1 LEU A 78 105.423 -7.299 -6.855 1.00 0.00 C ATOM 1211 CD2 LEU A 78 107.132 -5.710 -7.738 1.00 0.00 C ATOM 0 H LEU A 78 108.840 -8.256 -5.989 1.00 0.00 H new ATOM 0 HA LEU A 78 107.715 -7.234 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 78 106.391 -5.810 -4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 78 108.086 -5.708 -5.382 1.00 0.00 H new ATOM 0 HG LEU A 78 107.524 -7.711 -7.017 1.00 0.00 H new ATOM 0 HD11 LEU A 78 105.204 -7.637 -7.868 1.00 0.00 H new ATOM 0 HD12 LEU A 78 105.245 -8.115 -6.154 1.00 0.00 H new ATOM 0 HD13 LEU A 78 104.776 -6.458 -6.605 1.00 0.00 H new ATOM 0 HD21 LEU A 78 106.898 -6.035 -8.752 1.00 0.00 H new ATOM 0 HD22 LEU A 78 106.493 -4.868 -7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 78 108.177 -5.403 -7.688 1.00 0.00 H new ATOM 1223 N THR A 79 105.195 -8.045 -4.034 1.00 0.00 N ATOM 1224 CA THR A 79 103.978 -8.902 -4.011 1.00 0.00 C ATOM 1225 C THR A 79 102.763 -8.072 -4.410 1.00 0.00 C ATOM 1226 O THR A 79 102.299 -7.234 -3.666 1.00 0.00 O ATOM 1227 CB THR A 79 103.780 -9.456 -2.601 1.00 0.00 C ATOM 1228 OG1 THR A 79 104.501 -10.672 -2.472 1.00 0.00 O ATOM 1229 CG2 THR A 79 102.299 -9.719 -2.330 1.00 0.00 C ATOM 0 H THR A 79 105.056 -7.092 -3.699 1.00 0.00 H new ATOM 0 HA THR A 79 104.097 -9.727 -4.714 1.00 0.00 H new ATOM 0 HB THR A 79 104.145 -8.723 -1.881 1.00 0.00 H new ATOM 0 HG1 THR A 79 105.424 -10.539 -2.773 1.00 0.00 H new ATOM 0 HG21 THR A 79 102.178 -10.113 -1.321 1.00 0.00 H new ATOM 0 HG22 THR A 79 101.741 -8.788 -2.425 1.00 0.00 H new ATOM 0 HG23 THR A 79 101.920 -10.444 -3.051 1.00 0.00 H new ATOM 1237 N MET A 80 102.236 -8.304 -5.574 1.00 0.00 N ATOM 1238 CA MET A 80 101.041 -7.530 -6.003 1.00 0.00 C ATOM 1239 C MET A 80 99.772 -8.242 -5.531 1.00 0.00 C ATOM 1240 O MET A 80 99.403 -9.279 -6.049 1.00 0.00 O ATOM 1241 CB MET A 80 101.018 -7.413 -7.529 1.00 0.00 C ATOM 1242 CG MET A 80 102.441 -7.214 -8.047 1.00 0.00 C ATOM 1243 SD MET A 80 102.402 -6.931 -9.835 1.00 0.00 S ATOM 1244 CE MET A 80 101.545 -5.336 -9.803 1.00 0.00 C ATOM 0 H MET A 80 102.577 -8.992 -6.245 1.00 0.00 H new ATOM 0 HA MET A 80 101.086 -6.533 -5.565 1.00 0.00 H new ATOM 0 HB2 MET A 80 100.583 -8.311 -7.967 1.00 0.00 H new ATOM 0 HB3 MET A 80 100.389 -6.575 -7.831 1.00 0.00 H new ATOM 0 HG2 MET A 80 102.907 -6.366 -7.544 1.00 0.00 H new ATOM 0 HG3 MET A 80 103.047 -8.091 -7.820 1.00 0.00 H new ATOM 0 HE1 MET A 80 102.020 -4.654 -10.508 1.00 0.00 H new ATOM 0 HE2 MET A 80 100.501 -5.478 -10.083 1.00 0.00 H new ATOM 0 HE3 MET A 80 101.597 -4.915 -8.799 1.00 0.00 H new ATOM 1254 N CYS A 81 99.095 -7.696 -4.555 1.00 0.00 N ATOM 1255 CA CYS A 81 97.844 -8.342 -4.073 1.00 0.00 C ATOM 1256 C CYS A 81 96.659 -7.721 -4.804 1.00 0.00 C ATOM 1257 O CYS A 81 96.691 -6.563 -5.166 1.00 0.00 O ATOM 1258 CB CYS A 81 97.676 -8.111 -2.573 1.00 0.00 C ATOM 1259 SG CYS A 81 99.257 -8.343 -1.734 1.00 0.00 S ATOM 0 H CYS A 81 99.355 -6.835 -4.074 1.00 0.00 H new ATOM 0 HA CYS A 81 97.894 -9.414 -4.266 1.00 0.00 H new ATOM 0 HB2 CYS A 81 97.303 -7.103 -2.391 1.00 0.00 H new ATOM 0 HB3 CYS A 81 96.936 -8.803 -2.170 1.00 0.00 H new ATOM 1264 N LYS A 82 95.614 -8.472 -5.032 1.00 0.00 N ATOM 1265 CA LYS A 82 94.443 -7.911 -5.741 1.00 0.00 C ATOM 1266 C LYS A 82 93.164 -8.333 -5.016 1.00 0.00 C ATOM 1267 O LYS A 82 93.130 -9.339 -4.336 1.00 0.00 O ATOM 1268 CB LYS A 82 94.431 -8.425 -7.187 1.00 0.00 C ATOM 1269 CG LYS A 82 93.497 -9.629 -7.296 1.00 0.00 C ATOM 1270 CD LYS A 82 93.739 -10.351 -8.623 1.00 0.00 C ATOM 1271 CE LYS A 82 93.498 -9.386 -9.785 1.00 0.00 C ATOM 1272 NZ LYS A 82 93.299 -10.162 -11.042 1.00 0.00 N ATOM 0 H LYS A 82 95.527 -9.450 -4.755 1.00 0.00 H new ATOM 0 HA LYS A 82 94.501 -6.823 -5.753 1.00 0.00 H new ATOM 0 HB2 LYS A 82 94.102 -7.635 -7.862 1.00 0.00 H new ATOM 0 HB3 LYS A 82 95.439 -8.705 -7.492 1.00 0.00 H new ATOM 0 HG2 LYS A 82 93.669 -10.311 -6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.459 -9.303 -7.232 1.00 0.00 H new ATOM 0 HD2 LYS A 82 94.759 -10.733 -8.660 1.00 0.00 H new ATOM 0 HD3 LYS A 82 93.074 -11.211 -8.707 1.00 0.00 H new ATOM 0 HE2 LYS A 82 92.622 -8.769 -9.584 1.00 0.00 H new ATOM 0 HE3 LYS A 82 94.346 -8.710 -9.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 93.135 -9.506 -11.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 94.147 -10.733 -11.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 92.476 -10.789 -10.936 1.00 0.00 H new ATOM 1286 N LEU A 83 92.110 -7.578 -5.154 1.00 0.00 N ATOM 1287 CA LEU A 83 90.847 -7.958 -4.469 1.00 0.00 C ATOM 1288 C LEU A 83 90.234 -9.150 -5.186 1.00 0.00 C ATOM 1289 O LEU A 83 89.742 -9.047 -6.293 1.00 0.00 O ATOM 1290 CB LEU A 83 89.858 -6.786 -4.470 1.00 0.00 C ATOM 1291 CG LEU A 83 88.492 -7.239 -3.921 1.00 0.00 C ATOM 1292 CD1 LEU A 83 88.683 -8.119 -2.687 1.00 0.00 C ATOM 1293 CD2 LEU A 83 87.668 -6.016 -3.512 1.00 0.00 C ATOM 0 H LEU A 83 92.069 -6.722 -5.707 1.00 0.00 H new ATOM 0 HA LEU A 83 91.067 -8.220 -3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 83 90.250 -5.970 -3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 83 89.741 -6.401 -5.483 1.00 0.00 H new ATOM 0 HG LEU A 83 87.978 -7.800 -4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 83 87.710 -8.432 -2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 83 89.269 -8.999 -2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 83 89.207 -7.555 -1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 83 86.703 -6.341 -3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 83 88.200 -5.460 -2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 83 87.513 -5.375 -4.380 1.00 0.00 H new ATOM 1305 N THR A 84 90.262 -10.282 -4.554 1.00 0.00 N ATOM 1306 CA THR A 84 89.685 -11.497 -5.180 1.00 0.00 C ATOM 1307 C THR A 84 88.170 -11.330 -5.286 1.00 0.00 C ATOM 1308 O THR A 84 87.595 -11.549 -6.333 1.00 0.00 O ATOM 1309 CB THR A 84 90.025 -12.731 -4.337 1.00 0.00 C ATOM 1310 OG1 THR A 84 89.294 -12.690 -3.122 1.00 0.00 O ATOM 1311 CG2 THR A 84 91.532 -12.761 -4.034 1.00 0.00 C ATOM 0 H THR A 84 90.662 -10.420 -3.626 1.00 0.00 H new ATOM 0 HA THR A 84 90.105 -11.633 -6.176 1.00 0.00 H new ATOM 0 HB THR A 84 89.757 -13.630 -4.893 1.00 0.00 H new ATOM 0 HG1 THR