USER MOD reduce.3.24.130724 H: found=0, std=0, add=1049, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1049 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 129 MET CE :methyl -162:sc= -0.0876 (180deg=-0.515) USER MOD Set 1.2: A 133 ASN :FLIP amide:sc= -0.171 F(o=-1.1,f=-0.26) USER MOD Set 2.1: A 104 MET CE :methyl -105:sc= -1.63 (180deg=-2.14) USER MOD Set 2.2: A 131 GLN : amide:sc= -0.643 X(o=-2.3,f=-2.5) USER MOD Set 2.3: A 132 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 73 CYS SG : rot -12:sc= 0.189! USER MOD Set 3.2: A 90 LYS NZ :NH3+ -161:sc= -0.709 (180deg=-2.05!) USER MOD Set 4.1: A 67 GLN :FLIP amide:sc= -0.0562 F(o=-1,f=-0.25) USER MOD Set 4.2: A 97 MET CE :methyl -149:sc= -0.194 (180deg=-1.07) USER MOD Set 5.1: A 61 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 62 LYS NZ :NH3+ 158:sc= 0.793 (180deg=0.498) USER MOD Set 6.1: A 24 ASN : amide:sc= 0.691 K(o=0.31,f=-5.1) USER MOD Set 6.2: A 39 TYR OH : rot 17:sc= 0.256 USER MOD Set 6.3: A 51 LYS NZ :NH3+ -138:sc= -0.794 (180deg=-3.72!) USER MOD Set 6.4: A 54 SER OG : rot -21:sc= 0.249 USER MOD Set 6.5: A 55 ASN : amide:sc= -0.0925 K(o=0.31,f=-4.4!) USER MOD Set 7.1: A 26 CYS SG : rot 60:sc= -1.32 USER MOD Set 7.2: A 38 HIS : no HD1:sc= -2.12 K(o=-3.4,f=-6.1) USER MOD Set 8.1: A 12 ASN : amide:sc=-0.00145 K(o=-0.0015,f=-0.99) USER MOD Set 8.2: A 18 MET CE :methyl -160:sc= 0 (180deg=0) USER MOD Set 9.1: A 1 MET CE :methyl -154:sc= 0 (180deg=-0.432) USER MOD Set 9.2: A 82 THR OG1 : rot 23:sc= 0.296 USER MOD Single : A 1 MET N :NH3+ -152:sc= 1.42 (180deg=0.37) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0215 X(o=-0.021,f=-0.021) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.0458 X(o=-0.046,f=-0.17) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 8 HIS : no HD1:sc= -0.0621 X(o=-0.062,f=0) USER MOD Single : A 9 SER OG : rot 48:sc= 0.605 USER MOD Single : A 10 HIS : no HD1:sc= -0.026 X(o=-0.026,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -110:sc= 0.989 (180deg=-0.382) USER MOD Single : A 21 ASN : amide:sc= -0.609 X(o=-0.61,f=-0.21) USER MOD Single : A 22 LYS NZ :NH3+ 150:sc= 0.0275 (180deg=-0.56) USER MOD Single : A 28 GLN : amide:sc= -0.254 X(o=-0.25,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.471 F(o=-2.9!,f=-0.47) USER MOD Single : A 36 MET CE :methyl -134:sc= -0.419 (180deg=-2.02) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 64:sc= 1.26 USER MOD Single : A 44 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0207) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.965 F(o=-1.7!,f=-0.97) USER MOD Single : A 48 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0704) USER MOD Single : A 53 TYR OH : rot -169:sc= 0.352 USER MOD Single : A 59 CYS SG : rot 140:sc= 0.605 USER MOD Single : A 60 TYR OH : rot 180:sc= 0.0609 USER MOD Single : A 71 LYS NZ :NH3+ -133:sc= -0.298 (180deg=-2.03!) USER MOD Single : A 76 CYS SG : rot -118:sc= -1.27! USER MOD Single : A 78 GLN : amide:sc= 0.257 X(o=0.26,f=-0.18) USER MOD Single : A 85 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0556) USER MOD Single : A 87 TYR OH : rot 83:sc= 0.609 USER MOD Single : A 88 THR OG1 : rot 160:sc= 0.186 USER MOD Single : A 98 LYS NZ :NH3+ -172:sc=-0.00297 (180deg=-0.0811) USER MOD Single : A 100 TYR OH : rot 30:sc= -0.0958 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 TYR OH : rot -84:sc= 0.0163 USER MOD Single : A 108 GLN : amide:sc= -0.487 X(o=-0.49,f=-0.048) USER MOD Single : A 109 LYS NZ :NH3+ 152:sc= 0.921 (180deg=0.445) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 CYS SG : rot -81:sc= -6.54! USER MOD Single : A 118 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0017) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -1.05 K(o=-1,f=-1.6!) USER MOD Single : A 127 CYS SG : rot 63:sc= 1.18 USER MOD Single : A 128 MET CE :methyl -155:sc= -0.203 (180deg=-0.766) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.962 3.658 -3.263 1.00 32.51 N ATOM 2 CA MET A 1 15.397 3.804 -3.576 1.00 34.31 C ATOM 3 C MET A 1 15.598 5.012 -4.505 1.00 61.22 C ATOM 4 O MET A 1 15.134 5.010 -5.651 1.00 53.15 O ATOM 5 CB MET A 1 15.958 2.513 -4.238 1.00 72.24 C ATOM 6 CG MET A 1 15.795 1.233 -3.401 1.00 51.03 C ATOM 7 SD MET A 1 16.746 1.292 -1.866 1.00 31.23 S ATOM 8 CE MET A 1 16.488 -0.352 -1.193 1.00 73.15 C ATOM 0 H1 MET A 1 13.854 3.206 -2.333 1.00 32.51 H new ATOM 0 H2 MET A 1 13.513 4.596 -3.246 1.00 32.51 H new ATOM 0 H3 MET A 1 13.506 3.069 -3.989 1.00 32.51 H new ATOM 0 HA MET A 1 15.943 3.966 -2.647 1.00 34.31 H new ATOM 0 HB2 MET A 1 15.461 2.368 -5.197 1.00 72.24 H new ATOM 0 HB3 MET A 1 17.018 2.660 -4.447 1.00 72.24 H new ATOM 0 HG2 MET A 1 14.741 1.086 -3.167 1.00 51.03 H new ATOM 0 HG3 MET A 1 16.113 0.373 -3.990 1.00 51.03 H new ATOM 0 HE1 MET A 1 16.598 -0.323 -0.109 1.00 73.15 H new ATOM 0 HE2 MET A 1 15.485 -0.696 -1.447 1.00 73.15 H new ATOM 0 HE3 MET A 1 17.224 -1.037 -1.614 1.00 73.15 H new ATOM 20 N GLY A 2 16.281 6.044 -3.986 1.00 31.52 N ATOM 21 CA GLY A 2 16.662 7.224 -4.766 1.00 4.23 C ATOM 22 C GLY A 2 18.098 7.627 -4.469 1.00 50.43 C ATOM 23 O GLY A 2 18.916 6.781 -4.083 1.00 30.45 O ATOM 0 H GLY A 2 16.583 6.081 -3.013 1.00 31.52 H new ATOM 0 HA2 GLY A 2 16.551 7.014 -5.830 1.00 4.23 H new ATOM 0 HA3 GLY A 2 15.992 8.051 -4.533 1.00 4.23 H new ATOM 27 N HIS A 3 18.419 8.918 -4.639 1.00 74.41 N ATOM 28 CA HIS A 3 19.787 9.437 -4.431 1.00 62.42 C ATOM 29 C HIS A 3 19.917 10.109 -3.059 1.00 51.41 C ATOM 30 O HIS A 3 18.989 10.773 -2.603 1.00 14.42 O ATOM 31 CB HIS A 3 20.164 10.418 -5.565 1.00 41.34 C ATOM 32 CG HIS A 3 20.238 9.757 -6.914 1.00 65.14 C ATOM 33 ND1 HIS A 3 21.387 9.175 -7.406 1.00 71.34 N ATOM 34 CD2 HIS A 3 19.297 9.574 -7.870 1.00 31.33 C ATOM 35 CE1 HIS A 3 21.145 8.673 -8.600 1.00 54.25 C ATOM 36 NE2 HIS A 3 19.886 8.892 -8.902 1.00 61.13 N ATOM 0 H HIS A 3 17.746 9.630 -4.922 1.00 74.41 H new ATOM 0 HA HIS A 3 20.482 8.597 -4.455 1.00 62.42 H new ATOM 0 HB2 HIS A 3 19.430 11.223 -5.601 1.00 41.34 H new ATOM 0 HB3 HIS A 3 21.127 10.875 -5.337 1.00 41.34 H new ATOM 0 HD2 HIS A 3 18.270 9.905 -7.827 1.00 31.33 H new ATOM 0 HE1 HIS A 3 21.863 8.165 -9.227 1.00 54.25 H new ATOM 0 HE2 HIS A 3 19.423 8.602 -9.763 1.00 61.13 H new ATOM 45 N HIS A 4 21.082 9.911 -2.408 1.00 5.00 N ATOM 46 CA HIS A 4 21.421 10.555 -1.118 1.00 2.44 C ATOM 47 C HIS A 4 22.029 11.956 -1.355 1.00 31.25 C ATOM 48 O HIS A 4 22.097 12.776 -0.428 1.00 4.12 O ATOM 49 CB HIS A 4 22.400 9.649 -0.307 1.00 5.31 C ATOM 50 CG HIS A 4 22.831 10.222 1.026 1.00 65.42 C ATOM 51 ND1 HIS A 4 24.144 10.498 1.343 1.00 52.02 N ATOM 52 CD2 HIS A 4 22.110 10.590 2.115 1.00 42.34 C ATOM 53 CE1 HIS A 4 24.211 11.004 2.554 1.00 1.44 C ATOM 54 NE2 HIS A 4 22.993 11.075 3.043 1.00 14.23 N ATOM 0 H HIS A 4 21.817 9.299 -2.762 1.00 5.00 H new ATOM 0 HA HIS A 4 20.508 10.680 -0.536 1.00 2.44 H new ATOM 0 HB2 HIS A 4 21.923 8.684 -0.136 1.00 5.31 H new ATOM 0 HB3 HIS A 4 23.288 9.463 -0.912 1.00 5.31 H new ATOM 0 HD2 HIS A 4 21.039 10.514 2.229 1.00 42.34 H new ATOM 0 HE1 HIS A 4 25.114 11.310 3.062 1.00 1.44 H new ATOM 0 HE2 HIS A 4 22.745 11.434 3.965 1.00 14.23 H new ATOM 63 N HIS A 5 22.474 12.215 -2.605 1.00 75.04 N ATOM 64 CA HIS A 5 23.045 13.515 -3.014 1.00 24.13 C ATOM 65 C HIS A 5 21.970 14.629 -2.916 1.00 30.44 C ATOM 66 O HIS A 5 21.230 14.892 -3.870 1.00 70.23 O ATOM 67 CB HIS A 5 23.661 13.423 -4.449 1.00 31.21 C ATOM 68 CG HIS A 5 24.935 12.603 -4.543 1.00 43.15 C ATOM 69 ND1 HIS A 5 26.094 13.059 -5.151 1.00 31.41 N ATOM 70 CD2 HIS A 5 25.224 11.347 -4.120 1.00 44.23 C ATOM 71 CE1 HIS A 5 27.022 12.121 -5.096 1.00 63.13 C ATOM 72 NE2 HIS A 5 26.521 11.079 -4.472 1.00 71.12 N ATOM 0 H HIS A 5 22.447 11.527 -3.358 1.00 75.04 H new ATOM 0 HA HIS A 5 23.855 13.775 -2.332 1.00 24.13 H new ATOM 0 HB2 HIS A 5 22.918 12.993 -5.121 1.00 31.21 H new ATOM 0 HB3 HIS A 5 23.868 14.432 -4.806 1.00 31.21 H new ATOM 0 HD2 HIS A 5 24.553 10.679 -3.600 1.00 44.23 H new ATOM 0 HE1 HIS A 5 28.022 12.197 -5.496 1.00 63.13 H new ATOM 0 HE2 HIS A 5 27.018 10.209 -4.280 1.00 71.12 H new ATOM 81 N HIS A 6 21.850 15.213 -1.707 1.00 41.10 N ATOM 82 CA HIS A 6 20.894 16.296 -1.383 1.00 34.41 C ATOM 83 C HIS A 6 21.585 17.337 -0.488 1.00 50.45 C ATOM 84 O HIS A 6 20.928 18.048 0.284 1.00 12.31 O ATOM 85 CB HIS A 6 19.620 15.727 -0.678 1.00 54.12 C ATOM 86 CG HIS A 6 18.709 14.925 -1.571 1.00 60.10 C ATOM 87 ND1 HIS A 6 17.955 15.492 -2.576 1.00 3.44 N ATOM 88 CD2 HIS A 6 18.456 13.599 -1.623 1.00 1.52 C ATOM 89 CE1 HIS A 6 17.285 14.550 -3.210 1.00 32.04 C ATOM 90 NE2 HIS A 6 17.570 13.393 -2.649 1.00 42.30 N ATOM 0 H HIS A 6 22.426 14.941 -0.910 1.00 41.10 H new ATOM 0 HA HIS A 6 20.575 16.772 -2.310 1.00 34.41 H new ATOM 0 HB2 HIS A 6 19.933 15.099 0.156 1.00 54.12 H new ATOM 0 HB3 HIS A 6 19.054 16.557 -0.256 1.00 54.12 H new ATOM 0 HD2 HIS A 6 18.874 12.842 -0.976 1.00 1.52 H new ATOM 0 HE1 HIS A 6 16.617 14.701 -4.045 1.00 32.04 H new ATOM 0 HE2 HIS A 6 17.192 12.489 -2.932 1.00 42.30 H new ATOM 99 N HIS A 7 22.919 17.472 -0.642 1.00 63.13 N ATOM 100 CA HIS A 7 23.731 18.444 0.124 1.00 72.32 C ATOM 101 C HIS A 7 23.712 19.829 -0.574 1.00 33.15 C ATOM 102 O HIS A 7 24.744 20.483 -0.754 1.00 3.31 O ATOM 103 CB HIS A 7 25.176 17.903 0.315 1.00 62.11 C ATOM 104 CG HIS A 7 25.246 16.577 1.034 1.00 1.14 C ATOM 105 ND1 HIS A 7 25.971 15.500 0.568 1.00 75.15 N ATOM 106 CD2 HIS A 7 24.686 16.162 2.201 1.00 21.53 C ATOM 107 CE1 HIS A 7 25.851 14.488 1.406 1.00 40.31 C ATOM 108 NE2 HIS A 7 25.076 14.863 2.402 1.00 34.11 N ATOM 0 H HIS A 7 23.463 16.912 -1.299 1.00 63.13 H new ATOM 0 HA HIS A 7 23.298 18.575 1.116 1.00 72.32 H new ATOM 0 HB2 HIS A 7 25.646 17.800 -0.663 1.00 62.11 H new ATOM 0 HB3 HIS A 7 25.757 18.638 0.872 1.00 62.11 H new ATOM 0 HD2 HIS A 7 24.051 16.747 2.850 1.00 21.53 H new ATOM 0 HE1 HIS A 7 26.310 13.517 1.294 1.00 40.31 H new ATOM 0 HE2 HIS A 7 24.809 14.281 3.196 1.00 34.11 H new ATOM 117 N HIS A 8 22.497 20.241 -0.965 1.00 73.25 N ATOM 118 CA HIS A 8 22.171 21.562 -1.511 1.00 62.41 C ATOM 119 C HIS A 8 20.752 21.924 -1.036 1.00 1.54 C ATOM 120 O HIS A 8 19.992 22.580 -1.748 1.00 54.25 O ATOM 121 CB HIS A 8 22.261 21.568 -3.072 1.00 73.20 C ATOM 122 CG HIS A 8 23.650 21.740 -3.622 1.00 42.23 C ATOM 123 ND1 HIS A 8 24.150 20.993 -4.658 1.00 12.12 N ATOM 124 CD2 HIS A 8 24.620 22.622 -3.301 1.00 70.15 C ATOM 125 CE1 HIS A 8 25.373 21.396 -4.938 1.00 12.15 C ATOM 126 NE2 HIS A 8 25.682 22.386 -4.134 1.00 62.44 N ATOM 0 H HIS A 8 21.680 19.633 -0.906 1.00 73.25 H new ATOM 0 HA HIS A 8 22.888 22.302 -1.156 1.00 62.41 H new ATOM 0 HB2 HIS A 8 21.849 20.632 -3.449 1.00 73.20 H new ATOM 0 HB3 HIS A 8 21.631 22.371 -3.455 1.00 73.20 H new ATOM 0 HD2 HIS A 8 24.568 23.376 -2.529 1.00 70.15 H new ATOM 0 HE1 HIS A 8 26.014 20.981 -5.702 1.00 12.15 H new ATOM 0 HE2 HIS A 8 26.566 22.895 -4.130 1.00 62.44 H new ATOM 135 N SER A 9 20.420 21.478 0.189 1.00 12.33 N ATOM 136 CA SER A 9 19.125 21.737 0.825 1.00 40.11 C ATOM 137 C SER A 9 18.952 23.245 1.093 1.00 63.12 C ATOM 138 O SER A 9 19.626 23.814 1.963 1.00 72.13 O ATOM 139 CB SER A 9 19.020 20.922 2.137 1.00 44.40 C ATOM 140 OG SER A 9 19.105 19.530 1.877 1.00 70.30 O ATOM 0 H SER A 9 21.052 20.923 0.767 1.00 12.33 H new ATOM 0 HA SER A 9 18.324 21.424 0.156 1.00 40.11 H new ATOM 0 HB2 SER A 9 19.818 21.218 2.818 1.00 44.40 H new ATOM 0 HB3 SER A 9 18.076 21.146 2.634 1.00 44.40 H new ATOM 0 HG SER A 9 19.869 19.353 1.290 1.00 70.30 H new ATOM 146 N HIS A 10 18.076 23.880 0.298 1.00 51.23 N ATOM 147 CA HIS A 10 17.743 25.318 0.411 1.00 54.44 C ATOM 148 C HIS A 10 16.812 25.582 1.617 1.00 71.34 C ATOM 149 O HIS A 10 16.648 24.710 2.475 1.00 73.34 O ATOM 150 CB HIS A 10 17.097 25.806 -0.919 1.00 55.41 C ATOM 151 CG HIS A 10 18.057 25.932 -2.077 1.00 3.24 C ATOM 152 ND1 HIS A 10 18.622 27.132 -2.460 1.00 30.44 N ATOM 153 CD2 HIS A 10 18.558 25.007 -2.926 1.00 61.23 C ATOM 154 CE1 HIS A 10 19.420 26.934 -3.489 1.00 13.01 C ATOM 155 NE2 HIS A 10 19.396 25.656 -3.795 1.00 11.34 N ATOM 0 H HIS A 10 17.571 23.408 -0.452 1.00 51.23 H new ATOM 0 HA HIS A 10 18.659 25.882 0.585 1.00 54.44 H new ATOM 0 HB2 HIS A 10 16.303 25.113 -1.197 1.00 55.41 H new ATOM 0 HB3 HIS A 10 16.629 26.775 -0.746 1.00 55.41 H new ATOM 0 HD2 HIS A 10 18.338 23.950 -2.921 1.00 61.23 H new ATOM 0 HE1 HIS A 10 19.997 27.694 -3.996 1.00 13.01 H new ATOM 0 HE2 HIS A 10 19.916 25.218 -4.555 1.00 11.34 H new ATOM 164 N MET A 11 16.238 26.812 1.677 1.00 30.04 N ATOM 165 CA MET A 11 15.245 27.220 2.713 1.00 4.40 C ATOM 166 C MET A 11 