A 84 89.369 -11.797 -2.725 1.00 0.00 H new ATOM 0 HG21 THR A 84 91.765 -13.641 -3.435 1.00 0.00 H new ATOM 0 HG22 THR A 84 92.090 -12.801 -4.969 1.00 0.00 H new ATOM 0 HG23 THR A 84 91.810 -11.863 -3.483 1.00 0.00 H new ATOM 1319 N SER A 85 87.511 -10.926 -4.223 1.00 0.00 N ATOM 1320 CA SER A 85 86.023 -10.737 -4.313 1.00 0.00 C ATOM 1321 C SER A 85 85.382 -10.682 -2.919 1.00 0.00 C ATOM 1322 O SER A 85 85.914 -11.190 -1.953 1.00 0.00 O ATOM 1323 CB SER A 85 85.402 -11.900 -5.099 1.00 0.00 C ATOM 1324 OG SER A 85 86.230 -13.048 -4.970 1.00 0.00 O ATOM 0 H SER A 85 87.927 -10.722 -3.314 1.00 0.00 H new ATOM 0 HA SER A 85 85.835 -9.791 -4.822 1.00 0.00 H new ATOM 0 HB2 SER A 85 84.401 -12.115 -4.724 1.00 0.00 H new ATOM 0 HB3 SER A 85 85.297 -11.629 -6.150 1.00 0.00 H new ATOM 0 HG SER A 85 86.774 -13.152 -5.779 1.00 0.00 H new ATOM 1330 N GLY A 86 84.226 -10.070 -2.824 1.00 0.00 N ATOM 1331 CA GLY A 86 83.515 -9.975 -1.517 1.00 0.00 C ATOM 1332 C GLY A 86 82.772 -8.640 -1.449 1.00 0.00 C ATOM 1333 O GLY A 86 81.564 -8.602 -1.460 1.00 0.00 O ATOM 0 H GLY A 86 83.743 -9.629 -3.606 1.00 0.00 H new ATOM 0 HA2 GLY A 86 82.813 -10.802 -1.409 1.00 0.00 H new ATOM 0 HA3 GLY A 86 84.227 -10.052 -0.695 1.00 0.00 H new ATOM 1337 N LYS A 87 83.510 -7.558 -1.383 1.00 0.00 N ATOM 1338 CA LYS A 87 82.924 -6.180 -1.316 1.00 0.00 C ATOM 1339 C LYS A 87 83.893 -5.295 -0.531 1.00 0.00 C ATOM 1340 O LYS A 87 85.061 -5.214 -0.852 1.00 0.00 O ATOM 1341 CB LYS A 87 81.560 -6.204 -0.612 1.00 0.00 C ATOM 1342 CG LYS A 87 80.454 -6.477 -1.637 1.00 0.00 C ATOM 1343 CD LYS A 87 79.644 -5.201 -1.898 1.00 0.00 C ATOM 1344 CE LYS A 87 80.526 -4.166 -2.600 1.00 0.00 C ATOM 1345 NZ LYS A 87 79.669 -3.088 -3.169 1.00 0.00 N ATOM 0 H LYS A 87 84.530 -7.574 -1.372 1.00 0.00 H new ATOM 0 HA LYS A 87 82.776 -5.793 -2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 87 81.552 -6.974 0.160 1.00 0.00 H new ATOM 0 HB3 LYS A 87 81.380 -5.251 -0.114 1.00 0.00 H new ATOM 0 HG2 LYS A 87 80.892 -6.835 -2.569 1.00 0.00 H new ATOM 0 HG3 LYS A 87 79.796 -7.265 -1.271 1.00 0.00 H new ATOM 0 HD2 LYS A 87 78.774 -5.430 -2.514 1.00 0.00 H new ATOM 0 HD3 LYS A 87 79.270 -4.797 -0.957 1.00 0.00 H new ATOM 0 HE2 LYS A 87 81.241 -3.743 -1.894 1.00 0.00 H new ATOM 0 HE3 LYS A 87 81.104 -4.642 -3.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 80.268 -2.384 -3.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 79.004 -3.499 -3.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 79.136 -2.627 -2.404 1.00 0.00 H new ATOM 1359 N TYR A 88 83.432 -4.645 0.503 1.00 0.00 N ATOM 1360 CA TYR A 88 84.348 -3.793 1.313 1.00 0.00 C ATOM 1361 C TYR A 88 84.531 -4.424 2.701 1.00 0.00 C ATOM 1362 O TYR A 88 85.629 -4.475 3.220 1.00 0.00 O ATOM 1363 CB TYR A 88 83.795 -2.364 1.448 1.00 0.00 C ATOM 1364 CG TYR A 88 84.161 -1.826 2.811 1.00 0.00 C ATOM 1365 CD1 TYR A 88 85.484 -1.920 3.268 1.00 0.00 C ATOM 1366 CD2 TYR A 88 83.176 -1.277 3.631 1.00 0.00 C ATOM 1367 CE1 TYR A 88 85.814 -1.460 4.544 1.00 0.00 C ATOM 1368 CE2 TYR A 88 83.505 -0.823 4.912 1.00 0.00 C ATOM 1369 CZ TYR A 88 84.824 -0.915 5.370 1.00 0.00 C ATOM 1370 OH TYR A 88 85.148 -0.472 6.636 1.00 0.00 O ATOM 0 H TYR A 88 82.463 -4.667 0.821 1.00 0.00 H new ATOM 0 HA TYR A 88 85.312 -3.733 0.808 1.00 0.00 H new ATOM 0 HB2 TYR A 88 84.207 -1.725 0.667 1.00 0.00 H new ATOM 0 HB3 TYR A 88 82.712 -2.365 1.321 1.00 0.00 H new ATOM 0 HD1 TYR A 88 86.246 -2.348 2.633 1.00 0.00 H new ATOM 0 HD2 TYR A 88 82.159 -1.202 3.277 1.00 0.00 H new ATOM 0 HE1 TYR A 88 86.834 -1.525 4.894 1.00 0.00 H new ATOM 0 HE2 TYR A 88 82.741 -0.401 5.548 1.00 0.00 H new ATOM 0 HH TYR A 88 86.122 -0.417 6.724 1.00 0.00 H new ATOM 1380 N PRO A 89 83.475 -4.899 3.307 1.00 0.00 N ATOM 1381 CA PRO A 89 83.545 -5.521 4.648 1.00 0.00 C ATOM 1382 C PRO A 89 83.791 -7.032 4.565 1.00 0.00 C ATOM 1383 O PRO A 89 83.988 -7.695 5.563 1.00 0.00 O ATOM 1384 CB PRO A 89 82.163 -5.225 5.223 1.00 0.00 C ATOM 1385 CG PRO A 89 81.240 -5.217 4.040 1.00 0.00 C ATOM 1386 CD PRO A 89 82.095 -4.907 2.798 1.00 0.00 C ATOM 0 HA PRO A 89 84.366 -5.136 5.253 1.00 0.00 H new ATOM 0 HB2 PRO A 89 81.867 -5.983 5.948 1.00 0.00 H new ATOM 0 HB3 PRO A 89 82.149 -4.266 5.741 1.00 0.00 H new ATOM 0 HG2 PRO A 89 80.742 -6.181 3.934 1.00 0.00 H new ATOM 0 HG3 PRO A 89 80.459 -4.467 4.166 1.00 0.00 H new ATOM 0 HD2 PRO A 89 81.960 -5.661 2.023 1.00 0.00 H new ATOM 0 HD3 PRO A 89 81.826 -3.946 2.358 1.00 0.00 H new ATOM 1394 N ASN A 90 83.772 -7.580 3.375 1.00 0.00 N ATOM 1395 CA ASN A 90 83.994 -9.049 3.216 1.00 0.00 C ATOM 1396 C ASN A 90 84.890 -9.304 2.002 1.00 0.00 C ATOM 1397 O ASN A 90 84.821 -10.343 1.379 1.00 0.00 O ATOM 1398 CB ASN A 90 82.644 -9.736 2.997 1.00 0.00 C ATOM 1399 CG ASN A 90 82.720 -11.190 3.468 1.00 0.00 C ATOM 1400 OD1 ASN A 90 82.851 -12.143 2.585 1.00 0.00 O flip ATOM 1401 ND2 ASN A 90 82.660 -11.463 4.650 1.00 0.00 N flip ATOM 0 H ASN A 90 83.612 -7.071 2.505 1.00 0.00 H new ATOM 0 HA ASN A 90 84.474 -9.445 4.111 1.00 0.00 H new ATOM 0 HB2 ASN A 90 81.864 -9.207 3.544 1.00 0.00 H new ATOM 0 HB3 ASN A 90 82.374 -9.700 1.942 1.00 0.00 H new ATOM 0 HD21 ASN A 90 82.558 -10.719 5.341 1.00 0.00 H new ATOM 0 HD22 ASN A 90 82.712 -12.436 4.952 1.00 0.00 H new ATOM 1408 N CYS A 91 85.719 -8.360 1.656 1.00 0.00 N ATOM 1409 CA CYS A 91 86.606 -8.530 0.473 1.00 0.00 C ATOM 1410 C CYS A 91 87.849 -9.337 0.853 1.00 0.00 C ATOM 1411 O CYS A 91 88.566 -9.002 1.774 1.00 0.00 O ATOM 1412 CB CYS A 91 87.020 -7.141 -0.021 1.00 0.00 C ATOM 1413 SG CYS A 91 86.604 -5.915 1.238 1.00 0.00 S ATOM 0 H CYS A 91 85.821 -7.471 2.146 1.00 0.00 H new ATOM 0 HA CYS A 91 86.075 -9.068 -0.312 1.00 0.00 H new ATOM 0 HB2 CYS A 91 88.090 -7.119 -0.227 1.00 0.00 H new ATOM 0 HB3 CYS A 91 86.510 -6.907 -0.956 1.00 0.00 H new ATOM 1418 N ARG A 92 88.115 -10.388 0.124 1.00 0.00 N ATOM 1419 CA ARG A 92 89.320 -11.219 0.401 1.00 0.00 C ATOM 1420 C ARG A 92 90.318 -10.985 -0.730 1.00 0.00 C ATOM 1421 O ARG A 92 89.939 -10.897 -1.889 1.00 0.00 O ATOM 1422 CB ARG A 92 88.934 -12.703 0.458 1.00 0.00 C ATOM 1423 CG ARG A 92 87.819 -12.996 -0.556 1.00 0.00 C ATOM 1424 CD ARG A 92 86.454 -12.912 0.132 1.00 0.00 C ATOM 1425 NE ARG A 92 85.383 -13.261 -0.844 1.00 0.00 N ATOM 1426 CZ ARG A 92 84.199 -13.605 -0.418 1.00 0.00 C ATOM 1427 NH1 ARG A 92 83.952 -13.645 0.863 1.00 0.00 N ATOM 1428 NH2 ARG A 92 83.261 -13.910 -1.273 1.00 0.00 N ATOM 0 H ARG A 92 87.543 -10.708 -0.658 1.00 0.00 H new ATOM 0 HA ARG A 92 89.758 -10.943 1.360 1.00 0.00 H new ATOM 0 HB2 ARG A 92 89.805 -13.322 0.242 1.00 0.00 H new ATOM 0 HB3 ARG A 92 88.600 -12.962 1.463 1.00 0.00 H new ATOM 0 HG2 ARG A 92 87.866 -12.282 -1.378 1.00 0.00 H new ATOM 0 HG3 ARG A 92 87.959 -13.988 -0.987 1.00 0.00 H new ATOM 0 HD2 ARG A 92 86.421 -13.593 0.983 1.00 0.00 H new ATOM 0 HD3 ARG A 92 86.292 -11.907 0.521 1.00 0.00 H new ATOM 0 HE ARG A 92 85.576 -13.231 -1.845 1.00 0.00 H new ATOM 0 HH11 ARG A 92 84.685 -13.407 1.531 1.00 0.00 H new ATOM 0 HH12 ARG A 92 83.026 -13.914 1.196 1.00 0.00 H new ATOM 0 HH21 ARG A 92 83.454 -13.879 -2.274 1.00 0.00 H new ATOM 0 HH22 ARG A 92 82.335 -14.179 -0.940 1.00 0.00 H new ATOM 1442 N TYR A 93 91.581 -10.854 -0.406 1.00 0.00 N ATOM 1443 CA TYR A 93 92.601 -10.594 -1.456 1.00 0.00 C ATOM 1444 C TYR A 93 93.547 -11.780 -1.591 1.00 0.00 C ATOM 1445 O TYR A 93 93.652 -12.619 -0.721 1.00 0.00 O ATOM 1446 CB TYR A 93 93.415 -9.361 -1.069 1.00 0.00 C ATOM 1447 CG TYR A 93 92.492 -8.178 -0.950 1.00 0.00 C ATOM 1448 CD1 TYR A 93 91.548 -8.126 0.084 1.00 0.00 C ATOM 1449 CD2 TYR A 93 92.575 -7.136 -1.877 1.00 0.00 C ATOM 1450 CE1 TYR A 93 90.689 -7.031 0.189 1.00 0.00 C ATOM 1451 CE2 TYR A 93 91.715 -6.043 -1.772 1.00 0.00 C ATOM 1452 CZ TYR A 93 90.773 -5.990 -0.741 1.00 0.00 C ATOM 1453 OH TYR A 93 89.938 -4.906 -0.639 1.00 0.00 O ATOM 0 H TYR A 93 91.946 -10.917 0.545 1.00 0.00 H new ATOM 0 HA TYR A 93 92.091 -10.434 -2.406 1.00 0.00 H new ATOM 0 HB2 TYR A 93 93.930 -9.532 -0.124 1.00 0.00 H new ATOM 0 HB3 TYR A 93 94.181 -9.166 -1.819 1.00 0.00 H new ATOM 0 HD1 TYR A 93 91.485 -8.933 0.799 1.00 0.00 H new ATOM 0 HD2 TYR A 93 93.304 -7.177 -2.673 1.00 0.00 H new ATOM 0 HE1 TYR A 93 89.962 -6.988 0.986 1.00 0.00 H new ATOM 0 HE2 TYR A 93 91.777 -5.237 -2.488 1.00 0.00 H new ATOM 0 HH TYR A 93 89.608 -4.832 0.281 1.00 0.00 H new ATOM 1463 N LYS A 94 94.254 -11.823 -2.678 1.00 0.00 N ATOM 1464 CA LYS A 94 95.235 -12.911 -2.915 1.00 0.00 C ATOM 1465 C LYS A 94 96.602 -12.257 -3.070 1.00 0.00 C ATOM 1466 O LYS A 94 96.736 -11.238 -3.720 1.00 0.00 O ATOM 1467 CB LYS A 94 94.869 -13.670 -4.197 1.00 0.00 C ATOM 1468 CG LYS A 94 94.105 -14.947 -3.836 1.00 0.00 C ATOM 1469 CD LYS A 94 95.075 -15.985 -3.245 1.00 0.00 C ATOM 1470 CE LYS A 94 95.248 -17.152 -4.222 1.00 0.00 C ATOM 1471 NZ LYS A 94 95.556 -16.621 -5.580 1.00 0.00 N ATOM 0 H LYS A 94 94.193 -11.135 -3.429 1.00 0.00 H new ATOM 0 HA LYS A 94 95.237 -13.621 -2.088 1.00 0.00 H new ATOM 0 HB2 LYS A 94 94.259 -13.039 -4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 94 95.772 -13.919 -4.755 1.00 0.00 H new ATOM 0 HG2 LYS A 94 93.318 -14.720 -3.117 1.00 0.00 H new ATOM 0 HG3 LYS A 94 93.619 -15.354 -4.723 1.00 0.00 H new ATOM 0 HD2 LYS A 94 96.041 -15.521 -3.045 1.00 0.00 H new ATOM 0 HD3 LYS A 94 94.693 -16.351 -2.292 1.00 0.00 H new ATOM 0 HE2 LYS A 94 96.052 -17.807 -3.885 1.00 0.00 H new ATOM 0 HE3 LYS A 94 94.339 -17.753 -4.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 96.059 -17.346 -6.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 94.670 -16.372 -6.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 96.154 -15.774 -5.494 1.00 0.00 H new ATOM 1485 N GLU A 95 97.610 -12.815 -2.469 1.00 0.00 N ATOM 1486 CA GLU A 95 98.961 -12.203 -2.571 1.00 0.00 C ATOM 1487 C GLU A 95 99.713 -12.820 -3.755 1.00 0.00 C ATOM 1488 O GLU A 95 99.872 -14.021 -3.847 1.00 0.00 O ATOM 1489 CB GLU A 95 99.719 -12.449 -1.254 1.00 0.00 C ATOM 1490 CG GLU A 95 100.553 -13.726 -1.349 1.00 0.00 C ATOM 1491 CD GLU A 95 101.078 -14.098 0.039 1.00 0.00 C ATOM 1492 OE1 GLU A 95 100.458 -13.699 1.012 1.00 0.00 O ATOM 1493 OE2 GLU A 95 102.090 -14.776 0.106 1.00 0.00 O ATOM 0 H GLU A 95 97.558 -13.668 -1.912 1.00 0.00 H new ATOM 0 HA GLU A 95 98.879 -11.129 -2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 95 100.367 -11.600 -1.036 1.00 0.00 H new ATOM 0 HB3 GLU A 95 99.011 -12.530 -0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 95 99.948 -14.539 -1.750 1.00 0.00 H new ATOM 0 HG3 GLU A 95 101.386 -13.579 -2.037 1.00 0.00 H new ATOM 1500 N LYS A 96 100.176 -12.006 -4.665 1.00 0.00 N ATOM 1501 CA LYS A 96 100.920 -12.546 -5.840 1.00 0.00 C ATOM 1502 C LYS A 96 102.385 -12.126 -5.736 1.00 0.00 C ATOM 1503 O LYS A 96 102.725 -10.979 -5.928 1.00 0.00 O ATOM 1504 CB LYS A 96 100.315 -11.971 -7.125 1.00 0.00 C ATOM 1505 CG LYS A 96 100.758 -12.812 -8.330 1.00 0.00 C ATOM 1506 CD LYS A 96 99.781 -13.973 -8.540 1.00 0.00 C ATOM 1507 CE LYS A 96 100.412 -15.011 -9.469 1.00 0.00 C ATOM 1508 NZ LYS A 96 101.652 -15.550 -8.842 1.00 0.00 N ATOM 0 H LYS A 96 100.072 -10.992 -4.646 1.00 0.00 H new ATOM 0 HA LYS A 96 100.850 -13.634 -5.858 1.00 0.00 H new ATOM 0 HB2 LYS A 96 99.227 -11.965 -7.055 1.00 0.00 H new ATOM 0 HB3 LYS A 96 100.632 -10.936 -7.256 1.00 0.00 H new ATOM 0 HG2 LYS A 96 100.796 -12.190 -9.225 1.00 0.00 H new ATOM 0 HG3 LYS A 96 101.765 -13.197 -8.166 1.00 0.00 H new ATOM 0 HD2 LYS A 96 99.532 -14.430 -7.582 1.00 0.00 H new ATOM 0 HD3 LYS A 96 98.849 -13.605 -8.969 1.00 0.00 H new ATOM 0 HE2 LYS A 96 99.707 -15.820 -9.660 1.00 0.00 H new ATOM 0 HE3 LYS A 96 100.646 -14.558 -10.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 101.653 -16.588 -8.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 102.484 -15.170 -9.