14.126 26.161 2.836 1.00 54.44 C ATOM 167 O MET A 11 13.785 25.709 3.931 1.00 31.51 O ATOM 168 CB MET A 11 14.651 28.617 2.370 1.00 70.05 C ATOM 169 CG MET A 11 15.702 29.721 2.135 1.00 22.33 C ATOM 170 SD MET A 11 16.814 29.943 3.544 1.00 13.03 S ATOM 171 CE MET A 11 17.906 31.243 2.956 1.00 53.41 C ATOM 0 H MET A 11 16.450 27.552 1.008 1.00 30.04 H new ATOM 0 HA MET A 11 15.752 27.290 3.675 1.00 4.40 H new ATOM 0 HB2 MET A 11 14.033 28.525 1.476 1.00 70.05 H new ATOM 0 HB3 MET A 11 13.993 28.927 3.182 1.00 70.05 H new ATOM 0 HG2 MET A 11 16.289 29.475 1.250 1.00 22.33 H new ATOM 0 HG3 MET A 11 15.193 30.662 1.928 1.00 22.33 H new ATOM 0 HE1 MET A 11 18.640 31.477 3.727 1.00 53.41 H new ATOM 0 HE2 MET A 11 18.420 30.907 2.055 1.00 53.41 H new ATOM 0 HE3 MET A 11 17.321 32.134 2.729 1.00 53.41 H new ATOM 181 N ASN A 12 13.567 25.779 1.681 1.00 30.22 N ATOM 182 CA ASN A 12 12.801 24.534 1.531 1.00 61.20 C ATOM 183 C ASN A 12 13.778 23.448 1.043 1.00 21.30 C ATOM 184 O ASN A 12 14.277 23.552 -0.088 1.00 41.24 O ATOM 185 CB ASN A 12 11.627 24.705 0.521 1.00 41.10 C ATOM 186 CG ASN A 12 10.530 25.621 1.052 1.00 41.32 C ATOM 187 OD1 ASN A 12 10.299 25.699 2.255 1.00 2.34 O ATOM 188 ND2 ASN A 12 9.833 26.312 0.172 1.00 25.35 N ATOM 0 H ASN A 12 13.633 26.325 0.822 1.00 30.22 H new ATOM 0 HA ASN A 12 12.356 24.255 2.486 1.00 61.20 H new ATOM 0 HB2 ASN A 12 12.013 25.110 -0.415 1.00 41.10 H new ATOM 0 HB3 ASN A 12 11.202 23.727 0.294 1.00 41.10 H new ATOM 0 HD21 ASN A 12 9.083 26.928 0.486 1.00 25.35 H new ATOM 0 HD22 ASN A 12 10.044 26.231 -0.823 1.00 25.35 H new ATOM 195 N PRO A 13 14.115 22.412 1.894 1.00 55.14 N ATOM 196 CA PRO A 13 15.038 21.313 1.490 1.00 12.20 C ATOM 197 C PRO A 13 14.487 20.512 0.289 1.00 4.33 C ATOM 198 O PRO A 13 15.261 19.996 -0.531 1.00 75.42 O ATOM 199 CB PRO A 13 15.160 20.437 2.768 1.00 22.35 C ATOM 200 CG PRO A 13 13.953 20.777 3.592 1.00 54.23 C ATOM 201 CD PRO A 13 13.636 22.228 3.297 1.00 72.04 C ATOM 0 HA PRO A 13 16.005 21.685 1.150 1.00 12.20 H new ATOM 0 HB2 PRO A 13 15.181 19.376 2.518 1.00 22.35 H new ATOM 0 HB3 PRO A 13 16.081 20.655 3.309 1.00 22.35 H new ATOM 0 HG2 PRO A 13 13.111 20.134 3.334 1.00 54.23 H new ATOM 0 HG3 PRO A 13 14.152 20.630 4.654 1.00 54.23 H new ATOM 0 HD2 PRO A 13 12.569 22.432 3.387 1.00 72.04 H new ATOM 0 HD3 PRO A 13 14.148 22.899 3.987 1.00 72.04 H new ATOM 209 N ASP A 14 13.140 20.437 0.197 1.00 3.14 N ATOM 210 CA ASP A 14 12.440 19.846 -0.955 1.00 62.33 C ATOM 211 C ASP A 14 10.945 20.234 -0.929 1.00 5.42 C ATOM 212 O ASP A 14 10.213 19.873 -0.004 1.00 60.14 O ATOM 213 CB ASP A 14 12.605 18.300 -0.985 1.00 74.24 C ATOM 214 CG ASP A 14 11.816 17.621 -2.119 1.00 54.04 C ATOM 215 OD1 ASP A 14 11.933 18.058 -3.289 1.00 32.43 O ATOM 216 OD2 ASP A 14 11.090 16.644 -1.848 1.00 20.12 O ATOM 0 H ASP A 14 12.512 20.786 0.921 1.00 3.14 H new ATOM 0 HA ASP A 14 12.890 20.244 -1.864 1.00 62.33 H new ATOM 0 HB2 ASP A 14 13.662 18.057 -1.093 1.00 74.24 H new ATOM 0 HB3 ASP A 14 12.279 17.889 -0.029 1.00 74.24 H new ATOM 221 N LEU A 15 10.503 20.952 -1.976 1.00 72.23 N ATOM 222 CA LEU A 15 9.102 21.395 -2.140 1.00 1.32 C ATOM 223 C LEU A 15 8.145 20.178 -2.197 1.00 42.31 C ATOM 224 O LEU A 15 7.017 20.223 -1.680 1.00 24.23 O ATOM 225 CB LEU A 15 8.944 22.269 -3.422 1.00 52.12 C ATOM 226 CG LEU A 15 9.759 23.623 -3.467 1.00 71.20 C ATOM 227 CD1 LEU A 15 11.262 23.415 -3.778 1.00 22.52 C ATOM 228 CD2 LEU A 15 9.129 24.631 -4.458 1.00 13.12 C ATOM 0 H LEU A 15 11.111 21.245 -2.740 1.00 72.23 H new ATOM 0 HA LEU A 15 8.837 22.002 -1.274 1.00 1.32 H new ATOM 0 HB2 LEU A 15 9.238 21.667 -4.282 1.00 52.12 H new ATOM 0 HB3 LEU A 15 7.887 22.505 -3.544 1.00 52.12 H new ATOM 0 HG LEU A 15 9.700 24.042 -2.463 1.00 71.20 H new ATOM 0 HD11 LEU A 15 11.767 24.381 -3.795 1.00 22.52 H new ATOM 0 HD12 LEU A 15 11.709 22.785 -3.009 1.00 22.52 H new ATOM 0 HD13 LEU A 15 11.369 22.932 -4.749 1.00 22.52 H new ATOM 0 HD21 LEU A 15 9.715 25.550 -4.463 1.00 13.12 H new ATOM 0 HD22 LEU A 15 9.121 24.200 -5.459 1.00 13.12 H new ATOM 0 HD23 LEU A 15 8.107 24.854 -4.150 1.00 13.12 H new ATOM 240 N ALA A 16 8.641 19.079 -2.794 1.00 65.20 N ATOM 241 CA ALA A 16 7.889 17.823 -2.937 1.00 32.44 C ATOM 242 C ALA A 16 7.625 17.140 -1.579 1.00 4.55 C ATOM 243 O ALA A 16 6.726 16.293 -1.477 1.00 70.31 O ATOM 244 CB ALA A 16 8.607 16.884 -3.914 1.00 55.41 C ATOM 0 H ALA A 16 9.579 19.039 -3.192 1.00 65.20 H new ATOM 0 HA ALA A 16 6.910 18.067 -3.349 1.00 32.44 H new ATOM 0 HB1 ALA A 16 8.041 15.958 -4.011 1.00 55.41 H new ATOM 0 HB2 ALA A 16 8.686 17.365 -4.889 1.00 55.41 H new ATOM 0 HB3 ALA A 16 9.605 16.661 -3.537 1.00 55.41 H new ATOM 250 N LEU A 17 8.405 17.490 -0.524 1.00 61.03 N ATOM 251 CA LEU A 17 8.138 16.963 0.828 1.00 12.20 C ATOM 252 C LEU A 17 7.024 17.787 1.499 1.00 11.23 C ATOM 253 O LEU A 17 6.361 17.301 2.410 1.00 51.20 O ATOM 254 CB LEU A 17 9.452 16.881 1.688 1.00 62.53 C ATOM 255 CG LEU A 17 9.875 18.121 2.581 1.00 31.12 C ATOM 256 CD1 LEU A 17 9.174 18.123 3.967 1.00 42.45 C ATOM 257 CD2 LEU A 17 11.411 18.186 2.758 1.00 51.14 C ATOM 0 H LEU A 17 9.205 18.120 -0.585 1.00 61.03 H new ATOM 0 HA LEU A 17 7.780 15.937 0.747 1.00 12.20 H new ATOM 0 HB2 LEU A 17 9.358 16.019 2.348 1.00 62.53 H new ATOM 0 HB3 LEU A 17 10.277 16.672 1.007 1.00 62.53 H new ATOM 0 HG LEU A 17 9.544 19.011 2.046 1.00 31.12 H new ATOM 0 HD11 LEU A 17 9.499 18.993 4.538 1.00 42.45 H new ATOM 0 HD12 LEU A 17 8.094 18.163 3.828 1.00 42.45 H new ATOM 0 HD13 LEU A 17 9.437 17.215 4.509 1.00 42.45 H new ATOM 0 HD21 LEU A 17 11.670 19.047 3.375 1.00 51.14 H new ATOM 0 HD22 LEU A 17 11.760 17.274 3.242 1.00 51.14 H new ATOM 0 HD23 LEU A 17 11.886 18.283 1.782 1.00 51.14 H new ATOM 269 N MET A 18 6.809 19.030 1.027 1.00 4.11 N ATOM 270 CA MET A 18 5.812 19.949 1.624 1.00 24.32 C ATOM 271 C MET A 18 4.386 19.539 1.198 1.00 51.35 C ATOM 272 O MET A 18 3.442 19.577 2.002 1.00 22.13 O ATOM 273 CB MET A 18 6.116 21.419 1.211 1.00 14.34 C ATOM 274 CG MET A 18 7.547 21.885 1.548 1.00 4.24 C ATOM 275 SD MET A 18 7.923 21.770 3.317 1.00 52.10 S ATOM 276 CE MET A 18 9.601 22.410 3.392 1.00 62.01 C ATOM 0 H MET A 18 7.312 19.425 0.232 1.00 4.11 H new ATOM 0 HA MET A 18 5.876 19.882 2.710 1.00 24.32 H new ATOM 0 HB2 MET A 18 5.954 21.524 0.138 1.00 14.34 H new ATOM 0 HB3 MET A 18 5.404 22.079 1.707 1.00 14.34 H new ATOM 0 HG2 MET A 18 8.262 21.281 0.989 1.00 4.24 H new ATOM 0 HG3 MET A 18 7.675 22.917 1.220 1.00 4.24 H new ATOM 0 HE1 MET A 18 10.076 22.078 4.315 1.00 62.01 H new ATOM 0 HE2 MET A 18 10.169 22.042 2.538 1.00 62.01 H new ATOM 0 HE3 MET A 18 9.576 23.499 3.369 1.00 62.01 H new ATOM 286 N VAL A 19 4.265 19.100 -0.069 1.00 62.13 N ATOM 287 CA VAL A 19 2.977 18.713 -0.682 1.00 0.13 C ATOM 288 C VAL A 19 2.442 17.375 -0.111 1.00 14.44 C ATOM 289 O VAL A 19 1.227 17.161 -0.048 1.00 32.31 O ATOM 290 CB VAL A 19 3.113 18.601 -2.247 1.00 50.13 C ATOM 291 CG1 VAL A 19 4.030 17.427 -2.649 1.00 24.55 C ATOM 292 CG2 VAL A 19 1.734 18.495 -2.946 1.00 32.45 C ATOM 0 H VAL A 19 5.060 19.003 -0.700 1.00 62.13 H new ATOM 0 HA VAL A 19 2.262 19.498 -0.436 1.00 0.13 H new ATOM 0 HB VAL A 19 3.578 19.525 -2.591 1.00 50.13 H new ATOM 0 HG11 VAL A 19 4.103 17.378 -3.735 1.00 24.55 H new ATOM 0 HG12 VAL A 19 5.023 17.579 -2.226 1.00 24.55 H new ATOM 0 HG13 VAL A 19 3.613 16.494 -2.270 1.00 24.55 H new ATOM 0 HG21 VAL A 19 1.877 18.420 -4.024 1.00 32.45 H new ATOM 0 HG22 VAL A 19 1.211 17.609 -2.587 1.00 32.45 H new ATOM 0 HG23 VAL A 19 1.142 19.382 -2.720 1.00 32.45 H new ATOM 302 N LYS A 20 3.355 16.467 0.299 1.00 60.24 N ATOM 303 CA LYS A 20 2.953 15.132 0.771 1.00 52.23 C ATOM 304 C LYS A 20 2.265 15.223 2.143 1.00 13.04 C ATOM 305 O LYS A 20 1.337 14.474 2.400 1.00 72.21 O ATOM 306 CB LYS A 20 4.149 14.141 0.807 1.00 22.12 C ATOM 307 CG LYS A 20 5.225 14.427 1.875 1.00 22.55 C ATOM 308 CD LYS A 20 6.383 13.396 1.889 1.00 33.23 C ATOM 309 CE LYS A 20 7.144 13.331 0.559 1.00 72.14 C ATOM 310 NZ LYS A 20 8.312 12.425 0.630 1.00 22.33 N ATOM 0 H LYS A 20 4.361 16.635 0.311 1.00 60.24 H new ATOM 0 HA LYS A 20 2.235 14.736 0.053 1.00 52.23 H new ATOM 0 HB2 LYS A 20 3.759 13.136 0.971 1.00 22.12 H new ATOM 0 HB3 LYS A 20 4.627 14.142 -0.173 1.00 22.12 H new ATOM 0 HG2 LYS A 20 5.638 15.421 1.704 1.00 22.55 H new ATOM 0 HG3 LYS A 20 4.753 14.443 2.857 1.00 22.55 H new ATOM 0 HD2 LYS A 20 7.080 13.651 2.688 1.00 33.23 H new ATOM 0 HD3 LYS A 20 5.981 12.409 2.120 1.00 33.23 H new ATOM 0 HE2 LYS A 20 6.470 12.992 -0.228 1.00 72.14 H new ATOM 0 HE3 LYS A 20 7.478 14.331 0.284 1.00 72.14 H new ATOM 0 HZ1 LYS A 20 9.188 12.985 0.595 1.00 22.33 H new ATOM 0 HZ2 LYS A 20 8.280 11.887 1.519 1.00 22.33 H new ATOM 0 HZ3 LYS A 20 8.290 11.766 -0.174 1.00 22.33 H new ATOM 324 N ASN A 21 2.707 16.184 2.995 1.00 35.52 N ATOM 325 CA ASN A 21 2.135 16.398 4.350 1.00 12.15 C ATOM 326 C ASN A 21 0.641 16.731 4.270 1.00 63.31 C ATOM 327 O ASN A 21 -0.170 16.162 5.015 1.00 10.12 O ATOM 328 CB ASN A 21 2.873 17.532 5.119 1.00 64.25 C ATOM 329 CG ASN A 21 4.281 17.153 5.574 1.00 42.43 C ATOM 330 OD1 ASN A 21 4.462 16.539 6.627 1.00 70.54 O ATOM 331 ND2 ASN A 21 5.291 17.547 4.822 1.00 42.13 N ATOM 0 H ASN A 21 3.464 16.828 2.764 1.00 35.52 H new ATOM 0 HA ASN A 21 2.270 15.465 4.897 1.00 12.15 H new ATOM 0 HB2 ASN A 21 2.933 18.413 4.480 1.00 64.25 H new ATOM 0 HB3 ASN A 21 2.282 17.811 5.991 1.00 64.25 H new ATOM 0 HD21 ASN A 21 6.249 17.345 5.108 1.00 42.13 H new ATOM 0 HD22 ASN A 21 5.114 18.054 3.955 1.00 42.13 H new ATOM 338 N LYS A 22 0.284 17.643 3.341 1.00 54.42 N ATOM 339 CA LYS A 22 -1.113 18.042 3.140 1.00 23.41 C ATOM 340 C LYS A 22 -1.887 16.937 2.386 1.00 4.53 C ATOM 341 O LYS A 22 -3.072 16.723 2.641 1.00 14.01 O ATOM 342 CB LYS A 22 -1.196 19.458 2.472 1.00 52.23 C ATOM 343 CG LYS A 22 -0.477 19.647 1.108 1.00 14.15 C ATOM 344 CD LYS A 22 -1.299 19.165 -0.116 1.00 61.11 C ATOM 345 CE LYS A 22 -2.608 19.950 -0.290 1.00 72.14 C ATOM 346 NZ LYS A 22 -3.442 19.421 -1.396 1.00 42.24 N ATOM 0 H LYS A 22 0.946 18.112 2.723 1.00 54.42 H new ATOM 0 HA LYS A 22 -1.608 18.146 4.105 1.00 23.41 H new ATOM 0 HB2 LYS A 22 -2.249 19.705 2.335 1.00 52.23 H new ATOM 0 HB3 LYS A 22 -0.786 20.186 3.173 1.00 52.23 H new ATOM 0 HG2 LYS A 22 -0.239 20.703 0.979 1.00 14.15 H new ATOM 0 HG3 LYS A 22 0.470 19.107 1.131 1.00 14.15 H new ATOM 0 HD2 LYS A 22 -0.695 19.266 -1.018 1.00 61.11 H new ATOM 0 HD3 LYS A 22 -1.527 18.105 -0.002 1.00 61.11 H new ATOM 0 HE2 LYS A 22 -3.176 19.914 0.639 1.00 72.14 H new ATOM 0 HE3 LYS A 22 -2.377 20.998 -0.482 1.00 72.14 H new ATOM 0 HZ1 LYS A 22 -4.446 19.588 -1.184 1.00 42.24 H new ATOM 0 HZ2 LYS A 22 -3.190 19.904 -2.282 1.00 42.24 H new ATOM 0 HZ3 LYS A 22 -3.275 18.400 -1.499 1.00 42.24 H new ATOM 360 N GLY A 23 -1.179 16.197 1.498 1.00 71.15 N ATOM 361 CA GLY A 23 -1.758 15.047 0.786 1.00 65.14 C ATOM 362 C GLY A 23 -2.172 13.924 1.734 1.00 2.14 C ATOM 363 O GLY A 23 -3.173 13.232 1.499 1.00 51.21 O ATOM 0 H GLY A 23 -0.204 16.382 1.262 1.00 71.15 H new ATOM 0 HA2 GLY A 23 -2.627 15.376 0.216 1.00 65.14 H new ATOM 0 HA3 GLY A 23 -1.032 14.664 0.069 1.00 65.14 H new ATOM 367 N ASN A 24 -1.384 13.760 2.820 1.00 24.04 N ATOM 368 CA ASN A 24 -1.689 12.820 3.910 1.00 34.54 C ATOM 369 C ASN A 24 -2.860 13.346 4.747 1.00 24.34 C ATOM 370 O ASN A 24 -3.810 12.603 5.029 1.00 34.30 O ATOM 371 CB ASN A 24 -0.453 12.564 4.831 1.00 42.44 C ATOM 372 CG ASN A 24 0.615 11.653 4.203 1.00 51.32 C ATOM 373 OD1 ASN A 24 0.462 10.436 4.181 1.00 44.01 O ATOM 374 ND2 ASN A 24 1.723 12.205 3.756 1.00 2.21 N ATOM 0 H ASN A 24 -0.518 14.279 2.961 1.00 24.04 H new ATOM 0 HA ASN A 24 -1.961 11.869 3.451 1.00 34.54 H new ATOM 0 HB2 ASN A 24 0.003 13.521 5.084 1.00 42.44 H new ATOM 0 HB3 ASN A 24 -0.794 12.117 5.765 1.00 42.44 H new ATOM 0 HD21 ASN A 24 2.471 11.619 3.384 1.00 2.21 H new ATOM 0 HD22 ASN A 24 1.834 13.219 3.781 1.00 2.21 H new ATOM 381 N GLU A 25 -2.798 14.652 5.113 1.00 61.32 N ATOM 382 CA GLU A 25 -3.785 15.274 6.023 1.00 15.42 C ATOM 383 C GLU A 25 -5.193 15.226 5.406 1.00 41.20 C ATOM 384 O GLU A 25 -6.171 15.124 6.130 1.00 74.45 O ATOM 385 CB GLU A 25 -3.399 16.748 6.408 1.00 12.52 C ATOM 386 CG GLU A 25 -4.038 17.867 5.543 1.00 74.33 C ATOM 387 CD GLU A 25 -3.652 19.293 5.965 1.00 3.21 C ATOM 388 OE1 GLU A 25 -3.754 19.612 7.165 1.00 71.24 O ATOM 389 OE2 GLU A 25 -3.274 20.110 5.094 1.00 1.14 O ATOM 0 H GLU A 25 -2.073 15.292 4.790 1.00 61.32 H new ATOM 0 HA GLU A 25 -3.782 14.693 6.945 1.00 15.42 H new ATOM 0 HB2 GLU A 25 -3.679 16.916 7.448 1.00 12.52 H new ATOM 0 