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 101.685 -15.269 -7.841 1.00 0.00 H new ATOM 1522 N ARG A 97 103.255 -13.047 -5.435 1.00 0.00 N ATOM 1523 CA ARG A 97 104.700 -12.698 -5.313 1.00 0.00 C ATOM 1524 C ARG A 97 105.315 -12.480 -6.697 1.00 0.00 C ATOM 1525 O ARG A 97 105.506 -13.412 -7.454 1.00 0.00 O ATOM 1526 CB ARG A 97 105.444 -13.838 -4.608 1.00 0.00 C ATOM 1527 CG ARG A 97 106.951 -13.703 -4.857 1.00 0.00 C ATOM 1528 CD ARG A 97 107.719 -14.515 -3.813 1.00 0.00 C ATOM 1529 NE ARG A 97 107.096 -15.861 -3.674 1.00 0.00 N ATOM 1530 CZ ARG A 97 107.570 -16.713 -2.807 1.00 0.00 C ATOM 1531 NH1 ARG A 97 108.591 -16.387 -2.061 1.00 0.00 N ATOM 1532 NH2 ARG A 97 107.024 -17.892 -2.685 1.00 0.00 N ATOM 0 H ARG A 97 103.030 -14.028 -5.268 1.00 0.00 H new ATOM 0 HA ARG A 97 104.790 -11.779 -4.734 1.00 0.00 H new ATOM 0 HB2 ARG A 97 105.239 -13.812 -3.538 1.00 0.00 H new ATOM 0 HB3 ARG A 97 105.089 -14.800 -4.978 1.00 0.00 H new ATOM 0 HG2 ARG A 97 107.197 -14.055 -5.859 1.00 0.00 H new ATOM 0 HG3 ARG A 97 107.246 -12.655 -4.806 1.00 0.00 H new ATOM 0 HD2 ARG A 97 108.763 -14.615 -4.110 1.00 0.00 H new ATOM 0 HD3 ARG A 97 107.709 -13.997 -2.854 1.00 0.00 H new ATOM 0 HE ARG A 97 106.299 -16.117 -4.257 1.00 0.00 H new ATOM 0 HH11 ARG A 97 109.018 -15.466 -2.156 1.00 0.00 H new ATOM 0 HH12 ARG A 97 108.961 -17.054 -1.383 1.00 0.00 H new ATOM 0 HH21 ARG A 97 106.227 -18.148 -3.267 1.00 0.00 H new ATOM 0 HH22 ARG A 97 107.395 -18.558 -2.007 1.00 0.00 H new ATOM 1546 N GLN A 98 105.653 -11.259 -7.022 1.00 0.00 N ATOM 1547 CA GLN A 98 106.287 -10.979 -8.343 1.00 0.00 C ATOM 1548 C GLN A 98 107.646 -10.318 -8.088 1.00 0.00 C ATOM 1549 O GLN A 98 107.951 -9.933 -6.982 1.00 0.00 O ATOM 1550 CB GLN A 98 105.384 -10.041 -9.157 1.00 0.00 C ATOM 1551 CG GLN A 98 104.553 -10.857 -10.153 1.00 0.00 C ATOM 1552 CD GLN A 98 105.435 -11.288 -11.326 1.00 0.00 C ATOM 1553 OE1 GLN A 98 106.732 -11.294 -11.184 1.00 0.00 O flip ATOM 1554 NE2 GLN A 98 104.938 -11.623 -12.383 1.00 0.00 N flip ATOM 0 H GLN A 98 105.516 -10.442 -6.427 1.00 0.00 H new ATOM 0 HA GLN A 98 106.423 -11.902 -8.907 1.00 0.00 H new ATOM 0 HB2 GLN A 98 104.726 -9.485 -8.489 1.00 0.00 H new ATOM 0 HB3 GLN A 98 105.991 -9.308 -9.689 1.00 0.00 H new ATOM 0 HG2 GLN A 98 104.133 -11.733 -9.659 1.00 0.00 H new ATOM 0 HG3 GLN A 98 103.714 -10.263 -10.515 1.00 0.00 H new ATOM 0 HE21 GLN A 98 103.924 -11.618 -12.494 1.00 0.00 H new ATOM 0 HE22 GLN A 98 105.535 -11.909 -13.159 1.00 0.00 H new ATOM 1563 N ASN A 99 108.461 -10.184 -9.098 1.00 0.00 N ATOM 1564 CA ASN A 99 109.800 -9.539 -8.911 1.00 0.00 C ATOM 1565 C ASN A 99 109.969 -8.457 -9.966 1.00 0.00 C ATOM 1566 O ASN A 99 110.141 -8.738 -11.135 1.00 0.00 O ATOM 1567 CB ASN A 99 110.902 -10.589 -9.071 1.00 0.00 C ATOM 1568 CG ASN A 99 110.545 -11.832 -8.254 1.00 0.00 C ATOM 1569 OD1 ASN A 99 109.770 -11.712 -7.211 1.00 0.00 O flip ATOM 1570 ND2 ASN A 99 110.977 -12.924 -8.568 1.00 0.00 N flip ATOM 0 H ASN A 99 108.260 -10.493 -10.049 1.00 0.00 H new ATOM 0 HA ASN A 99 109.868 -9.102 -7.915 1.00 0.00 H new ATOM 0 HB2 ASN A 99 111.018 -10.853 -10.122 1.00 0.00 H new ATOM 0 HB3 ASN A 99 111.857 -10.183 -8.737 1.00 0.00 H new ATOM 0 HD21 ASN A 99 111.583 -13.018 -9.383 1.00 0.00 H new ATOM 0 HD22 ASN A 99 110.734 -13.747 -8.016 1.00 0.00 H new ATOM 1577 N LYS A 100 109.919 -7.220 -9.563 1.00 0.00 N ATOM 1578 CA LYS A 100 110.065 -6.110 -10.544 1.00 0.00 C ATOM 1579 C LYS A 100 110.572 -4.865 -9.820 1.00 0.00 C ATOM 1580 O LYS A 100 110.381 -4.707 -8.632 1.00 0.00 O ATOM 1581 CB LYS A 100 108.703 -5.804 -11.190 1.00 0.00 C ATOM 1582 CG LYS A 100 107.859 -7.081 -11.286 1.00 0.00 C ATOM 1583 CD LYS A 100 106.498 -6.749 -11.901 1.00 0.00 C ATOM 1584 CE LYS A 100 105.922 -7.991 -12.588 1.00 0.00 C ATOM 1585 NZ LYS A 100 106.571 -8.168 -13.918 1.00 0.00 N ATOM 0 H LYS A 100 109.783 -6.929 -8.595 1.00 0.00 H new ATOM 0 HA LYS A 100 110.773 -6.402 -11.319 1.00 0.00 H new ATOM 0 HB2 LYS A 100 108.174 -5.054 -10.602 1.00 0.00 H new ATOM 0 HB3 LYS A 100 108.851 -5.383 -12.184 1.00 0.00 H new ATOM 0 HG2 LYS A 100 108.373 -7.824 -11.895 1.00 0.00 H new ATOM 0 HG3 LYS A 100 107.726 -7.517 -10.296 1.00 0.00 H new ATOM 0 HD2 LYS A 100 105.814 -6.400 -11.127 1.00 0.00 H new ATOM 0 HD3 LYS A 100 106.603 -5.939 -12.622 1.00 0.00 H new ATOM 0 HE2 LYS A 100 106.089 -8.873 -11.969 1.00 0.00 H new ATOM 0 HE3 LYS A 100 104.844 -7.886 -12.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 106.602 -9.180 -14.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 106.025 -7.657 -14.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 107.540 -7.791 -13.885 1.00 0.00 H new ATOM 1599 N SER A 101 111.203 -3.972 -10.529 1.00 0.00 N ATOM 1600 CA SER A 101 111.707 -2.733 -9.877 1.00 0.00 C ATOM 1601 C SER A 101 110.548 -1.746 -9.793 1.00 0.00 C ATOM 1602 O SER A 101 110.010 -1.328 -10.794 1.00 0.00 O ATOM 1603 CB SER A 101 112.845 -2.139 -10.712 1.00 0.00 C ATOM 1604 OG SER A 101 113.513 -3.186 -11.405 1.00 0.00 O ATOM 0 H SER A 101 111.391 -4.046 -11.529 1.00 0.00 H new ATOM 0 HA SER A 101 112.089 -2.951 -8.880 1.00 0.00 H new ATOM 0 HB2 SER A 101 112.450 -1.411 -11.421 1.00 0.00 H new ATOM 0 HB3 SER A 101 113.546 -1.608 -10.068 1.00 0.00 H new ATOM 0 HG SER A 101 114.242 -2.810 -11.942 1.00 0.00 H new ATOM 1610 N TYR A 102 110.130 -1.399 -8.608 1.00 0.00 N ATOM 1611 CA TYR A 102 108.971 -0.476 -8.471 1.00 0.00 C ATOM 1612 C TYR A 102 109.432 0.935 -8.177 1.00 0.00 C ATOM 1613 O TYR A 102 110.607 1.227 -8.158 1.00 0.00 O ATOM 1614 CB TYR A 102 108.126 -0.941 -7.296 1.00 0.00 C ATOM 1615 CG TYR A 102 109.035 -1.213 -6.114 1.00 0.00 C ATOM 1616 CD1 TYR A 102 109.846 -0.197 -5.575 1.00 0.00 C ATOM 1617 CD2 TYR A 102 109.067 -2.487 -5.552 1.00 0.00 C ATOM 1618 CE1 TYR A 102 110.676 -0.469 -4.481 1.00 0.00 C ATOM 1619 CE2 TYR A 102 109.892 -2.753 -4.457 1.00 0.00 C ATOM 1620 CZ TYR A 102 110.696 -1.746 -3.921 1.00 0.00 C ATOM 1621 OH TYR A 102 111.515 -2.016 -2.845 1.00 0.00 O ATOM 0 H TYR A 102 110.541 -1.715 -7.729 1.00 0.00 H new ATOM 0 HA TYR A 102 108.408 -0.483 -9.404 1.00 0.00 H new ATOM 0 HB2 TYR A 102 107.389 -0.181 -7.038 1.00 0.00 H new ATOM 0 HB3 TYR A 102 107.574 -1.842 -7.562 1.00 0.00 H new ATOM 0 HD1 TYR A 102 109.828 0.793 -6.006 1.00 0.00 H new ATOM 0 HD2 TYR A 102 108.451 -3.272 -5.965 1.00 0.00 H new ATOM 0 HE1 TYR A 102 111.301 0.310 -4.071 1.00 0.00 H new ATOM 0 HE2 TYR A 102 109.908 -3.742 -4.023 1.00 0.00 H new ATOM 0 HH TYR A 102 111.111 -2.719 -2.294 1.00 0.00 H new ATOM 1631 N VAL A 103 108.492 1.805 -7.920 1.00 0.00 N ATOM 1632 CA VAL A 103 108.829 3.214 -7.590 1.00 0.00 C ATOM 1633 C VAL A 103 108.100 3.621 -6.327 1.00 0.00 C ATOM 1634 O VAL A 103 106.896 3.772 -6.312 1.00 0.00 O ATOM 1635 CB VAL A 103 108.393 4.125 -8.722 1.00 0.00 C ATOM 1636 CG1 VAL A 103 109.335 5.334 -8.823 1.00 0.00 C ATOM 1637 CG2 VAL A 103 108.415 3.317 -10.007 1.00 0.00 C ATOM 0 H VAL A 103 107.494 1.594 -7.926 1.00 0.00 H new ATOM 0 HA VAL A 103 109.906 3.299 -7.445 1.00 0.00 H new ATOM 0 HB VAL A 103 107.388 4.505 -8.540 1.00 0.00 H new ATOM 0 HG11 VAL A 103 109.011 5.980 -9.639 1.00 0.00 H new ATOM 0 HG12 VAL A 103 109.312 5.892 -7.887 1.00 0.00 H new ATOM 0 HG13 VAL A 103 110.351 4.989 -9.015 1.00 0.00 H new ATOM 0 HG21 VAL A 103 108.105 3.949 -10.839 1.00 0.00 H new ATOM 0 HG22 VAL A 103 109.425 2.948 -10.188 1.00 0.00 H new ATOM 0 HG23 VAL A 103 107.731 2.473 -9.918 1.00 0.00 H new ATOM 1647 N VAL A 104 108.823 3.813 -5.274 1.00 0.00 N ATOM 1648 CA VAL A 104 108.181 4.232 -3.999 1.00 0.00 C ATOM 1649 C VAL A 104 108.616 5.667 -3.682 1.00 0.00 C ATOM 1650 O VAL A 104 109.718 6.071 -3.993 1.00 0.00 O ATOM 1651 CB VAL A 104 108.565 3.255 -2.862 1.00 0.00 C ATOM 1652 CG1 VAL A 104 109.523 2.187 -3.388 1.00 0.00 C ATOM 1653 CG2 VAL A 104 109.230 4.004 -1.704 1.00 0.00 C ATOM 0 H VAL A 104 109.836 3.699 -5.234 1.00 0.00 H new ATOM 0 HA VAL A 104 107.095 4.206 -4.094 1.00 0.00 H new ATOM 0 HB VAL A 104 107.652 2.782 -2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 104 109.787 1.505 -2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 104 109.041 1.629 -4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 104 110.426 2.664 -3.769 1.00 0.00 H new ATOM 0 HG21 VAL A 104 109.491 3.298 -0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 104 110.133 4.499 -2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 104 108.540 4.749 -1.309 1.00 0.00 H new ATOM 1663 N ALA A 105 107.757 6.444 -3.073 1.00 0.00 N ATOM 1664 CA ALA A 105 108.127 7.848 -2.752 1.00 0.00 C ATOM 1665 C ALA A 105 108.725 7.893 -1.353 1.00 0.00 C ATOM 1666 O ALA A 105 108.655 6.932 -0.613 1.00 0.00 O ATOM 1667 CB ALA A 105 106.884 8.739 -2.817 1.00 0.00 C ATOM 0 H ALA A 105 106.819 6.165 -2.786 1.00 0.00 H new ATOM 0 HA ALA A 105 108.858 8.212 -3.475 1.00 0.00 H new ATOM 0 HB1 ALA A 105 107.160 9.767 -2.581 1.00 0.00 H new ATOM 0 HB2 ALA A 105 106.459 8.699 -3.820 1.00 0.00 H new ATOM 0 HB3 ALA A 105 106.146 8.387 -2.096 1.00 0.00 H new ATOM 1673 N CYS A 106 109.348 8.982 -0.993 1.00 0.00 N ATOM 1674 CA CYS A 106 109.983 9.046 0.361 1.00 0.00 C ATOM 1675 C CYS A 106 109.550 10.301 1.125 1.00 0.00 C ATOM 1676 O CYS A 106 109.180 11.303 0.546 1.00 0.00 O ATOM 1677 CB CYS A 106 111.509 9.044 0.198 1.00 0.00 C ATOM 1678 SG CYS A 106 111.933 8.696 -1.525 1.00 0.00 S ATOM 0 H CYS A 106 109.446 9.820 -1.566 1.00 0.00 H new ATOM 0 HA CYS A 106 109.661 8.177 0.935 1.00 0.00 H new ATOM 0 HB2 CYS A 106 111.918 10.009 0.496 1.00 0.00 H new ATOM 0 HB3 CYS A 106 111.954 8.294 0.852 1.00 0.00 H new ATOM 1683 N LYS A 107 109.607 10.244 2.435 1.00 0.00 N ATOM 1684 CA LYS A 107 109.214 11.423 3.261 1.00 0.00 C ATOM 1685 C LYS A 107 110.010 11.417 4.572 1.00 0.00 C ATOM 1686 O LYS A 107 110.534 10.399 4.990 1.00 0.00 O ATOM 1687 CB LYS A 107 107.714 11.349 3.576 1.00 0.00 C ATOM 1688 CG LYS A 107 106.930 12.102 2.500 1.00 0.00 C ATOM 1689 CD LYS A 107 105.447 12.149 2.880 1.00 0.00 C ATOM 1690 CE LYS A 107 104.609 12.458 1.638 1.00 0.00 C ATOM 1691 NZ LYS A 107 103.171 12.548 2.019 1.00 0.00 N ATOM 0 H LYS A 107 109.910 9.428 2.966 1.00 0.00 H new ATOM 0 HA LYS A 107 109.426 12.339 2.710 1.00 0.00 H new ATOM 0 HB2 LYS A 107 107.391 10.309 3.616 1.00 0.00 H new ATOM 0 HB3 LYS A 107 107.515 11.782 4.556 1.00 0.00 H new ATOM 0 HG2 LYS A 107 107.320 13.114 2.393 1.00 0.00 H new ATOM 0 HG3 LYS A 107 107.053 11.610 1.535 1.00 0.00 H new ATOM 0 HD2 LYS A 107 105.141 11.195 3.310 1.00 0.00 H new ATOM 0 HD3 LYS A 107 105.280 12.910 3.642 1.00 0.00 H new ATOM 0 HE2 LYS A 107 104.937 13.396 1.189 1.00 0.00 H new ATOM 0 HE3 LYS A 107 104.750 11.679 0.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 102.601 12.758 1.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 102.863 11.643 2.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 103.044 13.306 2.720 1.00 0.00 H new ATOM 1705 N PRO A 108 110.094 12.551 5.219 1.00 0.00 N ATOM 1706 CA PRO A 108 110.826 12.683 6.510 1.00 0.00 C ATOM 1707 C PRO A 108 110.131 11.912 7.648 1.00 0.00 C ATOM 1708 O PRO A 108 108.929 11.990 7.808 1.00 0.00 O ATOM 1709 CB PRO A 108 110.809 14.192 6.794 1.00 0.00 C ATOM 1710 CG PRO A 108 109.651 14.728 6.019 1.00 0.00 C ATOM 1711 CD PRO A 108 109.508 13.833 4.789 1.00 0.00 C ATOM 0 HA PRO A 108 111.832 12.268 6.450 1.00 0.00 H new ATOM 0 HB2 PRO A 108 110.694 14.390 7.860 1.00 0.00 H new ATOM 0 HB3 PRO A 108 111.742 14.661 6.481 1.00 0.00 H new ATOM 0 HG2 PRO A 108 108.741 14.713 6.619 1.00 0.00 H new ATOM 0 HG3 PRO A 108 109.824 15.764 5.728 1.00 0.00 H new ATOM 0 HD2 PRO A 108 108.464 13.718 4.497 1.00 0.00 H new ATOM 0 HD3 PRO A 108 110.036 14.246 3.930 1.00 0.00 H new ATOM 1719 N PRO A 109 110.881 11.183 8.436 1.00 0.00 N ATOM 1720 CA PRO A 109 110.326 10.401 9.578 1.00 0.00 C ATOM 1721 C PRO A 109 109.369 11.251 10.426 1.00 0.00 C ATOM 1722 O PRO A 109 109.787 12.103 11.184 1.00 0.00 O ATOM 1723 CB PRO A 109 111.569 10.002 10.385 1.00 0.00 C ATOM 1724 CG PRO A 109 112.718 10.057 9.434 1.00 0.00 C ATOM 1725 CD PRO A 109 112.337 11.034 8.324 1.00 0.00 C ATOM 0 HA PRO A 109 109.740 9.543 9.250 1.00 0.00 H new ATOM 0 HB2 PRO A 109 111.724 10.682 11.223 1.00 0.00 H new ATOM 0 HB3 PRO A 109 111.457 9.002 10.803 1.00 0.00 H new ATOM 0 HG2 PRO A 109 113.624 10.387 9.943 1.00 0.00 H new ATOM 0 HG3 PRO A 109 112.925 9.069 9.023 1.00 0.00 H new ATOM 0 HD2 PRO A 109 112.843 11.991 8.449 1.00 0.00 H new ATOM 0 HD3 PRO A 109 112.621 10.649 7.344 1.00 0.00 H new ATOM 1733 N GLN A 110 108.086 11.032 10.291 1.00 0.00 N ATOM 1734 CA GLN A 110 107.101 11.834 11.076 1.00 0.00 C ATOM 1735 C GLN A 110 107.529 11.883 12.543 1.00 0.00 C ATOM 1736 O GLN A 110 108.339 12.698 12.939 1.00 0.00 O ATOM 1737 CB GLN A 110 105.717 11.184 10.978 1.00 0.00 C ATOM 1738 CG GLN A 110 105.332 10.999 9.511 1.00 0.00 C ATOM 1739 CD GLN A 110 104.876 12.338 8.926 1.00 0.00 C ATOM 1740 OE1 GLN A 110 104.951 13.416 9.657 1.00 0.00 O flip ATOM 1741 NE2 GLN A 110 104.448 12.403 7.790 1.00 0.00 N flip ATOM 0 H GLN A 110 107.678 10.332 9.671 1.00 0.00 