HB3 GLU A 25 -2.315 16.846 6.350 1.00 12.52 H new ATOM 0 HG2 GLU A 25 -3.746 17.717 4.503 1.00 74.33 H new ATOM 0 HG3 GLU A 25 -5.123 17.769 5.587 1.00 74.33 H new ATOM 396 N CYS A 26 -5.258 15.293 4.056 1.00 24.40 N ATOM 397 CA CYS A 26 -6.518 15.241 3.294 1.00 34.01 C ATOM 398 C CYS A 26 -7.377 14.013 3.653 1.00 74.42 C ATOM 399 O CYS A 26 -8.586 14.146 3.872 1.00 73.24 O ATOM 400 CB CYS A 26 -6.214 15.285 1.801 1.00 20.04 C ATOM 401 SG CYS A 26 -5.495 16.856 1.283 1.00 34.43 S ATOM 0 H CYS A 26 -4.431 15.385 3.466 1.00 24.40 H new ATOM 0 HA CYS A 26 -7.110 16.114 3.567 1.00 34.01 H new ATOM 0 HB2 CYS A 26 -5.528 14.476 1.550 1.00 20.04 H new ATOM 0 HB3 CYS A 26 -7.133 15.109 1.242 1.00 20.04 H new ATOM 0 HG CYS A 26 -4.381 17.055 1.923 1.00 34.43 H new ATOM 407 N PHE A 27 -6.729 12.840 3.768 1.00 32.52 N ATOM 408 CA PHE A 27 -7.394 11.596 4.212 1.00 3.10 C ATOM 409 C PHE A 27 -8.027 11.797 5.619 1.00 43.13 C ATOM 410 O PHE A 27 -9.196 11.450 5.858 1.00 12.42 O ATOM 411 CB PHE A 27 -6.371 10.425 4.201 1.00 44.13 C ATOM 412 CG PHE A 27 -6.950 9.056 4.567 1.00 31.30 C ATOM 413 CD1 PHE A 27 -7.982 8.494 3.816 1.00 42.44 C ATOM 414 CD2 PHE A 27 -6.462 8.329 5.652 1.00 14.33 C ATOM 415 CE1 PHE A 27 -8.504 7.251 4.133 1.00 1.13 C ATOM 416 CE2 PHE A 27 -6.983 7.086 5.972 1.00 41.33 C ATOM 417 CZ PHE A 27 -8.009 6.550 5.215 1.00 74.33 C ATOM 0 H PHE A 27 -5.737 12.725 3.558 1.00 32.52 H new ATOM 0 HA PHE A 27 -8.202 11.346 3.524 1.00 3.10 H new ATOM 0 HB2 PHE A 27 -5.926 10.361 3.208 1.00 44.13 H new ATOM 0 HB3 PHE A 27 -5.565 10.660 4.897 1.00 44.13 H new ATOM 0 HD1 PHE A 27 -8.381 9.038 2.972 1.00 42.44 H new ATOM 0 HD2 PHE A 27 -5.665 8.742 6.253 1.00 14.33 H new ATOM 0 HE1 PHE A 27 -9.298 6.830 3.534 1.00 1.13 H new ATOM 0 HE2 PHE A 27 -6.588 6.535 6.813 1.00 41.33 H new ATOM 0 HZ PHE A 27 -8.422 5.585 5.470 1.00 74.33 H new ATOM 427 N GLN A 28 -7.243 12.437 6.504 1.00 41.30 N ATOM 428 CA GLN A 28 -7.657 12.819 7.874 1.00 2.02 C ATOM 429 C GLN A 28 -8.738 13.939 7.860 1.00 13.32 C ATOM 430 O GLN A 28 -9.427 14.146 8.863 1.00 43.42 O ATOM 431 CB GLN A 28 -6.393 13.263 8.680 1.00 45.13 C ATOM 432 CG GLN A 28 -6.643 13.709 10.140 1.00 12.12 C ATOM 433 CD GLN A 28 -7.255 12.627 11.051 1.00 31.34 C ATOM 434 OE1 GLN A 28 -8.029 12.935 11.961 1.00 61.24 O ATOM 435 NE2 GLN A 28 -6.902 11.360 10.844 1.00 40.54 N ATOM 0 H GLN A 28 -6.285 12.710 6.287 1.00 41.30 H new ATOM 0 HA GLN A 28 -8.113 11.955 8.359 1.00 2.02 H new ATOM 0 HB2 GLN A 28 -5.684 12.436 8.690 1.00 45.13 H new ATOM 0 HB3 GLN A 28 -5.916 14.085 8.146 1.00 45.13 H new ATOM 0 HG2 GLN A 28 -5.697 14.035 10.572 1.00 12.12 H new ATOM 0 HG3 GLN A 28 -7.305 14.575 10.132 1.00 12.12 H new ATOM 0 HE21 GLN A 28 -6.261 11.127 10.086 1.00 40.54 H new ATOM 0 HE22 GLN A 28 -7.273 10.623 11.443 1.00 40.54 H new ATOM 444 N LYS A 29 -8.908 14.654 6.721 1.00 21.42 N ATOM 445 CA LYS A 29 -9.984 15.666 6.581 1.00 32.51 C ATOM 446 C LYS A 29 -11.307 14.981 6.159 1.00 53.11 C ATOM 447 O LYS A 29 -12.333 15.653 5.994 1.00 24.12 O ATOM 448 CB LYS A 29 -9.612 16.779 5.552 1.00 13.43 C ATOM 449 CG LYS A 29 -8.212 17.416 5.710 1.00 51.01 C ATOM 450 CD LYS A 29 -7.922 18.020 7.102 1.00 63.15 C ATOM 451 CE LYS A 29 -8.838 19.198 7.449 1.00 21.22 C ATOM 452 NZ LYS A 29 -8.489 19.807 8.760 1.00 15.05 N ATOM 0 H LYS A 29 -8.320 14.550 5.894 1.00 21.42 H new ATOM 0 HA LYS A 29 -10.111 16.143 7.553 1.00 32.51 H new ATOM 0 HB2 LYS A 29 -9.685 16.357 4.550 1.00 13.43 H new ATOM 0 HB3 LYS A 29 -10.358 17.571 5.619 1.00 13.43 H new ATOM 0 HG2 LYS A 29 -7.458 16.658 5.495 1.00 51.01 H new ATOM 0 HG3 LYS A 29 -8.099 18.199 4.960 1.00 51.01 H new ATOM 0 HD2 LYS A 29 -8.036 17.244 7.859 1.00 63.15 H new ATOM 0 HD3 LYS A 29 -6.884 18.351 7.139 1.00 63.15 H new ATOM 0 HE2 LYS A 29 -8.768 19.955 6.667 1.00 21.22 H new ATOM 0 HE3 LYS A 29 -9.873 18.858 7.471 1.00 21.22 H new ATOM 0 HZ1 LYS A 29 -9.132 20.600 8.957 1.00 15.05 H new ATOM 0 HZ2 LYS A 29 -8.581 19.092 9.510 1.00 15.05 H new ATOM 0 HZ3 LYS A 29 -7.509 20.155 8.731 1.00 15.05 H new ATOM 466 N GLY A 30 -11.262 13.638 5.975 1.00 41.22 N ATOM 467 CA GLY A 30 -12.444 12.831 5.644 1.00 54.43 C ATOM 468 C GLY A 30 -12.486 12.425 4.180 1.00 65.53 C ATOM 469 O GLY A 30 -13.474 11.831 3.730 1.00 31.20 O ATOM 0 H GLY A 30 -10.403 13.093 6.054 1.00 41.22 H new ATOM 0 HA2 GLY A 30 -12.453 11.936 6.265 1.00 54.43 H new ATOM 0 HA3 GLY A 30 -13.344 13.396 5.886 1.00 54.43 H new ATOM 473 N ASP A 31 -11.422 12.752 3.426 1.00 62.43 N ATOM 474 CA ASP A 31 -11.319 12.404 2.004 1.00 40.02 C ATOM 475 C ASP A 31 -10.939 10.926 1.845 1.00 43.11 C ATOM 476 O ASP A 31 -9.983 10.467 2.464 1.00 21.34 O ATOM 477 CB ASP A 31 -10.248 13.271 1.289 1.00 41.14 C ATOM 478 CG ASP A 31 -10.494 14.785 1.299 1.00 22.14 C ATOM 479 OD1 ASP A 31 -11.637 15.227 1.541 1.00 74.33 O ATOM 480 OD2 ASP A 31 -9.540 15.548 1.012 1.00 4.34 O ATOM 0 H ASP A 31 -10.615 13.262 3.786 1.00 62.43 H new ATOM 0 HA ASP A 31 -12.292 12.592 1.550 1.00 40.02 H new ATOM 0 HB2 ASP A 31 -9.282 13.077 1.754 1.00 41.14 H new ATOM 0 HB3 ASP A 31 -10.175 12.941 0.253 1.00 41.14 H new ATOM 485 N TYR A 32 -11.701 10.185 1.037 1.00 22.42 N ATOM 486 CA TYR A 32 -11.324 8.832 0.578 1.00 74.33 C ATOM 487 C TYR A 32 -11.015 8.872 -0.948 1.00 32.35 C ATOM 488 O TYR A 32 -9.911 8.464 -1.347 1.00 72.53 O ATOM 489 CB TYR A 32 -12.411 7.778 0.967 1.00 72.23 C ATOM 490 CG TYR A 32 -12.399 7.384 2.454 1.00 73.02 C ATOM 491 CD1 TYR A 32 -12.765 8.289 3.456 1.00 34.02 C ATOM 492 CD2 TYR A 32 -12.011 6.104 2.858 1.00 63.30 C ATOM 493 CE1 TYR A 32 -12.739 7.930 4.790 1.00 13.24 C ATOM 494 CE2 TYR A 32 -11.988 5.743 4.187 1.00 13.53 C ATOM 495 CZ TYR A 32 -12.351 6.655 5.150 1.00 0.43 C ATOM 496 OH TYR A 32 -12.324 6.290 6.479 1.00 32.20 O ATOM 0 H TYR A 32 -12.602 10.501 0.677 1.00 22.42 H new ATOM 0 HA TYR A 32 -10.415 8.509 1.086 1.00 74.33 H new ATOM 0 HB2 TYR A 32 -13.394 8.176 0.715 1.00 72.23 H new ATOM 0 HB3 TYR A 32 -12.266 6.882 0.363 1.00 72.23 H new ATOM 0 HD1 TYR A 32 -13.074 9.287 3.182 1.00 34.02 H new ATOM 0 HD2 TYR A 32 -11.722 5.380 2.110 1.00 63.30 H new ATOM 0 HE1 TYR A 32 -13.021 8.645 5.549 1.00 13.24 H new ATOM 0 HE2 TYR A 32 -11.686 4.746 4.472 1.00 13.53 H new ATOM 0 HH TYR A 32 -12.029 5.359 6.557 1.00 32.20 H new ATOM 506 N PRO A 33 -11.946 9.373 -1.856 1.00 75.03 N ATOM 507 CA PRO A 33 -11.605 9.585 -3.281 1.00 41.30 C ATOM 508 C PRO A 33 -10.770 10.866 -3.471 1.00 53.42 C ATOM 509 O PRO A 33 -9.781 10.875 -4.198 1.00 43.22 O ATOM 510 CB PRO A 33 -12.990 9.668 -4.003 1.00 21.02 C ATOM 511 CG PRO A 33 -14.022 9.361 -2.943 1.00 70.42 C ATOM 512 CD PRO A 33 -13.380 9.729 -1.625 1.00 52.33 C ATOM 0 HA PRO A 33 -10.986 8.786 -3.688 1.00 41.30 H new ATOM 0 HB2 PRO A 33 -13.150 10.658 -4.430 1.00 21.02 H new ATOM 0 HB3 PRO A 33 -13.047 8.953 -4.824 1.00 21.02 H new ATOM 0 HG2 PRO A 33 -14.934 9.935 -3.107 1.00 70.42 H new ATOM 0 HG3 PRO A 33 -14.300 8.307 -2.962 1.00 70.42 H new ATOM 0 HD2 PRO A 33 -13.504 10.787 -1.394 1.00 52.33 H new ATOM 0 HD3 PRO A 33 -13.809 9.169 -0.794 1.00 52.33 H new ATOM 520 N GLN A 34 -11.151 11.943 -2.771 1.00 12.35 N ATOM 521 CA GLN A 34 -10.493 13.257 -2.898 1.00 23.03 C ATOM 522 C GLN A 34 -9.051 13.220 -2.325 1.00 72.32 C ATOM 523 O GLN A 34 -8.188 14.003 -2.744 1.00 14.33 O ATOM 524 CB GLN A 34 -11.376 14.339 -2.221 1.00 41.12 C ATOM 525 CG GLN A 34 -10.917 15.808 -2.415 1.00 21.44 C ATOM 526 CD GLN A 34 -11.279 16.472 -3.760 1.00 30.45 C ATOM 527 OE1 GLN A 34 -11.434 15.715 -4.840 1.00 43.44 O flip ATOM 528 NE2 GLN A 34 -11.424 17.693 -3.824 1.00 52.02 N flip ATOM 0 H GLN A 34 -11.921 11.932 -2.102 1.00 12.35 H new ATOM 0 HA GLN A 34 -10.391 13.514 -3.952 1.00 23.03 H new ATOM 0 HB2 GLN A 34 -12.392 14.243 -2.604 1.00 41.12 H new ATOM 0 HB3 GLN A 34 -11.417 14.130 -1.152 1.00 41.12 H new ATOM 0 HG2 GLN A 34 -11.346 16.408 -1.612 1.00 21.44 H new ATOM 0 HG3 GLN A 34 -9.834 15.845 -2.297 1.00 21.44 H new ATOM 0 HE21 GLN A 34 -11.303 18.265 -2.989 1.00 52.02 H new ATOM 0 HE22 GLN A 34 -11.665 18.132 -4.712 1.00 52.02 H new ATOM 537 N ALA A 35 -8.795 12.269 -1.389 1.00 51.05 N ATOM 538 CA ALA A 35 -7.438 11.987 -0.876 1.00 71.34 C ATOM 539 C ALA A 35 -6.544 11.456 -2.007 1.00 52.45 C ATOM 540 O ALA A 35 -5.351 11.743 -2.042 1.00 12.05 O ATOM 541 CB ALA A 35 -7.476 10.988 0.298 1.00 62.20 C ATOM 0 H ALA A 35 -9.520 11.683 -0.975 1.00 51.05 H new ATOM 0 HA ALA A 35 -7.018 12.921 -0.502 1.00 71.34 H new ATOM 0 HB1 ALA A 35 -6.462 10.803 0.651 1.00 62.20 H new ATOM 0 HB2 ALA A 35 -8.073 11.403 1.110 1.00 62.20 H new ATOM 0 HB3 ALA A 35 -7.921 10.051 -0.036 1.00 62.20 H new ATOM 547 N MET A 36 -7.159 10.714 -2.958 1.00 11.45 N ATOM 548 CA MET A 36 -6.453 10.157 -4.122 1.00 60.45 C ATOM 549 C MET A 36 -5.921 11.286 -5.020 1.00 34.41 C ATOM 550 O MET A 36 -4.760 11.259 -5.421 1.00 31.35 O ATOM 551 CB MET A 36 -7.367 9.124 -4.877 1.00 33.24 C ATOM 552 CG MET A 36 -7.014 8.826 -6.351 1.00 61.14 C ATOM 553 SD MET A 36 -7.714 10.034 -7.496 1.00 13.01 S ATOM 554 CE MET A 36 -9.479 9.775 -7.265 1.00 52.50 C ATOM 0 H MET A 36 -8.154 10.489 -2.935 1.00 11.45 H new ATOM 0 HA MET A 36 -5.578 9.599 -3.788 1.00 60.45 H new ATOM 0 HB2 MET A 36 -7.344 8.184 -4.326 1.00 33.24 H new ATOM 0 HB3 MET A 36 -8.393 9.489 -4.841 1.00 33.24 H new ATOM 0 HG2 MET A 36 -5.930 8.811 -6.464 1.00 61.14 H new ATOM 0 HG3 MET A 36 -7.376 7.832 -6.613 1.00 61.14 H new ATOM 0 HE1 MET A 36 -9.970 9.724 -8.237 1.00 52.50 H new ATOM 0 HE2 MET A 36 -9.642 8.841 -6.727 1.00 52.50 H new ATOM 0 HE3 MET A 36 -9.896 10.602 -6.691 1.00 52.50 H new ATOM 564 N LYS A 37 -6.762 12.314 -5.244 1.00 11.21 N ATOM 565 CA LYS A 37 -6.405 13.502 -6.056 1.00 21.04 C ATOM 566 C LYS A 37 -5.368 14.383 -5.332 1.00 14.51 C ATOM 567 O LYS A 37 -4.445 14.924 -5.954 1.00 74.21 O ATOM 568 CB LYS A 37 -7.690 14.309 -6.382 1.00 52.03 C ATOM 569 CG LYS A 37 -8.724 13.483 -7.172 1.00 51.31 C ATOM 570 CD LYS A 37 -9.976 14.285 -7.589 1.00 65.45 C ATOM 571 CE LYS A 37 -10.961 13.446 -8.427 1.00 72.43 C ATOM 572 NZ LYS A 37 -12.190 14.206 -8.784 1.00 63.14 N ATOM 0 H LYS A 37 -7.710 12.348 -4.868 1.00 11.21 H new ATOM 0 HA LYS A 37 -5.948 13.167 -6.987 1.00 21.04 H new ATOM 0 HB2 LYS A 37 -8.142 14.657 -5.453 1.00 52.03 H new ATOM 0 HB3 LYS A 37 -7.422 15.195 -6.957 1.00 52.03 H new ATOM 0 HG2 LYS A 37 -8.247 13.081 -8.066 1.00 51.31 H new ATOM 0 HG3 LYS A 37 -9.035 12.632 -6.566 1.00 51.31 H new ATOM 0 HD2 LYS A 37 -10.483 14.651 -6.696 1.00 65.45 H new ATOM 0 HD3 LYS A 37 -9.669 15.160 -8.163 1.00 65.45 H new ATOM 0 HE2 LYS A 37 -10.466 13.112 -9.339 1.00 72.43 H new ATOM 0 HE3 LYS A 37 -11.239 12.552 -7.869 1.00 72.43 H new ATOM 0 HZ1 LYS A 37 -12.821 13.601 -9.347 1.00 63.14 H new ATOM 0 HZ2 LYS A 37 -12.679 14.503 -7.916 1.00 63.14 H new ATOM 0 HZ3 LYS A 37 -11.930 15.046 -9.339 1.00 63.14 H new ATOM 586 N HIS A 38 -5.532 14.494 -4.006 1.00 3.44 N ATOM 587 CA HIS A 38 -4.612 15.260 -3.132 1.00 1.31 C ATOM 588 C HIS A 38 -3.240 14.567 -2.968 1.00 23.41 C ATOM 589 O HIS A 38 -2.265 15.208 -2.565 1.00 62.43 O ATOM 590 CB HIS A 38 -5.271 15.539 -1.761 1.00 43.01 C ATOM 591 CG HIS A 38 -6.355 16.591 -1.801 1.00 61.42 C ATOM 592 ND1 HIS A 38 -7.514 16.524 -1.057 1.00 5.55 N ATOM 593 CD2 HIS A 38 -6.409 17.776 -2.453 1.00 70.30 C ATOM 594 CE1 HIS A 38 -8.221 17.619 -1.251 1.00 61.10 C ATOM 595 NE2 HIS A 38 -7.571 18.392 -2.087 1.00 12.41 N ATOM 0 H HIS A 38 -6.304 14.058 -3.503 1.00 3.44 H new ATOM 0 HA HIS A 38 -4.418 16.214 -3.622 1.00 1.31 H new ATOM 0 HB2 HIS A 38 -5.694 14.611 -1.378 1.00 43.01 H new ATOM 0 HB3 HIS A 38 -4.501 15.853 -1.057 1.00 43.01 H new ATOM 0 HD2 HIS A 38 -5.669 18.163 -3.137 1.00 70.30 H new ATOM 0 HE1 HIS A 38 -9.175 17.842 -0.798 1.00 61.10 H new ATOM 0 HE2 HIS A 38 -7.883 19.307 -2.412 1.00 12.41 H new ATOM 604 N TYR A 39 -3.177 13.252 -3.222 1.00 52.33 N ATOM 605 CA TYR A 39 -1.897 12.533 -3.371 1.00 13.21 C ATOM 606 C TYR A 39 -1.368 12.625 -4.821 1.00 63.43 C ATOM 607 O TYR A 39 -0.161 12.579 -5.020 1.00 12.41 O ATOM 608 CB TYR A 39 -2.024 11.047 -2.955 1.00 41.02 C ATOM 609 CG TYR A 39 -1.984 10.748 -1.441 1.00 64.04 C ATOM 610 CD1 TYR A 39 -0.827 10.973 -0.686 1.00 42.12 C ATOM 611 CD2 TYR A 39 -3.076 10.182 -0.782 1.00 62.31 C ATOM 612 CE1 TYR A 39 -0.776 10.644 0.660 1.00 12.33 C ATOM 613 CE2 TYR A 39 -3.024 9.841 0.550 1.00 10.24 C ATOM 614 CZ TYR A 39 -1.880 10.074 1.268 1.00 10.21 C ATOM 615 OH TYR A 39 -1.827 9.704 2.592 1.00 70.15 O ATOM 0 H TYR A 39 -4.000 12.660 -3.330 1.00 52.33 H new ATOM 0 HA TYR A 39 -1.184 13.018 -2.704 1.00 13.21 H