H new ATOM 0 HA GLN A 110 107.061 12.846 10.673 1.00 0.00 H new ATOM 0 HB2 GLN A 110 105.722 10.220 11.486 1.00 0.00 H new ATOM 0 HB3 GLN A 110 104.977 11.806 11.482 1.00 0.00 H new ATOM 0 HG2 GLN A 110 106.182 10.615 8.947 1.00 0.00 H new ATOM 0 HG3 GLN A 110 104.533 10.262 9.424 1.00 0.00 H new ATOM 0 HE21 GLN A 110 104.389 11.560 7.218 1.00 0.00 H new ATOM 0 HE22 GLN A 110 104.148 13.300 7.409 1.00 0.00 H new ATOM 1750 N LYS A 111 106.991 11.009 13.348 1.00 0.00 N ATOM 1751 CA LYS A 111 107.356 10.979 14.790 1.00 0.00 C ATOM 1752 C LYS A 111 107.698 9.542 15.163 1.00 0.00 C ATOM 1753 O LYS A 111 108.569 9.289 15.972 1.00 0.00 O ATOM 1754 CB LYS A 111 106.175 11.466 15.638 1.00 0.00 C ATOM 1755 CG LYS A 111 104.852 11.016 15.001 1.00 0.00 C ATOM 1756 CD LYS A 111 104.300 12.132 14.104 1.00 0.00 C ATOM 1757 CE LYS A 111 103.509 13.134 14.950 1.00 0.00 C ATOM 1758 NZ LYS A 111 103.426 14.435 14.226 1.00 0.00 N ATOM 0 H LYS A 111 106.307 10.308 13.064 1.00 0.00 H new ATOM 0 HA LYS A 111 108.209 11.632 14.975 1.00 0.00 H new ATOM 0 HB2 LYS A 111 106.255 11.069 16.650 1.00 0.00 H new ATOM 0 HB3 LYS A 111 106.198 12.553 15.719 1.00 0.00 H new ATOM 0 HG2 LYS A 111 105.010 10.111 14.415 1.00 0.00 H new ATOM 0 HG3 LYS A 111 104.129 10.771 15.778 1.00 0.00 H new ATOM 0 HD2 LYS A 111 105.119 12.639 13.594 1.00 0.00 H new ATOM 0 HD3 LYS A 111 103.658 11.707 13.332 1.00 0.00 H new ATOM 0 HE2 LYS A 111 102.508 12.750 15.147 1.00 0.00 H new ATOM 0 HE3 LYS A 111 103.993 13.273 15.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 103.041 15.162 14.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 104.376 14.718 13.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 102.803 14.333 13.400 1.00 0.00 H new ATOM 1772 N LYS A 112 107.028 8.592 14.567 1.00 0.00 N ATOM 1773 CA LYS A 112 107.331 7.178 14.880 1.00 0.00 C ATOM 1774 C LYS A 112 108.791 6.910 14.514 1.00 0.00 C ATOM 1775 O LYS A 112 109.490 6.203 15.210 1.00 0.00 O ATOM 1776 CB LYS A 112 106.394 6.268 14.072 1.00 0.00 C ATOM 1777 CG LYS A 112 105.943 5.092 14.936 1.00 0.00 C ATOM 1778 CD LYS A 112 107.115 4.133 15.152 1.00 0.00 C ATOM 1779 CE LYS A 112 106.614 2.859 15.835 1.00 0.00 C ATOM 1780 NZ LYS A 112 106.115 3.191 17.200 1.00 0.00 N ATOM 0 H LYS A 112 106.288 8.739 13.881 1.00 0.00 H new ATOM 0 HA LYS A 112 107.179 6.974 15.940 1.00 0.00 H new ATOM 0 HB2 LYS A 112 105.527 6.834 13.731 1.00 0.00 H new ATOM 0 HB3 LYS A 112 106.906 5.902 13.182 1.00 0.00 H new ATOM 0 HG2 LYS A 112 105.575 5.454 15.896 1.00 0.00 H new ATOM 0 HG3 LYS A 112 105.117 4.569 14.454 1.00 0.00 H new ATOM 0 HD2 LYS A 112 107.579 3.888 14.196 1.00 0.00 H new ATOM 0 HD3 LYS A 112 107.880 4.610 15.765 1.00 0.00 H new ATOM 0 HE2 LYS A 112 105.817 2.406 15.245 1.00 0.00 H new ATOM 0 HE3 LYS A 112 107.419 2.127 15.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 105.949 2.313 17.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 106.822 3.769 17.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 105.225 3.723 17.124 1.00 0.00 H new ATOM 1794 N ASP A 113 109.256 7.497 13.433 1.00 0.00 N ATOM 1795 CA ASP A 113 110.677 7.319 13.005 1.00 0.00 C ATOM 1796 C ASP A 113 111.279 6.045 13.596 1.00 0.00 C ATOM 1797 O ASP A 113 111.688 6.013 14.740 1.00 0.00 O ATOM 1798 CB ASP A 113 111.491 8.521 13.482 1.00 0.00 C ATOM 1799 CG ASP A 113 112.957 8.319 13.105 1.00 0.00 C ATOM 1800 OD1 ASP A 113 113.202 7.785 12.036 1.00 0.00 O ATOM 1801 OD2 ASP A 113 113.809 8.700 13.890 1.00 0.00 O ATOM 0 H ASP A 113 108.701 8.099 12.824 1.00 0.00 H new ATOM 0 HA ASP A 113 110.703 7.240 11.918 1.00 0.00 H new ATOM 0 HB2 ASP A 113 111.110 9.436 13.029 1.00 0.00 H new ATOM 0 HB3 ASP A 113 111.394 8.636 14.562 1.00 0.00 H new ATOM 1806 N SER A 114 111.352 4.998 12.827 1.00 0.00 N ATOM 1807 CA SER A 114 111.938 3.741 13.357 1.00 0.00 C ATOM 1808 C SER A 114 113.400 3.985 13.733 1.00 0.00 C ATOM 1809 O SER A 114 113.947 3.322 14.591 1.00 0.00 O ATOM 1810 CB SER A 114 111.836 2.636 12.299 1.00 0.00 C ATOM 1811 OG SER A 114 110.796 1.738 12.663 1.00 0.00 O ATOM 0 H SER A 114 111.033 4.959 11.859 1.00 0.00 H new ATOM 0 HA SER A 114 111.390 3.425 14.244 1.00 0.00 H new ATOM 0 HB2 SER A 114 111.632 3.070 11.320 1.00 0.00 H new ATOM 0 HB3 SER A 114 112.783 2.102 12.220 1.00 0.00 H new ATOM 0 HG SER A 114 110.725 1.030 11.989 1.00 0.00 H new ATOM 1817 N GLN A 115 114.034 4.938 13.105 1.00 0.00 N ATOM 1818 CA GLN A 115 115.461 5.227 13.432 1.00 0.00 C ATOM 1819 C GLN A 115 115.773 6.697 13.148 1.00 0.00 C ATOM 1820 O GLN A 115 116.257 7.410 14.002 1.00 0.00 O ATOM 1821 CB GLN A 115 116.385 4.356 12.570 1.00 0.00 C ATOM 1822 CG GLN A 115 115.833 2.934 12.477 1.00 0.00 C ATOM 1823 CD GLN A 115 116.818 2.055 11.704 1.00 0.00 C ATOM 1824 OE1 GLN A 115 117.997 2.045 11.994 1.00 0.00 O ATOM 1825 NE2 GLN A 115 116.380 1.311 10.725 1.00 0.00 N ATOM 0 H GLN A 115 113.627 5.529 12.380 1.00 0.00 H new ATOM 0 HA GLN A 115 115.625 5.009 14.487 1.00 0.00 H new ATOM 0 HB2 GLN A 115 116.475 4.785 11.572 1.00 0.00 H new ATOM 0 HB3 GLN A 115 117.386 4.338 13.001 1.00 0.00 H new ATOM 0 HG2 GLN A 115 115.673 2.528 13.476 1.00 0.00 H new ATOM 0 HG3 GLN A 115 114.865 2.940 11.977 1.00 0.00 H new ATOM 0 HE21 GLN A 115 115.389 1.320 10.482 1.00 0.00 H new ATOM 0 HE22 GLN A 115 117.028 0.721 10.203 1.00 0.00 H new ATOM 1834 N GLN A 116 115.507 7.145 11.947 1.00 0.00 N ATOM 1835 CA GLN A 116 115.801 8.572 11.577 1.00 0.00 C ATOM 1836 C GLN A 116 115.867 8.716 10.051 1.00 0.00 C ATOM 1837 O GLN A 116 115.814 9.808 9.525 1.00 0.00 O ATOM 1838 CB GLN A 116 117.160 8.992 12.153 1.00 0.00 C ATOM 1839 CG GLN A 116 118.195 7.887 11.892 1.00 0.00 C ATOM 1840 CD GLN A 116 119.587 8.508 11.746 1.00 0.00 C ATOM 1841 OE1 GLN A 116 119.790 9.387 10.933 1.00 0.00 O ATOM 1842 NE2 GLN A 116 120.559 8.083 12.506 1.00 0.00 N ATOM 0 H GLN A 116 115.097 6.584 11.200 1.00 0.00 H new ATOM 0 HA GLN A 116 115.008 9.201 11.981 1.00 0.00 H new ATOM 0 HB2 GLN A 116 117.487 9.926 11.696 1.00 0.00 H new ATOM 0 HB3 GLN A 116 117.071 9.175 13.224 1.00 0.00 H new ATOM 0 HG2 GLN A 116 118.190 7.170 12.713 1.00 0.00 H new ATOM 0 HG3 GLN A 116 117.935 7.338 10.987 1.00 0.00 H new ATOM 0 HE21 GLN A 116 120.387 7.345 13.188 1.00 0.00 H new ATOM 0 HE22 GLN A 116 121.490 8.489 12.418 1.00 0.00 H new ATOM 1851 N PHE A 117 116.000 7.618 9.350 1.00 0.00 N ATOM 1852 CA PHE A 117 116.095 7.640 7.851 1.00 0.00 C ATOM 1853 C PHE A 117 116.222 9.065 7.303 1.00 0.00 C ATOM 1854 O PHE A 117 117.282 9.465 6.871 1.00 0.00 O ATOM 1855 CB PHE A 117 114.853 6.988 7.253 1.00 0.00 C ATOM 1856 CG PHE A 117 114.521 5.744 8.039 1.00 0.00 C ATOM 1857 CD1 PHE A 117 113.861 5.850 9.267 1.00 0.00 C ATOM 1858 CD2 PHE A 117 114.875 4.487 7.540 1.00 0.00 C ATOM 1859 CE1 PHE A 117 113.554 4.697 9.996 1.00 0.00 C ATOM 1860 CE2 PHE A 117 114.569 3.333 8.268 1.00 0.00 C ATOM 1861 CZ PHE A 117 113.907 3.438 9.497 1.00 0.00 C ATOM 0 H PHE A 117 116.048 6.685 9.760 1.00 0.00 H new ATOM 0 HA PHE A 117 116.993 7.089 7.571 1.00 0.00 H new ATOM 0 HB2 PHE A 117 114.014 7.684 7.278 1.00 0.00 H new ATOM 0 HB3 PHE A 117 115.027 6.736 6.207 1.00 0.00 H new ATOM 0 HD1 PHE A 117 113.589 6.822 9.652 1.00 0.00 H new ATOM 0 HD2 PHE A 117 115.385 4.407 6.591 1.00 0.00 H new ATOM 0 HE1 PHE A 117 113.044 4.778 10.945 1.00 0.00 H new ATOM 0 HE2 PHE A 117 114.843 2.362 7.883 1.00 0.00 H new ATOM 0 HZ PHE A 117 113.669 2.548 10.060 1.00 0.00 H new ATOM 1871 N HIS A 118 115.136 9.809 7.282 1.00 0.00 N ATOM 1872 CA HIS A 118 115.158 11.206 6.723 1.00 0.00 C ATOM 1873 C HIS A 118 114.602 11.137 5.306 1.00 0.00 C ATOM 1874 O HIS A 118 114.804 12.014 4.491 1.00 0.00 O ATOM 1875 CB HIS A 118 116.582 11.781 6.692 1.00 0.00 C ATOM 1876 CG HIS A 118 116.514 13.278 6.548 1.00 0.00 C ATOM 1877 ND1 HIS A 118 117.075 13.944 5.467 1.00 0.00 N ATOM 1878 CD2 HIS A 118 115.955 14.251 7.339 1.00 0.00 C ATOM 1879 CE1 HIS A 118 116.843 15.259 5.636 1.00 0.00 C ATOM 1880 NE2 HIS A 118 116.166 15.497 6.760 1.00 0.00 N ATOM 0 H HIS A 118 114.227 9.506 7.631 1.00 0.00 H new ATOM 0 HA HIS A 118 114.559 11.861 7.356 1.00 0.00 H new ATOM 0 HB2 HIS A 118 117.113 11.516 7.607 1.00 0.00 H new ATOM 0 HB3 HIS A 118 117.142 11.350 5.862 1.00 0.00 H new ATOM 0 HD2 HIS A 118 115.432 14.075 8.268 1.00 0.00 H new ATOM 0 HE1 HIS A 118 117.165 16.026 4.947 1.00 0.00 H new ATOM 0 HE2 HIS A 118 115.866 16.403 7.119 1.00 0.00 H new ATOM 1889 N LEU A 119 113.903 10.071 5.029 1.00 0.00 N ATOM 1890 CA LEU A 119 113.302 9.849 3.676 1.00 0.00 C ATOM 1891 C LEU A 119 112.634 8.476 3.689 1.00 0.00 C ATOM 1892 O LEU A 119 112.607 7.759 2.714 1.00 0.00 O ATOM 1893 CB LEU A 119 114.399 9.919 2.589 1.00 0.00 C ATOM 1894 CG LEU A 119 115.265 8.623 2.486 1.00 0.00 C ATOM 1895 CD1 LEU A 119 115.202 7.761 3.758 1.00 0.00 C ATOM 1896 CD2 LEU A 119 114.827 7.774 1.278 1.00 0.00 C ATOM 0 H LEU A 119 113.717 9.324 5.698 1.00 0.00 H new ATOM 0 HA LEU A 119 112.566 10.620 3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 119 113.930 10.109 1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 119 115.052 10.766 2.799 1.00 0.00 H new ATOM 0 HG LEU A 119 116.296 8.954 2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 119 115.823 6.875 3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 119 115.567 8.338 4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 119 114.171 7.458 3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 119 115.442 6.876 1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 119 113.781 7.491 1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 119 114.948 8.353 0.363 1.00 0.00 H new ATOM 1908 N VAL A 120 112.119 8.115 4.823 1.00 0.00 N ATOM 1909 CA VAL A 120 111.464 6.791 5.004 1.00 0.00 C ATOM 1910 C VAL A 120 110.676 6.384 3.749 1.00 0.00 C ATOM 1911 O VAL A 120 110.246 7.225 2.985 1.00 0.00 O ATOM 1912 CB VAL A 120 110.527 6.919 6.205 1.00 0.00 C ATOM 1913 CG1 VAL A 120 111.344 7.386 7.416 1.00 0.00 C ATOM 1914 CG2 VAL A 120 109.428 7.954 5.898 1.00 0.00 C ATOM 0 H VAL A 120 112.123 8.698 5.660 1.00 0.00 H new ATOM 0 HA VAL A 120 112.213 6.017 5.171 1.00 0.00 H new ATOM 0 HB VAL A 120 110.061 5.956 6.416 1.00 0.00 H new ATOM 0 HG11 VAL A 120 110.689 7.482 8.282 1.00 0.00 H new ATOM 0 HG12 VAL A 120 112.125 6.657 7.631 1.00 0.00 H new ATOM 0 HG13 VAL A 120 111.800 8.352 7.197 1.00 0.00 H new ATOM 0 HG21 VAL A 120 108.762 8.043 6.756 1.00 0.00 H new ATOM 0 HG22 VAL A 120 109.886 8.921 5.693 1.00 0.00 H new ATOM 0 HG23 VAL A 120 108.857 7.631 5.027 1.00 0.00 H new ATOM 1924 N PRO A 121 110.467 5.099 3.544 1.00 0.00 N ATOM 1925 CA PRO A 121 109.698 4.593 2.377 1.00 0.00 C ATOM 1926 C PRO A 121 108.212 4.785 2.649 1.00 0.00 C ATOM 1927 O PRO A 121 107.588 4.017 3.353 1.00 0.00 O ATOM 1928 CB PRO A 121 110.076 3.114 2.302 1.00 0.00 C ATOM 1929 CG PRO A 121 110.414 2.727 3.703 1.00 0.00 C ATOM 1930 CD PRO A 121 110.929 3.991 4.401 1.00 0.00 C ATOM 0 HA PRO A 121 109.914 5.106 1.440 1.00 0.00 H new ATOM 0 HB2 PRO A 121 109.251 2.515 1.916 1.00 0.00 H new ATOM 0 HB3 PRO A 121 110.923 2.957 1.634 1.00 0.00 H new ATOM 0 HG2 PRO A 121 109.538 2.332 4.217 1.00 0.00 H new ATOM 0 HG3 PRO A 121 111.171 1.943 3.715 1.00 0.00 H new ATOM 0 HD2 PRO A 121 110.530 4.077 5.411 1.00 0.00 H new ATOM 0 HD3 PRO A 121 112.016 3.982 4.487 1.00 0.00 H new ATOM 1938 N VAL A 122 107.667 5.855 2.158 1.00 0.00 N ATOM 1939 CA VAL A 122 106.248 6.177 2.445 1.00 0.00 C ATOM 1940 C VAL A 122 105.291 5.625 1.383 1.00 0.00 C ATOM 1941 O VAL A 122 104.648 4.619 1.588 1.00 0.00 O ATOM 1942 CB VAL A 122 106.128 7.713 2.562 1.00 0.00 C ATOM 1943 CG1 VAL A 122 107.316 8.370 1.870 1.00 0.00 C ATOM 1944 CG2 VAL A 122 104.846 8.225 1.910 1.00 0.00 C ATOM 0 H VAL A 122 108.149 6.529 1.563 1.00 0.00 H new ATOM 0 HA VAL A 122 105.955 5.697 3.379 1.00 0.00 H new ATOM 0 HB VAL A 122 106.109 7.965 3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 122 107.231 9.454 1.952 1.00 0.00 H new ATOM 0 HG12 VAL A 122 108.241 8.041 2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 122 107.327 8.086 0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 122 104.794 9.309 2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 122 104.844 7.958 0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 122 103.983 7.773 2.400 1.00 0.00 H new ATOM 1954 N HIS A 123 105.132 6.304 0.287 1.00 0.00 N ATOM 1955 CA HIS A 123 104.142 5.849 -0.730 1.00 0.00 C ATOM 1956 C HIS A 123 104.770 4.951 -1.787 1.00 