new ATOM 0 HB2 TYR A 39 -2.962 10.660 -3.354 1.00 41.02 H new ATOM 0 HB3 TYR A 39 -1.219 10.489 -3.434 1.00 41.02 H new ATOM 0 HD1 TYR A 39 0.040 11.410 -1.159 1.00 42.12 H new ATOM 0 HD2 TYR A 39 -3.988 10.007 -1.333 1.00 62.31 H new ATOM 0 HE1 TYR A 39 0.121 10.832 1.231 1.00 12.33 H new ATOM 0 HE2 TYR A 39 -3.882 9.391 1.028 1.00 10.24 H new ATOM 0 HH TYR A 39 -1.065 10.144 3.024 1.00 70.15 H new ATOM 625 N THR A 40 -2.267 12.731 -5.830 1.00 14.15 N ATOM 626 CA THR A 40 -1.868 12.736 -7.263 1.00 72.41 C ATOM 627 C THR A 40 -0.919 13.922 -7.567 1.00 72.44 C ATOM 628 O THR A 40 0.094 13.751 -8.254 1.00 72.14 O ATOM 629 CB THR A 40 -3.115 12.776 -8.217 1.00 15.44 C ATOM 630 OG1 THR A 40 -3.968 11.641 -7.979 1.00 23.41 O ATOM 631 CG2 THR A 40 -2.719 12.777 -9.705 1.00 64.40 C ATOM 0 H THR A 40 -3.273 12.814 -5.680 1.00 14.15 H new ATOM 0 HA THR A 40 -1.336 11.804 -7.452 1.00 72.41 H new ATOM 0 HB THR A 40 -3.639 13.706 -7.996 1.00 15.44 H new ATOM 0 HG1 THR A 40 -4.321 11.683 -7.066 1.00 23.41 H new ATOM 0 HG21 THR A 40 -3.618 12.805 -10.321 1.00 64.40 H new ATOM 0 HG22 THR A 40 -2.106 13.653 -9.918 1.00 64.40 H new ATOM 0 HG23 THR A 40 -2.152 11.874 -9.931 1.00 64.40 H new ATOM 639 N GLU A 41 -1.247 15.099 -7.000 1.00 22.11 N ATOM 640 CA GLU A 41 -0.404 16.312 -7.078 1.00 62.34 C ATOM 641 C GLU A 41 1.004 16.068 -6.478 1.00 45.22 C ATOM 642 O GLU A 41 2.009 16.585 -6.982 1.00 41.14 O ATOM 643 CB GLU A 41 -1.119 17.488 -6.359 1.00 51.31 C ATOM 644 CG GLU A 41 -1.462 17.219 -4.883 1.00 74.32 C ATOM 645 CD GLU A 41 -2.173 18.389 -4.190 1.00 72.03 C ATOM 646 OE1 GLU A 41 -1.490 19.297 -3.671 1.00 54.32 O ATOM 647 OE2 GLU A 41 -3.423 18.420 -4.162 1.00 33.12 O ATOM 0 H GLU A 41 -2.108 15.238 -6.472 1.00 22.11 H new ATOM 0 HA GLU A 41 -0.262 16.568 -8.128 1.00 62.34 H new ATOM 0 HB2 GLU A 41 -0.484 18.372 -6.416 1.00 51.31 H new ATOM 0 HB3 GLU A 41 -2.039 17.721 -6.896 1.00 51.31 H new ATOM 0 HG2 GLU A 41 -2.095 16.334 -4.822 1.00 74.32 H new ATOM 0 HG3 GLU A 41 -0.544 16.992 -4.342 1.00 74.32 H new ATOM 654 N ALA A 42 1.054 15.245 -5.414 1.00 34.04 N ATOM 655 CA ALA A 42 2.301 14.861 -4.744 1.00 21.51 C ATOM 656 C ALA A 42 3.101 13.845 -5.591 1.00 5.22 C ATOM 657 O ALA A 42 4.317 13.862 -5.562 1.00 43.04 O ATOM 658 CB ALA A 42 1.996 14.319 -3.342 1.00 74.31 C ATOM 0 H ALA A 42 0.223 14.828 -4.996 1.00 34.04 H new ATOM 0 HA ALA A 42 2.929 15.746 -4.637 1.00 21.51 H new ATOM 0 HB1 ALA A 42 2.927 14.036 -2.851 1.00 74.31 H new ATOM 0 HB2 ALA A 42 1.496 15.089 -2.755 1.00 74.31 H new ATOM 0 HB3 ALA A 42 1.348 13.446 -3.422 1.00 74.31 H new ATOM 664 N ILE A 43 2.403 12.978 -6.358 1.00 51.12 N ATOM 665 CA ILE A 43 3.041 12.024 -7.307 1.00 20.33 C ATOM 666 C ILE A 43 3.692 12.801 -8.488 1.00 71.42 C ATOM 667 O ILE A 43 4.724 12.385 -9.024 1.00 64.44 O ATOM 668 CB ILE A 43 1.997 10.911 -7.811 1.00 3.33 C ATOM 669 CG1 ILE A 43 1.942 9.678 -6.838 1.00 44.32 C ATOM 670 CG2 ILE A 43 2.273 10.413 -9.253 1.00 25.44 C ATOM 671 CD1 ILE A 43 1.484 9.967 -5.424 1.00 14.44 C ATOM 0 H ILE A 43 1.385 12.916 -6.341 1.00 51.12 H new ATOM 0 HA ILE A 43 3.833 11.487 -6.785 1.00 20.33 H new ATOM 0 HB ILE A 43 1.030 11.415 -7.814 1.00 3.33 H new ATOM 0 HG12 ILE A 43 1.276 8.930 -7.269 1.00 44.32 H new ATOM 0 HG13 ILE A 43 2.935 9.232 -6.793 1.00 44.32 H new ATOM 0 HG21 ILE A 43 1.531 9.664 -9.527 1.00 25.44 H new ATOM 0 HG22 ILE A 43 2.214 11.253 -9.945 1.00 25.44 H new ATOM 0 HG23 ILE A 43 3.269 9.972 -9.301 1.00 25.44 H new ATOM 0 HD11 ILE A 43 1.486 9.043 -4.845 1.00 14.44 H new ATOM 0 HD12 ILE A 43 2.161 10.686 -4.962 1.00 14.44 H new ATOM 0 HD13 ILE A 43 0.475 10.380 -5.445 1.00 14.44 H new ATOM 683 N LYS A 44 3.084 13.951 -8.863 1.00 11.11 N ATOM 684 CA LYS A 44 3.630 14.852 -9.915 1.00 3.12 C ATOM 685 C LYS A 44 4.932 15.532 -9.434 1.00 53.42 C ATOM 686 O LYS A 44 5.807 15.861 -10.238 1.00 72.21 O ATOM 687 CB LYS A 44 2.578 15.923 -10.325 1.00 43.41 C ATOM 688 CG LYS A 44 1.220 15.343 -10.783 1.00 14.52 C ATOM 689 CD LYS A 44 1.337 14.340 -11.959 1.00 74.25 C ATOM 690 CE LYS A 44 -0.017 13.711 -12.333 1.00 1.10 C ATOM 691 NZ LYS A 44 -1.015 14.721 -12.776 1.00 55.34 N ATOM 0 H LYS A 44 2.211 14.281 -8.452 1.00 11.11 H new ATOM 0 HA LYS A 44 3.862 14.245 -10.790 1.00 3.12 H new ATOM 0 HB2 LYS A 44 2.408 16.590 -9.480 1.00 43.41 H new ATOM 0 HB3 LYS A 44 2.990 16.530 -11.131 1.00 43.41 H new ATOM 0 HG2 LYS A 44 0.744 14.845 -9.938 1.00 14.52 H new ATOM 0 HG3 LYS A 44 0.566 16.163 -11.080 1.00 14.52 H new ATOM 0 HD2 LYS A 44 1.749 14.851 -12.829 1.00 74.25 H new ATOM 0 HD3 LYS A 44 2.039 13.551 -11.691 1.00 74.25 H new ATOM 0 HE2 LYS A 44 0.133 12.981 -13.129 1.00 1.10 H new ATOM 0 HE3 LYS A 44 -0.411 13.169 -11.473 1.00 1.10 H new ATOM 0 HZ1 LYS A 44 -1.891 14.240 -13.064 1.00 55.34 H new ATOM 0 HZ2 LYS A 44 -1.220 15.374 -11.993 1.00 55.34 H new ATOM 0 HZ3 LYS A 44 -0.633 15.256 -13.582 1.00 55.34 H new ATOM 705 N ARG A 45 5.026 15.727 -8.109 1.00 73.13 N ATOM 706 CA ARG A 45 6.193 16.322 -7.434 1.00 12.43 C ATOM 707 C ARG A 45 7.320 15.288 -7.230 1.00 30.25 C ATOM 708 O ARG A 45 8.483 15.544 -7.569 1.00 61.25 O ATOM 709 CB ARG A 45 5.753 16.895 -6.063 1.00 71.43 C ATOM 710 CG ARG A 45 4.838 18.136 -6.112 1.00 63.40 C ATOM 711 CD ARG A 45 5.531 19.394 -6.673 1.00 55.02 C ATOM 712 NE ARG A 45 5.540 19.432 -8.146 1.00 50.20 N ATOM 713 CZ ARG A 45 4.627 20.057 -8.904 1.00 0.43 C ATOM 714 NH1 ARG A 45 3.615 20.724 -8.349 1.00 64.24 N ATOM 715 NH2 ARG A 45 4.746 20.037 -10.220 1.00 23.53 N ATOM 0 H ARG A 45 4.279 15.471 -7.463 1.00 73.13 H new ATOM 0 HA ARG A 45 6.584 17.119 -8.067 1.00 12.43 H new ATOM 0 HB2 ARG A 45 5.237 16.109 -5.512 1.00 71.43 H new ATOM 0 HB3 ARG A 45 6.647 17.149 -5.494 1.00 71.43 H new ATOM 0 HG2 ARG A 45 3.965 17.909 -6.724 1.00 63.40 H new ATOM 0 HG3 ARG A 45 4.475 18.349 -5.106 1.00 63.40 H new ATOM 0 HD2 ARG A 45 5.024 20.282 -6.294 1.00 55.02 H new ATOM 0 HD3 ARG A 45 6.557 19.432 -6.307 1.00 55.02 H new ATOM 0 HE ARG A 45 6.298 18.946 -8.625 1.00 50.20 H new ATOM 0 HH11 ARG A 45 3.527 20.764 -7.334 1.00 64.24 H new ATOM 0 HH12 ARG A 45 2.929 21.194 -8.940 1.00 64.24 H new ATOM 0 HH21 ARG A 45 5.529 19.548 -10.654 1.00 23.53 H new ATOM 0 HH22 ARG A 45 4.055 20.510 -10.802 1.00 23.53 H new ATOM 729 N ASN A 46 6.957 14.119 -6.667 1.00 2.55 N ATOM 730 CA ASN A 46 7.905 13.033 -6.333 1.00 71.03 C ATOM 731 C ASN A 46 7.366 11.657 -6.805 1.00 73.23 C ATOM 732 O ASN A 46 6.824 10.883 -6.016 1.00 65.03 O ATOM 733 CB ASN A 46 8.310 13.050 -4.805 1.00 11.03 C ATOM 734 CG ASN A 46 7.178 13.202 -3.758 1.00 45.03 C ATOM 735 OD1 ASN A 46 6.026 12.583 -3.946 1.00 11.45 O flip ATOM 736 ND2 ASN A 46 7.369 13.848 -2.733 1.00 74.05 N flip ATOM 0 H ASN A 46 5.990 13.898 -6.429 1.00 2.55 H new ATOM 0 HA ASN A 46 8.828 13.213 -6.884 1.00 71.03 H new ATOM 0 HB2 ASN A 46 8.843 12.124 -4.590 1.00 11.03 H new ATOM 0 HB3 ASN A 46 9.016 13.866 -4.655 1.00 11.03 H new ATOM 0 HD21 ASN A 46 8.259 14.325 -2.589 1.00 74.05 H new ATOM 0 HD22 ASN A 46 6.638 13.908 -2.024 1.00 74.05 H new ATOM 743 N PRO A 47 7.533 11.317 -8.129 1.00 23.34 N ATOM 744 CA PRO A 47 7.132 9.995 -8.678 1.00 53.33 C ATOM 745 C PRO A 47 8.165 8.898 -8.355 1.00 21.05 C ATOM 746 O PRO A 47 8.017 7.749 -8.771 1.00 42.31 O ATOM 747 CB PRO A 47 7.055 10.271 -10.194 1.00 53.00 C ATOM 748 CG PRO A 47 8.117 11.301 -10.436 1.00 1.15 C ATOM 749 CD PRO A 47 8.134 12.179 -9.196 1.00 53.43 C ATOM 0 HA PRO A 47 6.199 9.622 -8.255 1.00 53.33 H new ATOM 0 HB2 PRO A 47 7.239 9.366 -10.773 1.00 53.00 H new ATOM 0 HB3 PRO A 47 6.070 10.639 -10.482 1.00 53.00 H new ATOM 0 HG2 PRO A 47 9.088 10.831 -10.596 1.00 1.15 H new ATOM 0 HG3 PRO A 47 7.896 11.888 -11.328 1.00 1.15 H new ATOM 0 HD2 PRO A 47 9.148 12.484 -8.938 1.00 53.43 H new ATOM 0 HD3 PRO A 47 7.555 13.090 -9.345 1.00 53.43 H new ATOM 757 N LYS A 48 9.224 9.304 -7.637 1.00 51.44 N ATOM 758 CA LYS A 48 10.287 8.428 -7.137 1.00 43.43 C ATOM 759 C LYS A 48 9.927 7.906 -5.740 1.00 21.24 C ATOM 760 O LYS A 48 10.426 6.863 -5.312 1.00 13.41 O ATOM 761 CB LYS A 48 11.624 9.220 -7.060 1.00 32.40 C ATOM 762 CG LYS A 48 11.997 9.980 -8.343 1.00 3.52 C ATOM 763 CD LYS A 48 12.198 9.054 -9.558 1.00 21.54 C ATOM 764 CE LYS A 48 12.542 9.839 -10.830 1.00 33.34 C ATOM 765 NZ LYS A 48 13.834 10.565 -10.708 1.00 11.41 N ATOM 0 H LYS A 48 9.365 10.282 -7.382 1.00 51.44 H new ATOM 0 HA LYS A 48 10.398 7.584 -7.818 1.00 43.43 H new ATOM 0 HB2 LYS A 48 11.561 9.933 -6.238 1.00 32.40 H new ATOM 0 HB3 LYS A 48 12.428 8.525 -6.819 1.00 32.40 H new ATOM 0 HG2 LYS A 48 11.214 10.703 -8.571 1.00 3.52 H new ATOM 0 HG3 LYS A 48 12.912 10.546 -8.170 1.00 3.52 H new ATOM 0 HD2 LYS A 48 12.996 8.343 -9.344 1.00 21.54 H new ATOM 0 HD3 LYS A 48 11.291 8.473 -9.725 1.00 21.54 H new ATOM 0 HE2 LYS A 48 12.590 9.154 -11.676 1.00 33.34 H new ATOM 0 HE3 LYS A 48 11.745 10.552 -11.042 1.00 33.34 H new ATOM 0 HZ1 LYS A 48 14.102 10.955 -11.634 1.00 11.41 H new ATOM 0 HZ2 LYS A 48 13.733 11.340 -10.022 1.00 11.41 H new ATOM 0 HZ3 LYS A 48 14.572 9.908 -10.382 1.00 11.41 H new ATOM 779 N ASP A 49 9.057 8.654 -5.029 1.00 32.42 N ATOM 780 CA ASP A 49 8.744 8.397 -3.614 1.00 1.51 C ATOM 781 C ASP A 49 7.790 7.199 -3.487 1.00 74.51 C ATOM 782 O ASP A 49 6.609 7.300 -3.822 1.00 31.15 O ATOM 783 CB ASP A 49 8.111 9.651 -2.952 1.00 44.33 C ATOM 784 CG ASP A 49 8.159 9.579 -1.419 1.00 42.41 C ATOM 785 OD1 ASP A 49 7.334 8.865 -0.827 1.00 24.23 O ATOM 786 OD2 ASP A 49 9.044 10.208 -0.803 1.00 3.03 O ATOM 0 H ASP A 49 8.555 9.450 -5.422 1.00 32.42 H new ATOM 0 HA ASP A 49 9.676 8.166 -3.097 1.00 1.51 H new ATOM 0 HB2 ASP A 49 8.637 10.544 -3.290 1.00 44.33 H new ATOM 0 HB3 ASP A 49 7.076 9.749 -3.278 1.00 44.33 H new ATOM 791 N ALA A 50 8.314 6.078 -2.979 1.00 24.45 N ATOM 792 CA ALA A 50 7.589 4.799 -2.926 1.00 51.34 C ATOM 793 C ALA A 50 6.552 4.738 -1.802 1.00 52.41 C ATOM 794 O ALA A 50 5.574 3.994 -1.917 1.00 51.01 O ATOM 795 CB ALA A 50 8.574 3.653 -2.794 1.00 65.01 C ATOM 0 H ALA A 50 9.256 6.030 -2.591 1.00 24.45 H new ATOM 0 HA ALA A 50 7.036 4.711 -3.861 1.00 51.34 H new ATOM 0 HB1 ALA A 50 8.031 2.709 -2.755 1.00 65.01 H new ATOM 0 HB2 ALA A 50 9.246 3.650 -3.652 1.00 65.01 H new ATOM 0 HB3 ALA A 50 9.154 3.775 -1.879 1.00 65.01 H new ATOM 801 N LYS A 51 6.763 5.492 -0.701 1.00 65.40 N ATOM 802 CA LYS A 51 5.813 5.480 0.432 1.00 71.43 C ATOM 803 C LYS A 51 4.568 6.310 0.087 1.00 11.41 C ATOM 804 O LYS A 51 3.505 6.131 0.681 1.00 54.24 O ATOM 805 CB LYS A 51 6.483 5.896 1.785 1.00 41.41 C ATOM 806 CG LYS A 51 6.933 7.371 1.986 1.00 31.01 C ATOM 807 CD LYS A 51 5.799 8.409 2.285 1.00 3.51 C ATOM 808 CE LYS A 51 4.976 8.128 3.566 1.00 40.25 C ATOM 809 NZ LYS A 51 4.051 6.964 3.449 1.00 15.03 N ATOM 0 H LYS A 51 7.568 6.106 -0.573 1.00 65.40 H new ATOM 0 HA LYS A 51 5.486 4.453 0.592 1.00 71.43 H new ATOM 0 HB2 LYS A 51 5.784 5.654 2.585 1.00 41.41 H new ATOM 0 HB3 LYS A 51 7.359 5.263 1.925 1.00 41.41 H new ATOM 0 HG2 LYS A 51 7.649 7.401 2.807 1.00 31.01 H new ATOM 0 HG3 LYS A 51 7.463 7.692 1.089 1.00 31.01 H new ATOM 0 HD2 LYS A 51 6.246 9.399 2.369 1.00 3.51 H new ATOM 0 HD3 LYS A 51 5.119 8.437 1.433 1.00 3.51 H new ATOM 0 HE2 LYS A 51 5.662 7.952 4.395 1.00 40.25 H new ATOM 0 HE3 LYS A 51 4.396 9.017 3.815 1.00 40.25 H new ATOM 0 HZ1 LYS A 51 3.139 7.200 3.890 1.00 15.03 H new ATOM 0 HZ2 LYS A 51 3.902 6.738 2.445 1.00 15.03 H new ATOM 0 HZ3 LYS A 51 4.466 6.141 3.931 1.00 15.03 H new ATOM 823 N LEU A 52 4.730 7.234 -0.872 1.00 73.03 N ATOM 824 CA LEU A 52 3.610 7.952 -1.502 1.00 51.42 C ATOM 825 C LEU A 52 2.698 6.942 -2.220 1.00 14.32 C ATOM 826 O LEU A 52 1.469 7.035 -2.127 1.00 10.42 O ATOM 827 CB LEU A 52 4.154 9.067 -2.471 1.00 31.12 C ATOM 828 CG LEU A 52 4.015 10.543 -1.958 1.00 62.42 C ATOM 829 CD1 LEU A 52 2.537 10.997 -1.908 1.00 31.24 C ATOM 830 CD2 LEU A 52 4.692 10.737 -0.575 1.00 10.14 C ATOM 0 H LEU A 52 5.644 7.506 -1.234 1.00 73.03 H new ATOM 0 HA LEU A 52 3.014 8.458 -0.743 1.00 51.42 H new ATOM 0 HB2 LEU A 52 5.207 8.868 -2.668 1.00 31.12 H new ATOM 0 HB3 LEU A 52 3.630 8.982 -3.423 1.00 31.12 H new ATOM 0 HG LEU A 52 4.535 11.174 -2.679 1.00 62.42 H new ATOM 0 HD11 LEU A 52 2.484 12.024 -1.548 1.00 31.24 H new ATOM 0 HD12 LEU A 52 2.105 10.940 -2.907 1.00 31.24 H new ATOM 0 HD13 LEU A 52 1.979 10.347 -1.234 1.00 31.24 H new ATOM 0 HD21 LEU A 52 4.574 11.772 -0.254 1.00 10.14 H new ATOM 0 HD22 LEU A 52 4.225 10.075 0.155 1.00 10.14 H new ATOM 0 HD23 LEU A 52 5.753 10.500 -0.653 1.00 10.14 H new ATOM 842 N TYR A 53 3.333 5.952 -2.878 1.00 11.44 N ATOM 843 CA TYR A 53 2.632 