0.00 C ATOM 1957 O HIS A 123 105.969 4.788 -1.869 1.00 0.00 O ATOM 1958 CB HIS A 123 103.548 7.083 -1.416 1.00 0.00 C ATOM 1959 CG HIS A 123 102.293 6.706 -2.154 1.00 0.00 C ATOM 1960 ND1 HIS A 123 102.322 6.074 -3.390 1.00 0.00 N ATOM 1961 CD2 HIS A 123 100.965 6.870 -1.848 1.00 0.00 C ATOM 1962 CE1 HIS A 123 101.047 5.884 -3.779 1.00 0.00 C ATOM 1963 NE2 HIS A 123 100.185 6.351 -2.875 1.00 0.00 N ATOM 0 H HIS A 123 105.642 7.154 0.048 1.00 0.00 H new ATOM 0 HA HIS A 123 103.375 5.269 -0.218 1.00 0.00 H new ATOM 0 HB2 HIS A 123 103.327 7.851 -0.674 1.00 0.00 H new ATOM 0 HB3 HIS A 123 104.274 7.509 -2.109 1.00 0.00 H new ATOM 0 HD2 HIS A 123 100.585 7.331 -0.948 1.00 0.00 H new ATOM 0 HE1 HIS A 123 100.759 5.412 -4.707 1.00 0.00 H new ATOM 0 HE2 HIS A 123 99.166 6.331 -2.926 1.00 0.00 H new ATOM 1972 N LEU A 124 103.933 4.393 -2.616 1.00 0.00 N ATOM 1973 CA LEU A 124 104.398 3.524 -3.724 1.00 0.00 C ATOM 1974 C LEU A 124 103.891 4.155 -5.018 1.00 0.00 C ATOM 1975 O LEU A 124 102.703 4.200 -5.267 1.00 0.00 O ATOM 1976 CB LEU A 124 103.818 2.118 -3.560 1.00 0.00 C ATOM 1977 CG LEU A 124 104.139 1.283 -4.821 1.00 0.00 C ATOM 1978 CD1 LEU A 124 104.656 -0.115 -4.433 1.00 0.00 C ATOM 1979 CD2 LEU A 124 102.880 1.144 -5.692 1.00 0.00 C ATOM 0 H LEU A 124 102.921 4.508 -2.567 1.00 0.00 H new ATOM 0 HA LEU A 124 105.485 3.439 -3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 124 104.239 1.639 -2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 124 102.740 2.172 -3.410 1.00 0.00 H new ATOM 0 HG LEU A 124 104.917 1.798 -5.385 1.00 0.00 H new ATOM 0 HD11 LEU A 124 104.876 -0.685 -5.336 1.00 0.00 H new ATOM 0 HD12 LEU A 124 105.563 -0.015 -3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 124 103.895 -0.636 -3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 124 103.114 0.555 -6.578 1.00 0.00 H new ATOM 0 HD22 LEU A 124 102.096 0.646 -5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 124 102.536 2.133 -5.994 1.00 0.00 H new ATOM 1991 N ASP A 125 104.765 4.684 -5.829 1.00 0.00 N ATOM 1992 CA ASP A 125 104.292 5.349 -7.073 1.00 0.00 C ATOM 1993 C ASP A 125 103.789 4.310 -8.076 1.00 0.00 C ATOM 1994 O ASP A 125 102.726 4.457 -8.646 1.00 0.00 O ATOM 1995 CB ASP A 125 105.436 6.167 -7.684 1.00 0.00 C ATOM 1996 CG ASP A 125 104.958 7.595 -7.955 1.00 0.00 C ATOM 1997 OD1 ASP A 125 104.459 8.217 -7.032 1.00 0.00 O ATOM 1998 OD2 ASP A 125 105.100 8.043 -9.082 1.00 0.00 O ATOM 0 H ASP A 125 105.775 4.685 -5.686 1.00 0.00 H new ATOM 0 HA ASP A 125 103.465 6.016 -6.828 1.00 0.00 H new ATOM 0 HB2 ASP A 125 106.289 6.181 -7.006 1.00 0.00 H new ATOM 0 HB3 ASP A 125 105.773 5.703 -8.611 1.00 0.00 H new ATOM 2003 N ARG A 126 104.533 3.266 -8.306 1.00 0.00 N ATOM 2004 CA ARG A 126 104.068 2.245 -9.284 1.00 0.00 C ATOM 2005 C ARG A 126 104.996 1.038 -9.278 1.00 0.00 C ATOM 2006 O ARG A 126 105.962 0.984 -8.549 1.00 0.00 O ATOM 2007 CB ARG A 126 104.036 2.846 -10.689 1.00 0.00 C ATOM 2008 CG ARG A 126 105.356 3.562 -11.004 1.00 0.00 C ATOM 2009 CD ARG A 126 105.093 4.730 -11.958 1.00 0.00 C ATOM 2010 NE ARG A 126 106.389 5.238 -12.491 1.00 0.00 N ATOM 2011 CZ ARG A 126 106.971 4.627 -13.486 1.00 0.00 C ATOM 2012 NH1 ARG A 126 106.418 3.570 -14.016 1.00 0.00 N ATOM 2013 NH2 ARG A 126 108.106 5.072 -13.951 1.00 0.00 N ATOM 0 H ARG A 126 105.433 3.076 -7.865 1.00 0.00 H new ATOM 0 HA ARG A 126 103.066 1.926 -8.997 1.00 0.00 H new ATOM 0 HB2 ARG A 126 103.860 2.059 -11.422 1.00 0.00 H new ATOM 0 HB3 ARG A 126 103.207 3.549 -10.770 1.00 0.00 H new ATOM 0 HG2 ARG A 126 105.812 3.927 -10.084 1.00 0.00 H new ATOM 0 HG3 ARG A 126 106.062 2.864 -11.454 1.00 0.00 H new ATOM 0 HD2 ARG A 126 104.452 4.406 -12.778 1.00 0.00 H new ATOM 0 HD3 ARG A 126 104.564 5.528 -11.436 1.00 0.00 H new ATOM 0 HE ARG A 126 106.821 6.064 -12.077 1.00 0.00 H new ATOM 0 HH11 ARG A 126 105.531 3.222 -13.652 1.00 0.00 H new ATOM 0 HH12 ARG A 126 106.873 3.092 -14.794 1.00 0.00 H new ATOM 0 HH21 ARG A 126 108.538 5.898 -13.537 1.00 0.00 H new ATOM 0 HH22 ARG A 126 108.561 4.594 -14.729 1.00 0.00 H new ATOM 2027 N VAL A 127 104.696 0.063 -10.092 1.00 0.00 N ATOM 2028 CA VAL A 127 105.544 -1.159 -10.155 1.00 0.00 C ATOM 2029 C VAL A 127 106.133 -1.283 -11.564 1.00 0.00 C ATOM 2030 O VAL A 127 105.436 -1.143 -12.549 1.00 0.00 O ATOM 2031 CB VAL A 127 104.682 -2.382 -9.826 1.00 0.00 C ATOM 2032 CG1 VAL A 127 105.495 -3.370 -8.991 1.00 0.00 C ATOM 2033 CG2 VAL A 127 103.463 -1.931 -9.018 1.00 0.00 C ATOM 0 H VAL A 127 103.893 0.062 -10.721 1.00 0.00 H new ATOM 0 HA VAL A 127 106.358 -1.095 -9.433 1.00 0.00 H new ATOM 0 HB VAL A 127 104.361 -2.862 -10.751 1.00 0.00 H new ATOM 0 HG11 VAL A 127 104.881 -4.240 -8.757 1.00 0.00 H new ATOM 0 HG12 VAL A 127 106.373 -3.686 -9.554 1.00 0.00 H new ATOM 0 HG13 VAL A 127 105.811 -2.890 -8.065 1.00 0.00 H new ATOM 0 HG21 VAL A 127 102.844 -2.796 -8.780 1.00 0.00 H new ATOM 0 HG22 VAL A 127 103.794 -1.456 -8.094 1.00 0.00 H new ATOM 0 HG23 VAL A 127 102.881 -1.219 -9.604 1.00 0.00 H new ATOM 2043 N LEU A 128 107.413 -1.532 -11.665 1.00 0.00 N ATOM 2044 CA LEU A 128 108.058 -1.651 -13.007 1.00 0.00 C ATOM 2045 C LEU A 128 108.672 -3.046 -13.153 1.00 0.00 C ATOM 2046 O LEU A 128 109.712 -3.279 -12.561 1.00 0.00 O ATOM 2047 CB LEU A 128 109.159 -0.582 -13.130 1.00 0.00 C ATOM 2048 CG LEU A 128 109.043 0.144 -14.476 1.00 0.00 C ATOM 2049 CD1 LEU A 128 107.933 1.196 -14.402 1.00 0.00 C ATOM 2050 CD2 LEU A 128 110.372 0.832 -14.797 1.00 0.00 C ATOM 2051 OXT LEU A 128 108.090 -3.856 -13.856 1.00 0.00 O ATOM 0 H LEU A 128 108.042 -1.659 -10.872 1.00 0.00 H new ATOM 0 HA LEU A 128 107.316 -1.502 -13.791 1.00 0.00 H new ATOM 0 HB2 LEU A 128 109.073 0.135 -12.313 1.00 0.00 H new ATOM 0 HB3 LEU A 128 110.140 -1.048 -13.043 1.00 0.00 H new ATOM 0 HG LEU A 128 108.804 -0.579 -15.256 1.00 0.00 H new ATOM 0 HD11 LEU A 128 107.854 1.709 -15.360 1.00 0.00 H new ATOM 0 HD12 LEU A 128 106.985 0.709 -14.172 1.00 0.00 H new ATOM 0 HD13 LEU A 128 108.169 1.919 -13.621 1.00 0.00 H new ATOM 0 HD21 LEU A 128 110.292 1.349 -15.753 1.00 0.00 H new ATOM 0 HD22 LEU A 128 110.607 1.552 -14.014 1.00 0.00 H new ATOM 0 HD23 LEU A 128 111.164 0.085 -14.853 1.00 0.00 H new TER 2063 LEU A 128