4.840 -3.536 1.00 61.33 C ATOM 844 C TYR A 53 2.056 3.836 -2.509 1.00 23.13 C ATOM 845 O TYR A 53 0.951 3.363 -2.695 1.00 44.13 O ATOM 846 CB TYR A 53 3.556 4.127 -4.556 1.00 11.21 C ATOM 847 CG TYR A 53 3.954 5.016 -5.752 1.00 32.42 C ATOM 848 CD1 TYR A 53 3.032 5.323 -6.756 1.00 24.25 C ATOM 849 CD2 TYR A 53 5.234 5.553 -5.878 1.00 12.35 C ATOM 850 CE1 TYR A 53 3.371 6.128 -7.826 1.00 54.14 C ATOM 851 CE2 TYR A 53 5.575 6.362 -6.946 1.00 12.25 C ATOM 852 CZ TYR A 53 4.645 6.644 -7.920 1.00 31.15 C ATOM 853 OH TYR A 53 4.992 7.440 -8.997 1.00 50.45 O ATOM 0 H TYR A 53 4.348 5.904 -2.966 1.00 11.44 H new ATOM 0 HA TYR A 53 1.789 5.264 -4.081 1.00 61.33 H new ATOM 0 HB2 TYR A 53 4.459 3.794 -4.045 1.00 11.21 H new ATOM 0 HB3 TYR A 53 3.053 3.235 -4.928 1.00 11.21 H new ATOM 0 HD1 TYR A 53 2.031 4.922 -6.694 1.00 24.25 H new ATOM 0 HD2 TYR A 53 5.976 5.332 -5.125 1.00 12.35 H new ATOM 0 HE1 TYR A 53 2.639 6.353 -8.587 1.00 54.14 H new ATOM 0 HE2 TYR A 53 6.571 6.773 -7.016 1.00 12.25 H new ATOM 0 HH TYR A 53 5.963 7.576 -9.004 1.00 50.45 H new ATOM 863 N SER A 54 2.760 3.548 -1.388 1.00 72.13 N ATOM 864 CA SER A 54 2.230 2.605 -0.361 1.00 33.03 C ATOM 865 C SER A 54 0.920 3.160 0.260 1.00 53.31 C ATOM 866 O SER A 54 0.079 2.399 0.751 1.00 54.13 O ATOM 867 CB SER A 54 3.278 2.290 0.740 1.00 33.23 C ATOM 868 OG SER A 54 3.605 3.428 1.528 1.00 4.24 O ATOM 0 H SER A 54 3.675 3.942 -1.170 1.00 72.13 H new ATOM 0 HA SER A 54 2.007 1.664 -0.864 1.00 33.03 H new ATOM 0 HB2 SER A 54 2.893 1.503 1.388 1.00 33.23 H new ATOM 0 HB3 SER A 54 4.184 1.904 0.273 1.00 33.23 H new ATOM 0 HG SER A 54 3.381 4.244 1.033 1.00 4.24 H new ATOM 874 N ASN A 55 0.777 4.507 0.209 1.00 32.11 N ATOM 875 CA ASN A 55 -0.446 5.230 0.622 1.00 24.35 C ATOM 876 C ASN A 55 -1.498 5.236 -0.506 1.00 75.11 C ATOM 877 O ASN A 55 -2.701 5.321 -0.233 1.00 33.31 O ATOM 878 CB ASN A 55 -0.098 6.689 1.030 1.00 50.10 C ATOM 879 CG ASN A 55 0.738 6.792 2.310 1.00 72.13 C ATOM 880 OD1 ASN A 55 1.499 5.886 2.658 1.00 53.40 O ATOM 881 ND2 ASN A 55 0.611 7.903 3.010 1.00 5.35 N ATOM 0 H ASN A 55 1.516 5.126 -0.124 1.00 32.11 H new ATOM 0 HA ASN A 55 -0.869 4.709 1.481 1.00 24.35 H new ATOM 0 HB2 ASN A 55 0.445 7.165 0.213 1.00 50.10 H new ATOM 0 HB3 ASN A 55 -1.023 7.249 1.166 1.00 50.10 H new ATOM 0 HD21 ASN A 55 1.151 8.031 3.866 1.00 5.35 H new ATOM 0 HD22 ASN A 55 -0.027 8.634 2.695 1.00 5.35 H new ATOM 888 N ARG A 56 -1.034 5.176 -1.776 1.00 21.33 N ATOM 889 CA ARG A 56 -1.926 5.082 -2.951 1.00 51.43 C ATOM 890 C ARG A 56 -2.678 3.742 -2.946 1.00 61.12 C ATOM 891 O ARG A 56 -3.910 3.727 -2.953 1.00 71.41 O ATOM 892 CB ARG A 56 -1.155 5.269 -4.296 1.00 0.31 C ATOM 893 CG ARG A 56 -0.561 6.673 -4.579 1.00 62.14 C ATOM 894 CD ARG A 56 -1.618 7.743 -4.898 1.00 12.33 C ATOM 895 NE ARG A 56 -2.501 8.014 -3.749 1.00 24.10 N ATOM 896 CZ ARG A 56 -3.824 7.838 -3.732 1.00 13.23 C ATOM 897 NH1 ARG A 56 -4.463 7.394 -4.802 1.00 63.21 N ATOM 898 NH2 ARG A 56 -4.495 8.072 -2.620 1.00 0.22 N ATOM 0 H ARG A 56 -0.042 5.191 -2.012 1.00 21.33 H new ATOM 0 HA ARG A 56 -2.646 5.897 -2.876 1.00 51.43 H new ATOM 0 HB2 ARG A 56 -0.340 4.545 -4.323 1.00 0.31 H new ATOM 0 HB3 ARG A 56 -1.832 5.017 -5.112 1.00 0.31 H new ATOM 0 HG2 ARG A 56 0.017 6.994 -3.712 1.00 62.14 H new ATOM 0 HG3 ARG A 56 0.133 6.601 -5.416 1.00 62.14 H new ATOM 0 HD2 ARG A 56 -1.120 8.665 -5.197 1.00 12.33 H new ATOM 0 HD3 ARG A 56 -2.219 7.416 -5.747 1.00 12.33 H new ATOM 0 HE ARG A 56 -2.065 8.365 -2.896 1.00 24.10 H new ATOM 0 HH11 ARG A 56 -3.944 7.181 -5.654 1.00 63.21 H new ATOM 0 HH12 ARG A 56 -5.474 7.264 -4.775 1.00 63.21 H new ATOM 0 HH21 ARG A 56 -4.002 8.385 -1.783 1.00 0.22 H new ATOM 0 HH22 ARG A 56 -5.506 7.940 -2.597 1.00 0.22 H new ATOM 912 N ALA A 57 -1.915 2.632 -2.916 1.00 50.23 N ATOM 913 CA ALA A 57 -2.455 1.260 -2.793 1.00 15.40 C ATOM 914 C ALA A 57 -3.378 1.112 -1.560 1.00 3.11 C ATOM 915 O ALA A 57 -4.423 0.449 -1.620 1.00 2.14 O ATOM 916 CB ALA A 57 -1.296 0.246 -2.733 1.00 32.42 C ATOM 0 H ALA A 57 -0.897 2.661 -2.977 1.00 50.23 H new ATOM 0 HA ALA A 57 -3.064 1.057 -3.674 1.00 15.40 H new ATOM 0 HB1 ALA A 57 -1.699 -0.763 -2.642 1.00 32.42 H new ATOM 0 HB2 ALA A 57 -0.701 0.319 -3.644 1.00 32.42 H new ATOM 0 HB3 ALA A 57 -0.666 0.464 -1.870 1.00 32.42 H new ATOM 922 N ALA A 58 -2.982 1.777 -0.455 1.00 71.25 N ATOM 923 CA ALA A 58 -3.749 1.799 0.805 1.00 53.22 C ATOM 924 C ALA A 58 -5.080 2.565 0.672 1.00 20.25 C ATOM 925 O ALA A 58 -6.022 2.282 1.400 1.00 61.30 O ATOM 926 CB ALA A 58 -2.890 2.403 1.927 1.00 13.24 C ATOM 0 H ALA A 58 -2.117 2.316 -0.413 1.00 71.25 H new ATOM 0 HA ALA A 58 -4.003 0.768 1.053 1.00 53.22 H new ATOM 0 HB1 ALA A 58 -3.461 2.417 2.855 1.00 13.24 H new ATOM 0 HB2 ALA A 58 -1.992 1.800 2.062 1.00 13.24 H new ATOM 0 HB3 ALA A 58 -2.607 3.421 1.660 1.00 13.24 H new ATOM 932 N CYS A 59 -5.133 3.554 -0.232 1.00 52.22 N ATOM 933 CA CYS A 59 -6.347 4.359 -0.490 1.00 53.40 C ATOM 934 C CYS A 59 -7.318 3.619 -1.433 1.00 1.45 C ATOM 935 O CYS A 59 -8.528 3.547 -1.165 1.00 62.23 O ATOM 936 CB CYS A 59 -5.926 5.715 -1.099 1.00 23.05 C ATOM 937 SG CYS A 59 -7.281 6.818 -1.585 1.00 34.22 S ATOM 0 H CYS A 59 -4.336 3.823 -0.809 1.00 52.22 H new ATOM 0 HA CYS A 59 -6.872 4.524 0.451 1.00 53.40 H new ATOM 0 HB2 CYS A 59 -5.299 6.237 -0.376 1.00 23.05 H new ATOM 0 HB3 CYS A 59 -5.308 5.522 -1.976 1.00 23.05 H new ATOM 0 HG CYS A 59 -6.978 8.042 -1.270 1.00 34.22 H new ATOM 943 N TYR A 60 -6.754 3.038 -2.519 1.00 42.50 N ATOM 944 CA TYR A 60 -7.531 2.399 -3.609 1.00 41.12 C ATOM 945 C TYR A 60 -8.383 1.226 -3.106 1.00 75.24 C ATOM 946 O TYR A 60 -9.451 0.960 -3.651 1.00 55.25 O ATOM 947 CB TYR A 60 -6.589 1.927 -4.750 1.00 34.22 C ATOM 948 CG TYR A 60 -5.915 3.066 -5.531 1.00 64.13 C ATOM 949 CD1 TYR A 60 -6.626 4.221 -5.886 1.00 3.12 C ATOM 950 CD2 TYR A 60 -4.579 2.983 -5.932 1.00 42.13 C ATOM 951 CE1 TYR A 60 -6.025 5.241 -6.598 1.00 3.42 C ATOM 952 CE2 TYR A 60 -3.980 4.002 -6.646 1.00 53.32 C ATOM 953 CZ TYR A 60 -4.703 5.127 -6.976 1.00 13.05 C ATOM 954 OH TYR A 60 -4.097 6.165 -7.658 1.00 21.13 O ATOM 0 H TYR A 60 -5.745 2.999 -2.664 1.00 42.50 H new ATOM 0 HA TYR A 60 -8.213 3.155 -3.998 1.00 41.12 H new ATOM 0 HB2 TYR A 60 -5.816 1.288 -4.325 1.00 34.22 H new ATOM 0 HB3 TYR A 60 -7.161 1.314 -5.447 1.00 34.22 H new ATOM 0 HD1 TYR A 60 -7.663 4.315 -5.598 1.00 3.12 H new ATOM 0 HD2 TYR A 60 -4.004 2.105 -5.679 1.00 42.13 H new ATOM 0 HE1 TYR A 60 -6.588 6.125 -6.858 1.00 3.42 H new ATOM 0 HE2 TYR A 60 -2.946 3.917 -6.945 1.00 53.32 H new ATOM 0 HH TYR A 60 -3.165 5.930 -7.851 1.00 21.13 H new ATOM 964 N THR A 61 -7.903 0.549 -2.060 1.00 71.14 N ATOM 965 CA THR A 61 -8.636 -0.540 -1.401 1.00 14.04 C ATOM 966 C THR A 61 -9.984 -0.041 -0.813 1.00 64.00 C ATOM 967 O THR A 61 -11.008 -0.726 -0.932 1.00 10.53 O ATOM 968 CB THR A 61 -7.759 -1.185 -0.284 1.00 54.34 C ATOM 969 OG1 THR A 61 -7.277 -0.166 0.605 1.00 61.34 O ATOM 970 CG2 THR A 61 -6.563 -1.958 -0.875 1.00 43.52 C ATOM 0 H THR A 61 -6.992 0.740 -1.643 1.00 71.14 H new ATOM 0 HA THR A 61 -8.861 -1.296 -2.153 1.00 14.04 H new ATOM 0 HB THR A 61 -8.383 -1.892 0.262 1.00 54.34 H new ATOM 0 HG1 THR A 61 -6.728 -0.576 1.306 1.00 61.34 H new ATOM 0 HG21 THR A 61 -5.976 -2.393 -0.066 1.00 43.52 H new ATOM 0 HG22 THR A 61 -6.929 -2.752 -1.526 1.00 43.52 H new ATOM 0 HG23 THR A 61 -5.938 -1.276 -1.451 1.00 43.52 H new ATOM 978 N LYS A 62 -9.982 1.193 -0.247 1.00 64.50 N ATOM 979 CA LYS A 62 -11.198 1.817 0.347 1.00 71.10 C ATOM 980 C LYS A 62 -12.183 2.197 -0.763 1.00 25.45 C ATOM 981 O LYS A 62 -13.395 2.192 -0.562 1.00 12.20 O ATOM 982 CB LYS A 62 -10.851 3.079 1.203 1.00 33.12 C ATOM 983 CG LYS A 62 -10.248 2.792 2.601 1.00 1.33 C ATOM 984 CD LYS A 62 -8.904 2.050 2.537 1.00 75.11 C ATOM 985 CE LYS A 62 -8.297 1.762 3.912 1.00 22.34 C ATOM 986 NZ LYS A 62 -7.046 0.975 3.790 1.00 70.55 N ATOM 0 H LYS A 62 -9.149 1.779 -0.188 1.00 64.50 H new ATOM 0 HA LYS A 62 -11.654 1.083 1.011 1.00 71.10 H new ATOM 0 HB2 LYS A 62 -10.147 3.694 0.642 1.00 33.12 H new ATOM 0 HB3 LYS A 62 -11.758 3.669 1.332 1.00 33.12 H new ATOM 0 HG2 LYS A 62 -10.111 3.734 3.131 1.00 1.33 H new ATOM 0 HG3 LYS A 62 -10.956 2.200 3.181 1.00 1.33 H new ATOM 0 HD2 LYS A 62 -9.043 1.108 2.006 1.00 75.11 H new ATOM 0 HD3 LYS A 62 -8.199 2.643 1.955 1.00 75.11 H new ATOM 0 HE2 LYS A 62 -8.091 2.701 4.426 1.00 22.34 H new ATOM 0 HE3 LYS A 62 -9.016 1.216 4.523 1.00 22.34 H new ATOM 0 HZ1 LYS A 62 -6.469 1.105 4.646 1.00 70.55 H new ATOM 0 HZ2 LYS A 62 -7.279 -0.033 3.679 1.00 70.55 H new ATOM 0 HZ3 LYS A 62 -6.511 1.300 2.959 1.00 70.55 H new ATOM 1000 N LEU A 63 -11.635 2.511 -1.942 1.00 43.45 N ATOM 1001 CA LEU A 63 -12.421 2.831 -3.140 1.00 24.31 C ATOM 1002 C LEU A 63 -12.840 1.543 -3.881 1.00 20.14 C ATOM 1003 O LEU A 63 -13.508 1.623 -4.922 1.00 44.53 O ATOM 1004 CB LEU A 63 -11.591 3.771 -4.067 1.00 51.31 C ATOM 1005 CG LEU A 63 -11.086 5.094 -3.405 1.00 32.51 C ATOM 1006 CD1 LEU A 63 -10.312 5.979 -4.411 1.00 55.01 C ATOM 1007 CD2 LEU A 63 -12.257 5.864 -2.748 1.00 14.20 C ATOM 0 H LEU A 63 -10.627 2.551 -2.093 1.00 43.45 H new ATOM 0 HA LEU A 63 -13.334 3.347 -2.844 1.00 24.31 H new ATOM 0 HB2 LEU A 63 -10.728 3.218 -4.437 1.00 51.31 H new ATOM 0 HB3 LEU A 63 -12.200 4.028 -4.934 1.00 51.31 H new ATOM 0 HG LEU A 63 -10.383 4.823 -2.617 1.00 32.51 H new ATOM 0 HD11 LEU A 63 -9.978 6.889 -3.913 1.00 55.01 H new ATOM 0 HD12 LEU A 63 -9.447 5.432 -4.786 1.00 55.01 H new ATOM 0 HD13 LEU A 63 -10.965 6.240 -5.243 1.00 55.01 H new ATOM 0 HD21 LEU A 63 -11.881 6.781 -2.294 1.00 14.20 H new ATOM 0 HD22 LEU A 63 -13.000 6.113 -3.506 1.00 14.20 H new ATOM 0 HD23 LEU A 63 -12.717 5.241 -1.980 1.00 14.20 H new ATOM 1019 N LEU A 64 -12.411 0.363 -3.342 1.00 11.53 N ATOM 1020 CA LEU A 64 -12.669 -0.975 -3.923 1.00 63.12 C ATOM 1021 C LEU A 64 -11.957 -1.150 -5.293 1.00 2.11 C ATOM 1022 O LEU A 64 -12.197 -2.121 -6.009 1.00 61.21 O ATOM 1023 CB LEU A 64 -14.208 -1.302 -3.980 1.00 45.42 C ATOM 1024 CG LEU A 64 -14.914 -1.695 -2.622 1.00 43.32 C ATOM 1025 CD1 LEU A 64 -14.311 -2.980 -2.009 1.00 51.41 C ATOM 1026 CD2 LEU A 64 -14.898 -0.541 -1.588 1.00 44.31 C ATOM 0 H LEU A 64 -11.869 0.323 -2.479 1.00 11.53 H new ATOM 0 HA LEU A 64 -12.230 -1.716 -3.255 1.00 63.12 H new ATOM 0 HB2 LEU A 64 -14.723 -0.433 -4.389 1.00 45.42 H new ATOM 0 HB3 LEU A 64 -14.354 -2.120 -4.685 1.00 45.42 H new ATOM 0 HG LEU A 64 -15.956 -1.895 -2.873 1.00 43.32 H new ATOM 0 HD11 LEU A 64 -14.825 -3.214 -1.077 1.00 51.41 H new ATOM 0 HD12 LEU A 64 -14.432 -3.808 -2.708 1.00 51.41 H new ATOM 0 HD13 LEU A 64 -13.251 -2.825 -1.810 1.00 51.41 H new ATOM 0 HD21 LEU A 64 -15.396 -0.865 -0.674 1.00 44.31 H new ATOM 0 HD22 LEU A 64 -13.867 -0.269 -1.363 1.00 44.31 H new ATOM 0 HD23 LEU A 64 -15.420 0.323 -1.999 1.00 44.31 H new ATOM 1038 N GLU A 65 -11.029 -0.221 -5.590 1.00 55.12 N ATOM 1039 CA GLU A 65 -10.180 -0.202 -6.791 1.00 54.15 C ATOM 1040 C GLU A 65 -8.890 -1.023 -6.557 1.00 5.32 C ATOM 1041 O GLU A 65 -7.773 -0.538 -6.799 1.00 23.43 O ATOM 1042 CB GLU A 65 -9.838 1.282 -7.119 1.00 61.11 C ATOM 1043 CG GLU A 65 -11.040 2.164 -7.504 1.00 21.31 C ATOM 1044 CD GLU A 65 -11.704 1.729 -8.820 1.00 62.01 C ATOM 1045 OE1 GLU A 65 -11.261 2.180 -9.900 1.00 31.40 O ATOM 1046 OE2 GLU A 65 -12.661 0.919 -8.784 1.00 63.21 O ATOM 0 H GLU A 65 -10.844 0.569 -4.972 1.00 55.12 H new ATOM 0 HA GLU A 65 -10.708 -0.655 -7.630 1.00 54.15 H new ATOM 0 HB2 GLU A 65 -9.346 1.724 -6.253 1.00 61.11 H new ATOM 0 HB3 GLU A 65 -9.118 1.300 -7.937 1.00 61.11 H new ATOM 0 HG2 GLU A 65 -11.778 2.133 -6.703 1.00 21.31 H new ATOM 0 HG3 GLU A 65 -10.711 3.199 -7.594 1.00 21.31 H new ATOM 1053 N PHE A 66 -9.059 -2.282 -6.112 1.00 75.43 N ATOM 1054 CA PHE A 66 -7.938 -3.204 -5.827 1.00 34.14 C ATOM 1055 C PHE A 66 -7.041 -3.414 -7.068 1.00 62.00 C ATOM 1056 O PHE A 66 -5.858 -3.653 -6.914 1.00 60.13 O ATOM 1057 CB PHE A 66 -8.454 -4.568 -5.296 1.00 54.21 C ATOM 1058 CG PHE A 66 -8.998 -4.533 -3.862 1.00 20.52 C ATOM 1059 CD1 PHE A 66 -10.264 -4.026 -3.582 1.00 74.24 C ATOM 1060 CD2 PHE A 66 -8.239 -5.018 -2.791 1.00 12.43 C ATOM 1061 CE1 PHE A 66 -10.753 -4.006 -2.285 1.00 11.52 C ATOM 1062 CE2 PHE A 66 -8.733 -5.000 -1.496 1.00 75.41 C ATOM 1063 CZ PHE A 66 -9.990 -4.494 -1.244 1.00 4.12 C ATOM 0 H PHE A 66 -9.977 -2.691 -5.939 1.00 75.43 H new ATOM 0 HA PHE A 66 -7.332 -2.739 -5.050 1.00 34.14 H new ATOM 0 HB2 PHE A 66 -9.240 -4.927 -5.960 1.00 54.21 H new ATOM 0 HB3 PHE A 66 -7.641 -5.292 -5.344 1.00 54.21 H new ATOM 0 HD1 PHE A 66 -10.874 -3.643 -4.387 1.00 74.24 H new ATOM 0 HD2 PHE A 66 -7.251 -5.413 -2.977 1.00 12.43 H new ATOM 0 HE1 PHE A 66 -11.737 -3.606 -2.088 1.00 11.52 H new ATOM 0 HE2 PHE A 66 -8.133 -5.383 -0.684 1.00 75.41 H new ATOM 0 HZ PHE A 66 -10.376 -4.480 -0.236 1.00 4.12 H new ATOM 1073 N GLN A 67 -7.625 -3.287 -8.285 1.00 2.23 N ATOM 1074 CA GLN A 67 -6.867 -3.347 -9.561 1.00 35.22 C ATOM 1075 C GLN A 67 -5.794 -2.245 -9.617 1.00 52.54 C ATOM 1076 O GLN A 67 -4.680 -2.467 -10.108 1.00 10.10 O ATOM 1077 CB GLN A 67 -7.804 -3.178 -10.786 1.00 42.04 C ATOM 1078 CG GLN A 67 -8.949 -4.195 -10.898 1.00 53.23 C ATOM 1079 CD GLN A 67 -8.483 -5.650 -10.890 1.00 40.42 C ATOM 1080 OE1 GLN A 67 -8.424 -6.258 -9.712 1.00 61.51 O flip ATOM 1081 NE2 GLN A 67 -8.185 -6.229 -11.932 1.00 4.33 N flip ATOM 0 H GLN A 67 -8.627 -3.141 -8.410 1.00 2.23 H new ATOM 0 HA GLN A 67 -6.394 -4.328 -9.599 1.00 35.22 H new ATOM 0 HB2 GLN A 67 -8.234 -2.177 -10.755 1.00 42.04 H new ATOM 0 HB3 GLN A 67 -7.201 -3.238 -11.692 1.00 42.04 H new ATOM 0 HG2 GLN A 67 -9.642 -4.041 -10.071 1.00 53.23 H new ATOM 0 HG3 GLN A 67 -9.503 -4.005 -11.818 1.00 53.23 H new ATOM 0 HE21 GLN A 67 -8.240 -5.736 -12.823 1.00 4.33 H new ATOM 0 HE22 GLN A 67 -7.883 -7.203 -11.906 1.00 4.33 H new ATOM 1090 N LEU A 68 -6.161 -1.049 -9.104 1.00 73.33 N ATOM 1091 CA LEU A 68 -5.256 0.102 -9.060 1.00 60.34 C ATOM 1092 C LEU A 68 -4.216 -0.122 -7.949 1.00 45.23 C ATOM 1093 O LEU A 68 -3.047 0.172 -8.136 1.00 10.24 O ATOM 1094 CB LEU A 68 -6.022 1.435 -8.840 1.00 52.21 C ATOM 1095 CG LEU A 68 -7.139 1.806 -9.873 1.00 4.43 C ATOM 1096 CD1 LEU A 68 -7.597 3.269 -9.675 1.00 0.33 C ATOM 1097 CD2 LEU A 68 -6.709 1.537 -11.335 1.00 5.13 C ATOM 0 H LEU A 68 -7.085 -0.864 -8.715 1.00 73.33 H new ATOM 0 HA LEU A 68 -4.753 0.186 -10.024 1.00 60.34 H new ATOM 0 HB2 LEU A 68 -6.477 1.402 -7.850 1.00 52.21 H new ATOM 0 HB3 LEU A 68 -5.292 2.244 -8.829 1.00 52.21 H new ATOM 0 HG LEU A 68 -7.989 1.151 -9.681 1.00 4.43 H new ATOM 0 HD11 LEU A 68 -8.373 3.509 -10.402 1.00 0.33 H new ATOM 0 HD12 LEU A 68 -7.993 3.393 -8.667 1.00 0.33 H new ATOM 0 HD13 LEU A 68 -6.748 3.938 -9.817 1.00 0.33 H new ATOM 0 HD21 LEU A 68 -7.520 1.812 -12.009 1.00 5.13 H new ATOM 0 HD22 LEU A 68 -5.826 2.131 -11.570 1.00 5.13 H new ATOM 0 HD23 LEU A 68 -6.478 0.479 -11.457 1.00 5.13 H new ATOM 1109 N ALA A 69 -4.673 -0.698 -6.817 1.00 13.40 N ATOM 1110 CA ALA A 69 -3.809 -1.043 -5.668 1.00 54.12 C ATOM 1111 C ALA A 69 -2.744 -2.098 -6.052 1.00 14.12 C ATOM 1112 O ALA A 69 -1.643 -2.115 -5.486 1.00 70.21 O ATOM 1113 CB ALA A 69 -4.669 -1.536 -4.488 1.00 3.13 C ATOM 0 H ALA A 69 -5.654 -0.937 -6.674 1.00 13.40 H new ATOM 0 HA ALA A 69 -3.276 -0.142 -5.364 1.00 54.12 H new ATOM 0 HB1 ALA A 69 -4.023 -1.787 -3.647 1.00 3.13 H new ATOM 0 HB2 ALA A 69 -5.363 -0.750 -4.190 1.00 3.13 H new ATOM 0 HB3 ALA A 69 -5.230 -2.420 -4.791 1.00 3.13 H new ATOM 1119 N LEU A 70 -3.094 -2.980 -7.019 1.00 50.35 N ATOM 1120 CA LEU A 70 -2.161 -3.974 -7.582 1.00 21.52 C ATOM 1121 C LEU A 70 -1.078 -3.260 -8.421 1.00 74.33 C ATOM 1122 O LEU A 70 0.093 -3.245 -8.036 1.00 63.44 O ATOM 1123 CB LEU A 70 -2.917 -5.037 -8.448 1.00 65.01 C ATOM 1124 CG LEU A 70 -3.958 -5.949 -7.714 1.00 32.11 C ATOM 1125 CD1 LEU A 70 -4.641 -6.924 -8.693 1.00 23.43 C ATOM 1126 CD2 LEU A 70 -3.329 -6.705 -6.528 1.00 13.42 C ATOM 0 H LEU A 70 -4.028 -3.019 -7.426 1.00 50.35 H new ATOM 0 HA LEU A 70 -1.683 -4.502 -6.757 1.00 21.52 H new ATOM 0 HB2 LEU A 70 -3.435 -4.512 -9.251 1.00 65.01 H new ATOM 0 HB3 LEU A 70 -2.173 -5.682 -8.916 1.00 65.01 H new ATOM 0 HG LEU A 70 -4.725 -5.290 -7.307 1.00 32.11 H new ATOM 0 HD11 LEU A 70 -5.357 -7.542 -8.151 1.00 23.43 H new ATOM 0 HD12 LEU A 70 -5.162 -6.358 -9.466 1.00 23.43 H new ATOM 0 HD13 LEU A 70 -3.888 -7.562 -9.155 1.00 23.43 H new ATOM 0 HD21 LEU A 70 -4.087 -7.325 -6.049 1.00 13.42 H new ATOM 0 HD22 LEU A 70 -2.518 -7.337 -6.889 1.00 13.42 H new ATOM 0 HD23 LEU A 70 -2.937 -5.988 -5.806 1.00 13.42 H new ATOM 1138 N LYS A 71 -1.505 -2.616 -9.538 1.00 1.34 N ATOM 1139 CA LYS A 71 -0.581 -1.971 -10.516 1.00 40.31 C ATOM 1140 C LYS A 71 0.329 -0.915 -9.847 1.00 14.03 C ATOM 1141 O LYS A 71 1.486 -0.742 -10.241 1.00 14.43 O ATOM 1142 CB LYS A 71 -1.368 -1.325 -11.695 1.00 4.02 C ATOM 1143 CG LYS A 71 -2.295 -0.152 -11.302 1.00 54.41 C ATOM 1144 CD LYS A 71 -3.062 0.508 -12.482 1.00 42.10 C ATOM 1145 CE LYS A 71 -4.063 -0.420 -13.205 1.00 22.02 C ATOM 1146 NZ LYS A 71 -3.415 -1.371 -14.148 1.00 10.31 N ATOM 0 H LYS A 71 -2.490 -2.528 -9.787 1.00 1.34 H new ATOM 0 HA LYS A 71 0.057 -2.762 -10.910 1.00 40.31 H new ATOM 0 HB2 LYS A 71 -0.653 -0.969 -12.437 1.00 4.02 H new ATOM 0 HB3 LYS A 71 -1.969 -2.097 -12.176 1.00 4.02 H new ATOM 0 HG2 LYS A 71 -3.021 -0.512 -10.573 1.00 54.41 H new ATOM 0 HG3 LYS A 71 -1.697 0.612 -10.805 1.00 54.41 H new ATOM 0 HD2 LYS A 71 -3.601 1.377 -12.105 1.00 42.10 H new ATOM 0 HD3 LYS A 71 -2.337 0.873 -13.209 1.00 42.10 H new ATOM 0 HE2 LYS A 71 -4.625 -0.984 -12.461 1.00 22.02 H new ATOM 0 HE3 LYS A 71 -4.781 0.190 -13.753 1.00 22.02 H new ATOM 0 HZ1 LYS A 71 -3.926 -1.365 -15.054 1.00 10.31 H new ATOM 0 HZ2 LYS A 71 -2.428 -1.085 -14.306 1.00 10.31 H new ATOM 0 HZ3 LYS A 71 -3.437 -2.329 -13.745 1.00 10.31 H new ATOM 1160 N ASP A 72 -0.216 -0.255 -8.815 1.00 71.14 N ATOM 1161 CA ASP A 72 0.483 0.769 -8.031 1.00 44.22 C ATOM 1162 C ASP A 72 1.694 0.179 -7.285 1.00 44.35 C ATOM 1163 O ASP A 72 2.782 0.760 -7.298 1.00 70.33 O ATOM 1164 CB ASP A 72 -0.510 1.411 -7.036 1.00 32.32 C ATOM 1165 CG ASP A 72 0.146 2.449 -6.138 1.00 32.23 C ATOM 1166 OD1 ASP A 72 0.319 3.594 -6.588 1.00 33.01 O ATOM 1167 OD2 ASP A 72 0.500 2.116 -4.994 1.00 61.30 O ATOM 0 H ASP A 72 -1.171 -0.422 -8.498 1.00 71.14 H new ATOM 0 HA ASP A 72 0.864 1.531 -8.711 1.00 44.22 H new ATOM 0 HB2 ASP A 72 -1.323 1.879 -7.591 1.00 32.32 H new ATOM 0 HB3 ASP A 72 -0.954 0.631 -6.418 1.00 32.32 H new ATOM 1172 N CYS A 73 1.496 -0.974 -6.626 1.00 63.04 N ATOM 1173 CA CYS A 73 2.586 -1.670 -5.923 1.00 72.02 C ATOM 1174 C CYS A 73 3.533 -2.366 -6.931 1.00 21.34 C ATOM 1175 O CYS A 73 4.714 -2.567 -6.628 1.00 3.21 O ATOM 1176 CB CYS A 73 2.030 -2.647 -4.866 1.00 65.31 C ATOM 1177 SG CYS A 73 1.007 -3.970 -5.519 1.00 62.33 S ATOM 0 H CYS A 73 0.593 -1.443 -6.565 1.00 63.04 H new ATOM 0 HA CYS A 73 3.179 -0.930 -5.385 1.00 72.02 H new ATOM 0 HB2 CYS A 73 2.867 -3.089 -4.325 1.00 65.31 H new ATOM 0 HB3 CYS A 73 1.446 -2.080 -4.141 1.00 65.31 H new ATOM 0 HG CYS A 73 0.711 -3.718 -6.760 1.00 62.33 H new ATOM 1183 N GLU A 74 3.013 -2.715 -8.136 1.00 55.02 N ATOM 1184 CA GLU A 74 3.830 -3.329 -9.218 1.00 72.31 C ATOM 1185 C GLU A 74 4.833 -2.328 -9.832 1.00 43.13 C ATOM 1186 O GLU A 74 5.861 -2.737 -10.387 1.00 52.43 O ATOM 1187 CB GLU A 74 2.941 -3.925 -10.343 1.00 54.50 C ATOM 1188 CG GLU A 74 1.919 -4.983 -9.881 1.00 35.45 C ATOM 1189 CD GLU A 74 2.498 -6.067 -8.951 1.00 62.04 C ATOM 1190 OE1 GLU A 74 3.137 -7.015 -9.456 1.00 4.14 O ATOM 1191 OE2 GLU A 74 2.298 -5.985 -7.713 1.00 3.03 O ATOM 0 H GLU A 74 2.032 -2.582 -8.384 1.00 55.02 H new ATOM 0 HA GLU A 74 4.392 -4.135 -8.747 1.00 72.31 H new ATOM 0 HB2 GLU A 74 2.403 -3.111 -10.828 1.00 54.50 H new ATOM 0 HB3 GLU A 74 3.588 -4.373 -11.097 1.00 54.50 H new ATOM 0 HG2 GLU A 74 1.101 -4.479 -9.366 1.00 35.45 H new ATOM 0 HG3 GLU A 74 1.493 -5.466 -10.760 1.00 35.45 H new ATOM 1198 N GLU A 75 4.504 -1.026 -9.798 1.00 0.14 N ATOM 1199 CA GLU A 75 5.442 0.035 -10.210 1.00 22.31 C ATOM 1200 C GLU A 75 6.303 0.497 -9.007 1.00 63.20 C ATOM 1201 O GLU A 75 7.498 0.790 -9.163 1.00 41.41 O ATOM 1202 CB GLU A 75 4.682 1.206 -10.894 1.00 34.30 C ATOM 1203 CG GLU A 75 3.631 1.925 -10.026 1.00 33.24 C ATOM 1204 CD GLU A 75 2.827 2.990 -10.792 1.00 64.13 C ATOM 1205 OE1 GLU A 75 1.773 2.647 -11.378 1.00 73.11 O ATOM 1206 OE2 GLU A 75 3.257 4.167 -10.834 1.00 52.31 O ATOM 0 H GLU A 75 3.595 -0.681 -9.489 1.00 0.14 H new ATOM 0 HA GLU A 75 6.130 -0.366 -10.954 1.00 22.31 H new ATOM 0 HB2 GLU A 75 5.413 1.942 -11.229 1.00 34.30 H new ATOM 0 HB3 GLU A 75 4.187 0.821 -11.785 1.00 34.30 H new ATOM 0 HG2 GLU A 75 2.942 1.186 -9.617 1.00 33.24 H new ATOM 0 HG3 GLU A 75 4.131 2.397 -9.180 1.00 33.24 H new ATOM 1213 N CYS A 76 5.694 0.504 -7.799 1.00 75.11 N ATOM 1214 CA CYS A 76 6.375 0.898 -6.538 1.00 22.23 C ATOM 1215 C CYS A 76 7.569 -0.025 -6.215 1.00 14.41 C ATOM 1216 O CYS A 76 8.585 0.434 -5.687 1.00 70.34 O ATOM 1217 CB CYS A 76 5.378 0.901 -5.360 1.00 10.54 C ATOM 1218 SG CYS A 76 6.083 1.412 -3.778 1.00 31.05 S ATOM 0 H CYS A 76 4.718 0.238 -7.668 1.00 75.11 H new ATOM 0 HA CYS A 76 6.762 1.907 -6.683 1.00 22.23 H new ATOM 0 HB2 CYS A 76 4.549 1.565 -5.605 1.00 10.54 H new ATOM 0 HB3 CYS A 76 4.962 -0.101 -5.251 1.00 10.54 H new ATOM 0 HG CYS A 76 5.988 0.436 -2.925 1.00 31.05 H new ATOM 1224 N ILE A 77 7.439 -1.320 -6.579 1.00 14.43 N ATOM 1225 CA ILE A 77 8.499 -2.333 -6.378 1.00 21.24 C ATOM 1226 C ILE A 77 9.718 -2.036 -7.284 1.00 31.30 C ATOM 1227 O ILE A 77 10.851 -2.395 -6.947 1.00 43.53 O ATOM 1228 CB ILE A 77 7.935 -3.804 -6.604 1.00 72.51 C ATOM 1229 CG1 ILE A 77 8.863 -4.935 -6.000 1.00 53.13 C ATOM 1230 CG2 ILE A 77 7.624 -4.078 -8.091 1.00 70.54 C ATOM 1231 CD1 ILE A 77 10.029 -5.426 -6.863 1.00 52.14 C ATOM 0 H ILE A 77 6.598 -1.692 -7.020 1.00 14.43 H new ATOM 0 HA ILE A 77 8.838 -2.276 -5.344 1.00 21.24 H new ATOM 0 HB ILE A 77 6.999 -3.845 -6.047 1.00 72.51 H new ATOM 0 HG12 ILE A 77 9.272 -4.568 -5.059 1.00 53.13 H new ATOM 0 HG13 ILE A 77 8.236 -5.794 -5.762 1.00 53.13 H new ATOM 0 HG21 ILE A 77 7.241 -5.093 -8.202 1.00 70.54 H new ATOM 0 HG22 ILE A 77 6.876 -3.368 -8.443 1.00 70.54 H new ATOM 0 HG23 ILE A 77 8.535 -3.967 -8.680 1.00 70.54 H new ATOM 0 HD11 ILE A 77 10.579 -6.199 -6.326 1.00 52.14 H new ATOM 0 HD12 ILE A 77 9.643 -5.837 -7.796 1.00 52.14 H new ATOM 0 HD13 ILE A 77 10.696 -4.592 -7.082 1.00 52.14 H new ATOM 1243 N GLN A 78 9.484 -1.335 -8.419 1.00 22.15 N ATOM 1244 CA GLN A 78 10.566 -1.003 -9.369 1.00 5.23 C ATOM 1245 C GLN A 78 11.470 0.082 -8.759 1.00 54.52 C ATOM 1246 O GLN A 78 12.695 0.057 -8.907 1.00 65.53 O ATOM 1247 CB GLN A 78 9.986 -0.531 -10.734 1.00 21.05 C ATOM 1248 CG GLN A 78 8.937 -1.481 -11.357 1.00 33.22 C ATOM 1249 CD GLN A 78 9.432 -2.913 -11.585 1.00 23.44 C ATOM 1250 OE1 GLN A 78 10.615 -3.156 -11.837 1.00 22.32 O ATOM 1251 NE2 GLN A 78 8.524 -3.876 -11.507 1.00 71.32 N ATOM 0 H GLN A 78 8.564 -0.992 -8.695 1.00 22.15 H new ATOM 0 HA GLN A 78 11.158 -1.899 -9.555 1.00 5.23 H new ATOM 0 HB2 GLN A 78 9.532 0.451 -10.600 1.00 21.05 H new ATOM 0 HB3 GLN A 78 10.808 -0.408 -11.439 1.00 21.05 H new ATOM 0 HG2 GLN A 78 8.062 -1.512 -10.708 1.00 33.22 H new ATOM 0 HG3 GLN A 78 8.611 -1.066 -12.311 1.00 33.22 H new ATOM 0 HE21 GLN A 78 7.553 -3.645 -11.297 1.00 71.32 H new ATOM 0 HE22 GLN A 78 8.797 -4.847 -11.657 1.00 71.32 H new ATOM 1260 N LEU A 79 10.828 1.023 -8.047 1.00 55.34 N ATOM 1261 CA LEU A 79 11.506 2.133 -7.356 1.00 72.32 C ATOM 1262 C LEU A 79 12.104 1.659 -6.025 1.00 21.42 C ATOM 1263 O LEU A 79 13.169 2.113 -5.615 1.00 73.02 O ATOM 1264 CB LEU A 79 10.491 3.266 -7.074 1.00 2.02 C ATOM 1265 CG LEU A 79 9.693 3.793 -8.297 1.00 4.01 C ATOM 1266 CD1 LEU A 79 8.661 4.838 -7.850 1.00 60.10 C ATOM 1267 CD2 LEU A 79 10.634 4.353 -9.389 1.00 1.41 C ATOM 0 H LEU A 79 9.814 1.035 -7.934 1.00 55.34 H new ATOM 0 HA LEU A 79 12.308 2.498 -7.997 1.00 72.32 H new ATOM 0 HB2 LEU A 79 9.780 2.911 -6.328 1.00 2.02 H new ATOM 0 HB3 LEU A 79 11.028 4.104 -6.629 1.00 2.02 H new ATOM 0 HG LEU A 79 9.156 2.955 -8.741 1.00 4.01 H new ATOM 0 HD11 LEU A 79 8.109 5.199 -8.718 1.00 60.10 H new ATOM 0 HD12 LEU A 79 7.968 4.385 -7.142 1.00 60.10 H new ATOM 0 HD13 LEU A 79 9.173 5.674 -7.373 1.00 60.10 H new ATOM 0 HD21 LEU A 79 10.042 4.713 -10.230 1.00 1.41 H new ATOM 0 HD22 LEU A 79 11.219 5.176 -8.978 1.00 1.41 H new ATOM 0 HD23 LEU A 79 11.306 3.565 -9.729 1.00 1.41 H new ATOM 1279 N GLU A 80 11.381 0.751 -5.363 1.00 54.15 N ATOM 1280 CA GLU A 80 11.670 0.311 -3.996 1.00 52.24 C ATOM 1281 C GLU A 80 11.274 -1.170 -3.862 1.00 23.05 C ATOM 1282 O GLU A 80 10.105 -1.473 -3.637 1.00 11.04 O ATOM 1283 CB GLU A 80 10.859 1.189 -3.007 1.00 73.30 C ATOM 1284 CG GLU A 80 11.099 0.951 -1.504 1.00 75.32 C ATOM 1285 CD GLU A 80 12.468 1.435 -1.031 1.00 64.42 C ATOM 1286 OE1 GLU A 80 12.655 2.667 -0.892 1.00 72.35 O ATOM 1287 OE2 GLU A 80 13.364 0.604 -0.808 1.00 55.25 O ATOM 0 H GLU A 80 10.565 0.294 -5.769 1.00 54.15 H new ATOM 0 HA GLU A 80 12.731 0.415 -3.770 1.00 52.24 H new ATOM 0 HB2 GLU A 80 11.078 2.235 -3.224 1.00 73.30 H new ATOM 0 HB3 GLU A 80 9.799 1.037 -3.209 1.00 73.30 H new ATOM 0 HG2 GLU A 80 10.323 1.461 -0.933 1.00 75.32 H new ATOM 0 HG3 GLU A 80 11.003 -0.114 -1.291 1.00 75.32 H new ATOM 1294 N PRO A 81 12.231 -2.128 -4.052 1.00 62.30 N ATOM 1295 CA PRO A 81 11.938 -3.584 -3.936 1.00 75.43 C ATOM 1296 C PRO A 81 11.668 -4.026 -2.480 1.00 4.00 C ATOM 1297 O PRO A 81 11.128 -5.108 -2.245 1.00 22.23 O ATOM 1298 CB PRO A 81 13.219 -4.241 -4.512 1.00 5.10 C ATOM 1299 CG PRO A 81 14.309 -3.240 -4.248 1.00 62.30 C ATOM 1300 CD PRO A 81 13.661 -1.878 -4.407 1.00 24.22 C ATOM 0 HA PRO A 81 11.029 -3.871 -4.464 1.00 75.43 H new ATOM 0 HB2 PRO A 81 13.429 -5.194 -4.026 1.00 5.10 H new ATOM 0 HB3 PRO A 81 13.116 -4.443 -5.578 1.00 5.10 H new ATOM 0 HG2 PRO A 81 14.720 -3.364 -3.246 1.00 62.30 H new ATOM 0 HG3 PRO A 81 15.134 -3.365 -4.949 1.00 62.30 H new ATOM 0 HD2 PRO A 81 14.115 -1.138 -3.747 1.00 24.22 H new ATOM 0 HD3 PRO A 81 13.762 -1.502 -5.425 1.00 24.22 H new ATOM 1308 N THR A 82 12.043 -3.166 -1.517 1.00 43.21 N ATOM 1309 CA THR A 82 11.938 -3.442 -0.077 1.00 35.50 C ATOM 1310 C THR A 82 10.821 -2.614 0.603 1.00 12.25 C ATOM 1311 O THR A 82 10.857 -2.429 1.821 1.00 31.04 O ATOM 1312 CB THR A 82 13.330 -3.213 0.620 1.00 51.24 C ATOM 1313 OG1 THR A 82 13.896 -1.963 0.216 1.00 52.31 O ATOM 1314 CG2 THR A 82 14.333 -4.348 0.312 1.00 53.51 C ATOM 0 H THR A 82 12.433 -2.246 -1.722 1.00 43.21 H new ATOM 0 HA THR A 82 11.656 -4.488 0.040 1.00 35.50 H new ATOM 0 HB THR A 82 13.144 -3.206 1.694 1.00 51.24 H new ATOM 0 HG1 THR A 82 13.183 -1.365 -0.092 1.00 52.31 H new ATOM 0 HG21 THR A 82 15.278 -4.145 0.815 1.00 53.51 H new ATOM 0 HG22 THR A 82 13.930 -5.296 0.667 1.00 53.51 H new ATOM 0 HG23 THR A 82 14.499 -4.405 -0.764 1.00 53.51 H new ATOM 1322 N PHE A 83 9.836 -2.102 -0.176 1.00 65.13 N ATOM 1323 CA PHE A 83 8.677 -1.372 0.401 1.00 21.52 C ATOM 1324 C PHE A 83 7.840 -2.327 1.305 1.00 33.42 C ATOM 1325 O PHE A 83 7.326 -3.353 0.849 1.00 73.54 O ATOM 1326 CB PHE A 83 7.815 -0.700 -0.711 1.00 25.01 C ATOM 1327 CG PHE A 83 6.981 -1.643 -1.595 1.00 2.25 C ATOM 1328 CD1 PHE A 83 7.580 -2.607 -2.406 1.00 61.30 C ATOM 1329 CD2 PHE A 83 5.591 -1.556 -1.613 1.00 13.42 C ATOM 1330 CE1 PHE A 83 6.821 -3.437 -3.207 1.00 51.13 C ATOM 1331 CE2 PHE A 83 4.833 -2.393 -2.415 1.00 1.12 C ATOM 1332 CZ PHE A 83 5.449 -3.334 -3.209 1.00 42.00 C ATOM 0 H PHE A 83 9.819 -2.179 -1.193 1.00 65.13 H new ATOM 0 HA PHE A 83 9.050 -0.562 1.028 1.00 21.52 H new ATOM 0 HB2 PHE A 83 7.138 0.010 -0.236 1.00 25.01 H new ATOM 0 HB3 PHE A 83 8.479 -0.125 -1.357 1.00 25.01 H new ATOM 0 HD1 PHE A 83 8.655 -2.706 -2.407 1.00 61.30 H new ATOM 0 HD2 PHE A 83 5.096 -0.824 -0.992 1.00 13.42 H new ATOM 0 HE1 PHE A 83 7.306 -4.170 -3.834 1.00 51.13 H new ATOM 0 HE2 PHE A 83 3.756 -2.307 -2.418 1.00 1.12 H new ATOM 0 HZ PHE A 83 4.857 -3.989 -3.831 1.00 42.00 H new ATOM 1342 N ILE A 84 7.754 -1.984 2.604 1.00 53.34 N ATOM 1343 CA ILE A 84 7.226 -2.885 3.655 1.00 1.31 C ATOM 1344 C ILE A 84 5.699 -2.749 3.807 1.00 13.23 C ATOM 1345 O ILE A 84 4.976 -3.747 3.845 1.00 55.42 O ATOM 1346 CB ILE A 84 7.907 -2.597 5.047 1.00 22.10 C ATOM 1347 CG1 ILE A 84 9.461 -2.645 4.927 1.00 75.23 C ATOM 1348 CG2 ILE A 84 7.411 -3.597 6.120 1.00 61.41 C ATOM 1349 CD1 ILE A 84 10.210 -2.352 6.217 1.00 32.24 C ATOM 0 H ILE A 84 8.048 -1.074 2.958 1.00 53.34 H new ATOM 0 HA ILE A 84 7.461 -3.902 3.340 1.00 1.31 H new ATOM 0 HB ILE A 84 7.622 -1.592 5.359 1.00 22.10 H new ATOM 0 HG12 ILE A 84 9.753 -3.633 4.570 1.00 75.23 H new ATOM 0 HG13 ILE A 84 9.775 -1.927 4.170 1.00 75.23 H new ATOM 0 HG21 ILE A 84 7.895 -3.379 7.072 1.00 61.41 H new ATOM 0 HG22 ILE A 84 6.331 -3.504 6.232 1.00 61.41 H new ATOM 0 HG23 ILE A 84 7.658 -4.613 5.812 1.00 61.41 H new ATOM 0 HD11 ILE A 84 11.283 -2.408 6.035 1.00 32.24 H new ATOM 0 HD12 ILE A 84 9.953 -1.352 6.568 1.00 32.24 H new ATOM 0 HD13 ILE A 84 9.931 -3.085 6.974 1.00 32.24 H new ATOM 1361 N LYS A 85 5.218 -1.493 3.906 1.00 1.24 N ATOM 1362 CA LYS A 85 3.796 -1.203 4.189 1.00 60.13 C ATOM 1363 C LYS A 85 2.914 -1.605 3.006 1.00 31.11 C ATOM 1364 O LYS A 85 1.804 -2.111 3.195 1.00 53.03 O ATOM 1365 CB LYS A 85 3.581 0.292 4.561 1.00 44.51 C ATOM 1366 CG LYS A 85 4.351 0.757 5.824 1.00 33.22 C ATOM 1367 CD LYS A 85 4.238 -0.247 7.001 1.00 35.23 C ATOM 1368 CE LYS A 85 4.749 0.324 8.331 1.00 23.31 C ATOM 1369 NZ LYS A 85 3.849 1.385 8.859 1.00 15.41 N ATOM 0 H LYS A 85 5.796 -0.660 3.794 1.00 1.24 H new ATOM 0 HA LYS A 85 3.502 -1.800 5.052 1.00 60.13 H new ATOM 0 HB2 LYS A 85 3.885 0.911 3.717 1.00 44.51 H new ATOM 0 HB3 LYS A 85 2.516 0.465 4.716 1.00 44.51 H new ATOM 0 HG2 LYS A 85 5.402 0.897 5.572 1.00 33.22 H new ATOM 0 HG3 LYS A 85 3.967 1.727 6.141 1.00 33.22 H new ATOM 0 HD2 LYS A 85 3.196 -0.546 7.117 1.00 35.23 H new ATOM 0 HD3 LYS A 85 4.803 -1.147 6.758 1.00 35.23 H new ATOM 0 HE2 LYS A 85 4.833 -0.479 9.063 1.00 23.31 H new ATOM 0 HE3 LYS A 85 5.750 0.733 8.191 1.00 23.31 H new ATOM 0 HZ1 LYS A 85 4.140 1.638 9.825 1.00 15.41 H new ATOM 0 HZ2 LYS A 85 3.907 2.225 8.248 1.00 15.41 H new ATOM 0 HZ3 LYS A 85 2.870 1.034 8.873 1.00 15.41 H new ATOM 1383 N GLY A 86 3.453 -1.426 1.790 1.00 42.00 N ATOM 1384 CA GLY A 86 2.773 -1.837 0.566 1.00 3.02 C ATOM 1385 C GLY A 86 2.575 -3.354 0.473 1.00 52.30 C ATOM 1386 O GLY A 86 1.700 -3.805 -0.258 1.00 71.22 O ATOM 0 H GLY A 86 4.365 -0.996 1.635 1.00 42.00 H new ATOM 0 HA2 GLY A 86 1.802 -1.345 0.514 1.00 3.02 H new ATOM 0 HA3 GLY A 86 3.349 -1.498 -0.295 1.00 3.02 H new ATOM 1390 N TYR A 87 3.395 -4.131 1.223 1.00 55.14 N ATOM 1391 CA TYR A 87 3.251 -5.602 1.326 1.00 43.30 C ATOM 1392 C TYR A 87 2.002 -5.999 2.125 1.00 63.04 C ATOM 1393 O TYR A 87 1.389 -7.025 1.834 1.00 50.43 O ATOM 1394 CB TYR A 87 4.508 -6.259 1.960 1.00 42.10 C ATOM 1395 CG TYR A 87 5.734 -6.394 1.043 1.00 62.24 C ATOM 1396 CD1 TYR A 87 5.705 -6.043 -0.315 1.00 14.35 C ATOM 1397 CD2 TYR A 87 6.929 -6.906 1.546 1.00 14.24 C ATOM 1398 CE1 TYR A 87 6.821 -6.196 -1.114 1.00 21.33 C ATOM 1399 CE2 TYR A 87 8.036 -7.060 0.747 1.00 71.23 C ATOM 1400 CZ TYR A 87 7.980 -6.703 -0.579 1.00 64.33 C ATOM 1401 OH TYR A 87 9.094 -6.855 -1.372 1.00 5.00 O ATOM 0 H TYR A 87 4.170 -3.757 1.770 1.00 55.14 H new ATOM 0 HA TYR A 87 3.141 -5.971 0.306 1.00 43.30 H new ATOM 0 HB2 TYR A 87 4.796 -5.676 2.835 1.00 42.10 H new ATOM 0 HB3 TYR A 87 4.234 -7.252 2.315 1.00 42.10 H new ATOM 0 HD1 TYR A 87 4.796 -5.647 -0.742 1.00 14.35 H new ATOM 0 HD2 TYR A 87 6.986 -7.188 2.587 1.00 14.24 H new ATOM 0 HE1 TYR A 87 6.783 -5.918 -2.157 1.00 21.33 H new ATOM 0 HE2 TYR A 87 8.949 -7.461 1.161 1.00 71.23 H new ATOM 0 HH TYR A 87 9.571 -6.001 -1.432 1.00 5.00 H new ATOM 1411 N THR A 88 1.647 -5.205 3.144 1.00 51.23 N ATOM 1412 CA THR A 88 0.422 -5.441 3.929 1.00 3.40 C ATOM 1413 C THR A 88 -0.829 -5.300 3.029 1.00 64.22 C ATOM 1414 O THR A 88 -1.749 -6.114 3.098 1.00 33.15 O ATOM 1415 CB THR A 88 0.335 -4.468 5.144 1.00 52.51 C ATOM 1416 OG1 THR A 88 1.552 -4.569 5.903 1.00 2.42 O ATOM 1417 CG2 THR A 88 -0.876 -4.769 6.059 1.00 63.41 C ATOM 0 H THR A 88 2.188 -4.394 3.446 1.00 51.23 H new ATOM 0 HA THR A 88 0.460 -6.458 4.318 1.00 3.40 H new ATOM 0 HB THR A 88 0.199 -3.458 4.758 1.00 52.51 H new ATOM 0 HG1 THR A 88 1.662 -3.766 6.454 1.00 2.42 H new ATOM 0 HG21 THR A 88 -0.889 -4.063 6.889 1.00 63.41 H new ATOM 0 HG22 THR A 88 -1.798 -4.673 5.486 1.00 63.41 H new ATOM 0 HG23 THR A 88 -0.795 -5.784 6.448 1.00 63.41 H new ATOM 1425 N ARG A 89 -0.804 -4.277 2.145 1.00 45.12 N ATOM 1426 CA ARG A 89 -1.912 -3.980 1.203 1.00 64.21 C ATOM 1427 C ARG A 89 -1.860 -4.909 -0.029 1.00 11.22 C ATOM 1428 O ARG A 89 -2.883 -5.139 -0.671 1.00 11.33 O ATOM 1429 CB ARG A 89 -1.901 -2.481 0.761 1.00 1.53 C ATOM 1430 CG ARG A 89 -2.236 -1.456 1.885 1.00 62.13 C ATOM 1431 CD ARG A 89 -1.110 -1.271 2.920 1.00 3.43 C ATOM 1432 NE ARG A 89 -1.478 -0.405 4.050 1.00 51.31 N ATOM 1433 CZ ARG A 89 -0.820 -0.348 5.224 1.00 74.23 C ATOM 1434 NH1 ARG A 89 0.256 -1.105 5.455 1.00 22.23 N ATOM 1435 NH2 ARG A 89 -1.257 0.450 6.175 1.00 24.42 N ATOM 0 H ARG A 89 -0.017 -3.633 2.063 1.00 45.12 H new ATOM 0 HA ARG A 89 -2.846 -4.167 1.733 1.00 64.21 H new ATOM 0 HB2 ARG A 89 -0.916 -2.245 0.358 1.00 1.53 H new ATOM 0 HB3 ARG A 89 -2.617 -2.353 -0.051 1.00 1.53 H new ATOM 0 HG2 ARG A 89 -2.458 -0.491 1.429 1.00 62.13 H new ATOM 0 HG3 ARG A 89 -3.140 -1.780 2.401 1.00 62.13 H new ATOM 0 HD2 ARG A 89 -0.818 -2.249 3.304 1.00 3.43 H new ATOM 0 HD3 ARG A 89 -0.237 -0.850 2.421 1.00 3.43 H new ATOM 0 HE ARG A 89 -2.293 0.198 3.936 1.00 51.31 H new ATOM 0 HH11 ARG A 89 0.595 -1.743 4.735 1.00 22.23 H new ATOM 0 HH12 ARG A 89 0.739 -1.045 6.352 1.00 22.23 H new ATOM 0 HH21 ARG A 89 -2.089 1.020 6.020 1.00 24.42 H new ATOM 0 HH22 ARG A 89 -0.764 0.498 7.067 1.00 24.42 H new ATOM 1449 N LYS A 90 -0.650 -5.414 -0.354 1.00 2.04 N ATOM 1450 CA LYS A 90 -0.433 -6.435 -1.392 1.00 42.10 C ATOM 1451 C LYS A 90 -1.109 -7.743 -0.968 1.00 64.34 C ATOM 1452 O LYS A 90 -1.902 -8.307 -1.711 1.00 53.33 O ATOM 1453 CB LYS A 90 1.094 -6.652 -1.591 1.00 34.32 C ATOM 1454 CG LYS A 90 1.530 -7.640 -2.710 1.00 2.15 C ATOM 1455 CD LYS A 90 1.410 -7.059 -4.146 1.00 30.34 C ATOM 1456 CE LYS A 90 0.029 -7.256 -4.797 1.00 74.44 C ATOM 1457 NZ LYS A 90 -0.010 -6.684 -6.171 1.00 31.32 N ATOM 0 H LYS A 90 0.211 -5.118 0.105 1.00 2.04 H new ATOM 0 HA LYS A 90 -0.867 -6.104 -2.335 1.00 42.10 H new ATOM 0 HB2 LYS A 90 1.549 -5.684 -1.799 1.00 34.32 H new ATOM 0 HB3 LYS A 90 1.511 -7.004 -0.648 1.00 34.32 H new ATOM 0 HG2 LYS A 90 2.564 -7.938 -2.535 1.00 2.15 H new ATOM 0 HG3 LYS A 90 0.922 -8.542 -2.642 1.00 2.15 H new ATOM 0 HD2 LYS A 90 1.634 -5.993 -4.114 1.00 30.34 H new ATOM 0 HD3 LYS A 90 2.166 -7.525 -4.778 1.00 30.34 H new ATOM 0 HE2 LYS A 90 -0.208 -8.319 -4.837 1.00 74.44 H new ATOM 0 HE3 LYS A 90 -0.736 -6.782 -4.182 1.00 74.44 H new ATOM 0 HZ1 LYS A 90 -0.999 -6.537 -6.458 1.00 31.32 H new ATOM 0 HZ2 LYS A 90 0.492 -5.774 -6.182 1.00 31.32 H new ATOM 0 HZ3 LYS A 90 0.449 -7.341 -6.834 1.00 31.32 H new ATOM 1471 N ALA A 91 -0.805 -8.174 0.268 1.00 1.14 N ATOM 1472 CA ALA A 91 -1.357 -9.398 0.868 1.00 32.21 C ATOM 1473 C ALA A 91 -2.875 -9.263 1.106 1.00 72.14 C ATOM 1474 O ALA A 91 -3.616 -10.233 0.960 1.00 62.55 O ATOM 1475 CB ALA A 91 -0.615 -9.717 2.179 1.00 64.53 C ATOM 0 H ALA A 91 -0.162 -7.676 0.884 1.00 1.14 H new ATOM 0 HA ALA A 91 -1.210 -10.225 0.174 1.00 32.21 H new ATOM 0 HB1 ALA A 91 -1.028 -10.625 2.619 1.00 64.53 H new ATOM 0 HB2 ALA A 91 0.445 -9.864 1.971 1.00 64.53 H new ATOM 0 HB3 ALA A 91 -0.736 -8.888 2.876 1.00 64.53 H new ATOM 1481 N ALA A 92 -3.313 -8.034 1.454 1.00 73.22 N ATOM 1482 CA ALA A 92 -4.736 -7.699 1.664 1.00 22.21 C ATOM 1483 C ALA A 92 -5.523 -7.742 0.340 1.00 65.52 C ATOM 1484 O ALA A 92 -6.697 -8.137 0.312 1.00 44.35 O ATOM 1485 CB ALA A 92 -4.858 -6.313 2.311 1.00 12.52 C ATOM 0 H ALA A 92 -2.685 -7.243 1.598 1.00 73.22 H new ATOM 0 HA ALA A 92 -5.166 -8.446 2.332 1.00 22.21 H new ATOM 0 HB1 ALA A 92 -5.911 -6.074 2.462 1.00 12.52 H new ATOM 0 HB2 ALA A 92 -4.344 -6.314 3.272 1.00 12.52 H new ATOM 0 HB3 ALA A 92 -4.406 -5.566 1.659 1.00 12.52 H new ATOM 1491 N ALA A 93 -4.865 -7.312 -0.750 1.00 70.23 N ATOM 1492 CA ALA A 93 -5.446 -7.342 -2.096 1.00 65.51 C ATOM 1493 C ALA A 93 -5.572 -8.790 -2.586 1.00 62.51 C ATOM 1494 O ALA A 93 -6.652 -9.219 -3.000 1.00 74.34 O ATOM 1495 CB ALA A 93 -4.610 -6.497 -3.065 1.00 44.04 C ATOM 0 H ALA A 93 -3.918 -6.935 -0.719 1.00 70.23 H new ATOM 0 HA ALA A 93 -6.445 -6.909 -2.057 1.00 65.51 H new ATOM 0 HB1 ALA A 93 -5.058 -6.532 -4.058 1.00 44.04 H new ATOM 0 HB2 ALA A 93 -4.582 -5.465 -2.716 1.00 44.04 H new ATOM 0 HB3 ALA A 93 -3.595 -6.893 -3.110 1.00 44.04 H new ATOM 1501 N LEU A 94 -4.460 -9.548 -2.467 1.00 65.20 N ATOM 1502 CA LEU A 94 -4.393 -10.975 -2.846 1.00 43.13 C ATOM 1503 C LEU A 94 -5.439 -11.803 -2.073 1.00 73.31 C ATOM 1504 O LEU A 94 -6.089 -12.664 -2.648 1.00 72.15 O ATOM 1505 CB LEU A 94 -2.962 -11.532 -2.606 1.00 44.04 C ATOM 1506 CG LEU A 94 -1.851 -10.921 -3.521 1.00 40.13 C ATOM 1507 CD1 LEU A 94 -0.444 -11.384 -3.101 1.00 3.13 C ATOM 1508 CD2 LEU A 94 -2.124 -11.230 -5.012 1.00 15.41 C ATOM 0 H LEU A 94 -3.579 -9.184 -2.103 1.00 65.20 H new ATOM 0 HA LEU A 94 -4.622 -11.057 -3.908 1.00 43.13 H new ATOM 0 HB2 LEU A 94 -2.691 -11.357 -1.565 1.00 44.04 H new ATOM 0 HB3 LEU A 94 -2.980 -12.612 -2.754 1.00 44.04 H new ATOM 0 HG LEU A 94 -1.884 -9.839 -3.393 1.00 40.13 H new ATOM 0 HD11 LEU A 94 0.299 -10.937 -3.762 1.00 3.13 H new ATOM 0 HD12 LEU A 94 -0.250 -11.073 -2.074 1.00 3.13 H new ATOM 0 HD13 LEU A 94 -0.383 -12.470 -3.169 1.00 3.13 H new ATOM 0 HD21 LEU A 94 -1.335 -10.793 -5.624 1.00 15.41 H new ATOM 0 HD22 LEU A 94 -2.144 -12.309 -5.162 1.00 15.41 H new ATOM 0 HD23 LEU A 94 -3.085 -10.806 -5.301 1.00 15.41 H new ATOM 1520 N GLU A 95 -5.625 -11.471 -0.781 1.00 12.23 N ATOM 1521 CA GLU A 95 -6.665 -12.064 0.092 1.00 75.31 C ATOM 1522 C GLU A 95 -8.067 -11.869 -0.541 1.00 42.25 C ATOM 1523 O GLU A 95 -8.889 -12.799 -0.558 1.00 51.05 O ATOM 1524 CB GLU A 95 -6.552 -11.417 1.518 1.00 20.13 C ATOM 1525 CG GLU A 95 -7.422 -12.017 2.656 1.00 64.14 C ATOM 1526 CD GLU A 95 -8.931 -11.722 2.538 1.00 74.25 C ATOM 1527 OE1 GLU A 95 -9.306 -10.529 2.497 1.00 23.14 O ATOM 1528 OE2 GLU A 95 -9.748 -12.675 2.503 1.00 12.11 O ATOM 0 H GLU A 95 -5.051 -10.775 -0.305 1.00 12.23 H new ATOM 0 HA GLU A 95 -6.516 -13.139 0.194 1.00 75.31 H new ATOM 0 HB2 GLU A 95 -5.509 -11.472 1.829 1.00 20.13 H new ATOM 0 HB3 GLU A 95 -6.802 -10.360 1.427 1.00 20.13 H new ATOM 0 HG2 GLU A 95 -7.277 -13.097 2.674 1.00 64.14 H new ATOM 0 HG3 GLU A 95 -7.064 -11.631 3.610 1.00 64.14 H new ATOM 1535 N ALA A 96 -8.294 -10.674 -1.129 1.00 33.12 N ATOM 1536 CA ALA A 96 -9.570 -10.339 -1.788 1.00 0.40 C ATOM 1537 C ALA A 96 -9.680 -11.071 -3.143 1.00 43.11 C ATOM 1538 O ALA A 96 -10.780 -11.275 -3.654 1.00 64.54 O ATOM 1539 CB ALA A 96 -9.697 -8.816 -1.977 1.00 43.43 C ATOM 0 H ALA A 96 -7.604 -9.923 -1.159 1.00 33.12 H new ATOM 0 HA ALA A 96 -10.390 -10.670 -1.150 1.00 0.40 H new ATOM 0 HB1 ALA A 96 -10.645 -8.588 -2.465 1.00 43.43 H new ATOM 0 HB2 ALA A 96 -9.662 -8.325 -1.005 1.00 43.43 H new ATOM 0 HB3 ALA A 96 -8.875 -8.456 -2.595 1.00 43.43 H new ATOM 1545 N MET A 97 -8.520 -11.485 -3.707 1.00 65.32 N ATOM 1546 CA MET A 97 -8.452 -12.211 -4.993 1.00 40.35 C ATOM 1547 C MET A 97 -8.444 -13.737 -4.733 1.00 12.34 C ATOM 1548 O MET A 97 -8.288 -14.518 -5.671 1.00 71.33 O ATOM 1549 CB MET A 97 -7.174 -11.787 -5.779 1.00 30.41 C ATOM 1550 CG MET A 97 -7.063 -10.286 -6.053 1.00 72.52 C ATOM 1551 SD MET A 97 -8.454 -9.631 -7.000 1.00 73.45 S ATOM 1552 CE MET A 97 -8.128 -7.871 -6.900 1.00 1.03 C ATOM 0 H MET A 97 -7.607 -11.324 -3.282 1.00 65.32 H new ATOM 0 HA MET A 97 -9.327 -11.961 -5.593 1.00 40.35 H new ATOM 0 HB2 MET A 97 -6.296 -12.106 -5.218 1.00 30.41 H new ATOM 0 HB3 MET A 97 -7.155 -12.319 -6.730 1.00 30.41 H new ATOM 0 HG2 MET A 97 -6.995 -9.754 -5.104 1.00 72.52 H new ATOM 0 HG3 MET A 97 -6.138 -10.090 -6.595 1.00 72.52 H new ATOM 0 HE1 MET A 97 -9.071 -7.325 -6.916 1.00 1.03 H new ATOM 0 HE2 MET A 97 -7.597 -7.651 -5.974 1.00 1.03 H new ATOM 0 HE3 MET A 97 -7.517 -7.565 -7.749 1.00 1.03 H new ATOM 1562 N LYS A 98 -8.594 -14.125 -3.434 1.00 3.33 N ATOM 1563 CA LYS A 98 -8.623 -15.530 -2.944 1.00 21.13 C ATOM 1564 C LYS A 98 -7.230 -16.204 -2.987 1.00 70.22 C ATOM 1565 O LYS A 98 -7.102 -17.402 -2.713 1.00 72.33 O ATOM 1566 CB LYS A 98 -9.695 -16.378 -3.702 1.00 22.44 C ATOM 1567 CG LYS A 98 -11.140 -15.810 -3.636 1.00 22.53 C ATOM 1568 CD LYS A 98 -11.743 -15.817 -2.211 1.00 24.04 C ATOM 1569 CE LYS A 98 -11.899 -17.237 -1.630 1.00 60.31 C ATOM 1570 NZ LYS A 98 -12.761 -18.099 -2.477 1.00 11.54 N ATOM 0 H LYS A 98 -8.701 -13.447 -2.679 1.00 3.33 H new ATOM 0 HA LYS A 98 -8.914 -15.488 -1.894 1.00 21.13 H new ATOM 0 HB2 LYS A 98 -9.399 -16.461 -4.748 1.00 22.44 H new ATOM 0 HB3 LYS A 98 -9.697 -17.387 -3.290 1.00 22.44 H new ATOM 0 HG2 LYS A 98 -11.138 -14.788 -4.016 1.00 22.53 H new ATOM 0 HG3 LYS A 98 -11.782 -16.394 -4.296 1.00 22.53 H new ATOM 0 HD2 LYS A 98 -11.107 -15.228 -1.550 1.00 24.04 H new ATOM 0 HD3 LYS A 98 -12.718 -15.330 -2.233 1.00 24.04 H new ATOM 0 HE2 LYS A 98 -10.916 -17.696 -1.530 1.00 60.31 H new ATOM 0 HE3 LYS A 98 -12.325 -17.173 -0.629 1.00 60.31 H new ATOM 0 HZ1 LYS A 98 -12.948 -18.995 -1.983 1.00 11.54 H new ATOM 0 HZ2 LYS A 98 -13.661 -17.613 -2.664 1.00 11.54 H new ATOM 0 HZ3 LYS A 98 -12.279 -18.294 -3.378 1.00 11.54 H new ATOM 1584 N ASP A 99 -6.186 -15.402 -3.253 1.00 41.50 N ATOM 1585 CA ASP A 99 -4.792 -15.865 -3.382 1.00 14.54 C ATOM 1586 C ASP A 99 -4.068 -15.808 -2.032 1.00 51.43 C ATOM 1587 O ASP A 99 -3.009 -15.186 -1.901 1.00 30.31 O ATOM 1588 CB ASP A 99 -4.041 -15.022 -4.446 1.00 32.04 C ATOM 1589 CG ASP A 99 -4.553 -15.280 -5.864 1.00 2.35 C ATOM 1590 OD1 ASP A 99 -4.278 -16.374 -6.403 1.00 23.12 O ATOM 1591 OD2 ASP A 99 -5.241 -14.413 -6.439 1.00 3.34 O ATOM 0 H ASP A 99 -6.287 -14.396 -3.387 1.00 41.50 H new ATOM 0 HA ASP A 99 -4.805 -16.904 -3.710 1.00 14.54 H new ATOM 0 HB2 ASP A 99 -4.151 -13.963 -4.210 1.00 32.04 H new ATOM 0 HB3 ASP A 99 -2.976 -15.250 -4.400 1.00 32.04 H new ATOM 1596 N TYR A 100 -4.655 -16.486 -1.041 1.00 34.41 N ATOM 1597 CA TYR A 100 -4.068 -16.666 0.309 1.00 24.22 C ATOM 1598 C TYR A 100 -2.694 -17.335 0.211 1.00 31.02 C ATOM 1599 O TYR A 100 -1.775 -17.025 0.975 1.00 51.15 O ATOM 1600 CB TYR A 100 -5.021 -17.528 1.176 1.00 25.10 C ATOM 1601 CG TYR A 100 -6.472 -17.058 1.092 1.00 73.43 C ATOM 1602 CD1 TYR A 100 -6.800 -15.739 1.377 1.00 70.32 C ATOM 1603 CD2 TYR A 100 -7.503 -17.913 0.693 1.00 30.44 C ATOM 1604 CE1 TYR A 100 -8.087 -15.292 1.260 1.00 52.41 C ATOM 1605 CE2 TYR A 100 -8.800 -17.460 0.584 1.00 42.42 C ATOM 1606 CZ TYR A 100 -9.082 -16.148 0.872 1.00 11.23 C ATOM 1607 OH TYR A 100 -10.367 -15.684 0.761 1.00 13.40 O ATOM 0 H TYR A 100 -5.565 -16.935 -1.146 1.00 34.41 H new ATOM 0 HA TYR A 100 -3.941 -15.689 0.774 1.00 24.22 H new ATOM 0 HB2 TYR A 100 -4.960 -18.568 0.854 1.00 25.10 H new ATOM 0 HB3 TYR A 100 -4.691 -17.496 2.214 1.00 25.10 H new ATOM 0 HD1 TYR A 100 -6.027 -15.056 1.696 1.00 70.32 H new ATOM 0 HD2 TYR A 100 -7.280 -18.945 0.466 1.00 30.44 H new ATOM 0 HE1 TYR A 100 -8.319 -14.259 1.475 1.00 52.41 H new ATOM 0 HE2 TYR A 100 -9.587 -18.131 0.275 1.00 42.42 H new ATOM 0 HH TYR A 100 -10.352 -14.735 0.518 1.00 13.40 H new ATOM 1617 N THR A 101 -2.604 -18.238 -0.775 1.00 64.04 N ATOM 1618 CA THR A 101 -1.395 -18.964 -1.153 1.00 33.00 C ATOM 1619 C THR A 101 -0.237 -18.012 -1.507 1.00 45.34 C ATOM 1620 O THR A 101 0.919 -18.345 -1.287 1.00 31.22 O ATOM 1621 CB THR A 101 -1.712 -19.874 -2.377 1.00 74.30 C ATOM 1622 OG1 THR A 101 -2.286 -19.071 -3.426 1.00 51.05 O ATOM 1623 CG2 THR A 101 -2.680 -21.018 -2.013 1.00 43.54 C ATOM 0 H THR A 101 -3.407 -18.489 -1.351 1.00 64.04 H new ATOM 0 HA THR A 101 -1.079 -19.563 -0.299 1.00 33.00 H new ATOM 0 HB THR A 101 -0.779 -20.328 -2.710 1.00 74.30 H new ATOM 0 HG1 THR A 101 -2.486 -19.638 -4.200 1.00 51.05 H new ATOM 0 HG21 THR A 101 -2.873 -21.627 -2.897 1.00 43.54 H new ATOM 0 HG22 THR A 101 -2.234 -21.638 -1.235 1.00 43.54 H new ATOM 0 HG23 THR A 101 -3.618 -20.599 -1.650 1.00 43.54 H new ATOM 1631 N LYS A 102 -0.573 -16.848 -2.110 1.00 22.52 N ATOM 1632 CA LYS A 102 0.419 -15.824 -2.502 1.00 11.42 C ATOM 1633 C LYS A 102 0.636 -14.826 -1.352 1.00 51.40 C ATOM 1634 O LYS A 102 1.761 -14.406 -1.084 1.00 61.35 O ATOM 1635 CB LYS A 102 -0.036 -15.092 -3.798 1.00 32.23 C ATOM 1636 CG LYS A 102 -0.319 -15.992 -5.039 1.00 74.04 C ATOM 1637 CD LYS A 102 0.913 -16.779 -5.595 1.00 34.50 C ATOM 1638 CE LYS A 102 1.183 -18.122 -4.884 1.00 4.12 C ATOM 1639 NZ LYS A 102 2.371 -18.830 -5.426 1.00 21.22 N ATOM 0 H LYS A 102 -1.535 -16.595 -2.337 1.00 22.52 H new ATOM 0 HA LYS A 102 1.369 -16.317 -2.710 1.00 11.42 H new ATOM 0 HB2 LYS A 102 -0.941 -14.527 -3.572 1.00 32.23 H new ATOM 0 HB3 LYS A 102 0.732 -14.368 -4.069 1.00 32.23 H new ATOM 0 HG2 LYS A 102 -1.097 -16.708 -4.776 1.00 74.04 H new ATOM 0 HG3 LYS A 102 -0.718 -15.366 -5.837 1.00 74.04 H new ATOM 0 HD2 LYS A 102 0.759 -16.968 -6.657 1.00 34.50 H new ATOM 0 HD3 LYS A 102 1.800 -16.151 -5.508 1.00 34.50 H new ATOM 0 HE2 LYS A 102 1.328 -17.942 -3.819 1.00 4.12 H new ATOM 0 HE3 LYS A 102 0.307 -18.763 -4.983 1.00 4.12 H new ATOM 0 HZ1 LYS A 102 2.506 -19.725 -4.913 1.00 21.22 H new ATOM 0 HZ2 LYS A 102 2.226 -19.029 -6.436 1.00 21.22 H new ATOM 0 HZ3 LYS A 102 3.214 -18.233 -5.309 1.00 21.22 H new ATOM 1653 N ALA A 103 -0.476 -14.474 -0.679 1.00 25.23 N ATOM 1654 CA ALA A 103 -0.503 -13.492 0.422 1.00 22.25 C ATOM 1655 C ALA A 103 0.404 -13.919 1.590 1.00 61.04 C ATOM 1656 O ALA A 103 1.126 -13.093 2.166 1.00 0.22 O ATOM 1657 CB ALA A 103 -1.950 -13.289 0.904 1.00 11.32 C ATOM 0 H ALA A 103 -1.393 -14.869 -0.887 1.00 25.23 H new ATOM 0 HA ALA A 103 -0.115 -12.547 0.042 1.00 22.25 H new ATOM 0 HB1 ALA A 103 -1.964 -12.563 1.717 1.00 11.32 H new ATOM 0 HB2 ALA A 103 -2.560 -12.922 0.079 1.00 11.32 H new ATOM 0 HB3 ALA A 103 -2.352 -14.238 1.258 1.00 11.32 H new ATOM 1663 N MET A 104 0.392 -15.232 1.886 1.00 22.13 N ATOM 1664 CA MET A 104 1.181 -15.831 2.979 1.00 22.01 C ATOM 1665 C MET A 104 2.699 -15.719 2.724 1.00 64.20 C ATOM 1666 O MET A 104 3.496 -15.799 3.656 1.00 31.35 O ATOM 1667 CB MET A 104 0.785 -17.311 3.196 1.00 63.34 C ATOM 1668 CG MET A 104 1.210 -18.272 2.078 1.00 12.41 C ATOM 1669 SD MET A 104 0.711 -19.976 2.398 1.00 13.24 S ATOM 1670 CE MET A 104 -1.067 -19.813 2.527 1.00 10.03 C ATOM 0 H MET A 104 -0.168 -15.911 1.371 1.00 22.13 H new ATOM 0 HA MET A 104 0.953 -15.267 3.883 1.00 22.01 H new ATOM 0 HB2 MET A 104 1.223 -17.654 4.134 1.00 63.34 H new ATOM 0 HB3 MET A 104 -0.298 -17.368 3.310 1.00 63.34 H new ATOM 0 HG2 MET A 104 0.775 -17.941 1.135 1.00 12.41 H new ATOM 0 HG3 MET A 104 2.293 -18.231 1.961 1.00 12.41 H new ATOM 0 HE1 MET A 104 -1.364 -19.883 3.573 1.00 10.03 H new ATOM 0 HE2 MET A 104 -1.374 -18.847 2.127 1.00 10.03 H new ATOM 0 HE3 MET A 104 -1.548 -20.610 1.960 1.00 10.03 H new ATOM 1680 N ASP A 105 3.101 -15.586 1.452 1.00 3.20 N ATOM 1681 CA ASP A 105 4.500 -15.286 1.103 1.00 24.20 C ATOM 1682 C ASP A 105 4.794 -13.810 1.375 1.00 1.32 C ATOM 1683 O ASP A 105 5.850 -13.479 1.891 1.00 2.31 O ATOM 1684 CB ASP A 105 4.805 -15.619 -0.378 1.00 53.31 C ATOM 1685 CG ASP A 105 4.685 -17.120 -0.674 1.00 40.12 C ATOM 1686 OD1 ASP A 105 3.571 -17.584 -0.989 1.00 63.24 O ATOM 1687 OD2 ASP A 105 5.703 -17.844 -0.585 1.00 43.53 O ATOM 0 H ASP A 105 2.480 -15.681 0.648 1.00 3.20 H new ATOM 0 HA ASP A 105 5.142 -15.912 1.723 1.00 24.20 H new ATOM 0 HB2 ASP A 105 4.118 -15.068 -1.021 1.00 53.31 H new ATOM 0 HB3 ASP A 105 5.812 -15.282 -0.624 1.00 53.31 H new ATOM 1692 N VAL A 106 3.810 -12.937 1.087 1.00 31.44 N ATOM 1693 CA VAL A 106 4.015 -11.476 1.074 1.00 5.35 C ATOM 1694 C VAL A 106 4.133 -10.926 2.512 1.00 33.15 C ATOM 1695 O VAL A 106 4.986 -10.068 2.785 1.00 53.33 O ATOM 1696 CB VAL A 106 2.855 -10.751 0.294 1.00 0.32 C ATOM 1697 CG1 VAL A 106 3.069 -9.228 0.275 1.00 44.13 C ATOM 1698 CG2 VAL A 106 2.731 -11.300 -1.148 1.00 20.12 C ATOM 0 H VAL A 106 2.858 -13.222 0.858 1.00 31.44 H new ATOM 0 HA VAL A 106 4.951 -11.273 0.553 1.00 5.35 H new ATOM 0 HB VAL A 106 1.922 -10.956 0.820 1.00 0.32 H new ATOM 0 HG11 VAL A 106 2.253 -8.753 -0.270 1.00 44.13 H new ATOM 0 HG12 VAL A 106 3.090 -8.851 1.297 1.00 44.13 H new ATOM 0 HG13 VAL A 106 4.015 -9.000 -0.216 1.00 44.13 H new ATOM 0 HG21 VAL A 106 1.923 -10.783 -1.666 1.00 20.12 H new ATOM 0 HG22 VAL A 106 3.667 -11.136 -1.682 1.00 20.12 H new ATOM 0 HG23 VAL A 106 2.515 -12.368 -1.113 1.00 20.12 H new ATOM 1708 N TYR A 107 3.281 -11.452 3.421 1.00 41.25 N ATOM 1709 CA TYR A 107 3.319 -11.111 4.864 1.00 12.54 C ATOM 1710 C TYR A 107 4.691 -11.522 5.457 1.00 62.53 C ATOM 1711 O TYR A 107 5.266 -10.818 6.289 1.00 2.13 O ATOM 1712 CB TYR A 107 2.130 -11.799 5.648 1.00 14.52 C ATOM 1713 CG TYR A 107 2.525 -12.987 6.561 1.00 43.21 C ATOM 1714 CD1 TYR A 107 2.638 -14.281 6.062 1.00 43.23 C ATOM 1715 CD2 TYR A 107 2.833 -12.799 7.911 1.00 53.15 C ATOM 1716 CE1 TYR A 107 3.044 -15.334 6.863 1.00 42.32 C ATOM 1717 CE2 TYR A 107 3.225 -13.851 8.711 1.00 74.05 C ATOM 1718 CZ TYR A 107 3.331 -15.111 8.188 1.00 15.44 C ATOM 1719 OH TYR A 107 3.729 -16.154 9.000 1.00 74.30 O ATOM 0 H TYR A 107 2.551 -12.122 3.178 1.00 41.25 H new ATOM 0 HA TYR A 107 3.194 -10.034 4.974 1.00 12.54 H new ATOM 0 HB2 TYR A 107 1.637 -11.043 6.259 1.00 14.52 H new ATOM 0 HB3 TYR A 107 1.396 -12.151 4.923 1.00 14.52 H new ATOM 0 HD1 TYR A 107 2.403 -14.468 5.025 1.00 43.23 H new ATOM 0 HD2 TYR A 107 2.762 -11.809 8.336 1.00 53.15 H new ATOM 0 HE1 TYR A 107 3.135 -16.327 6.448 1.00 42.32 H new ATOM 0 HE2 TYR A 107 3.449 -13.680 9.754 1.00 74.05 H new ATOM 0 HH TYR A 107 2.939 -16.626 9.337 1.00 74.30 H new ATOM 1729 N GLN A 108 5.175 -12.699 4.999 1.00 34.23 N ATOM 1730 CA GLN A 108 6.414 -13.328 5.474 1.00 53.24 C ATOM 1731 C GLN A 108 7.588 -12.443 5.060 1.00 11.42 C ATOM 1732 O GLN A 108 8.453 -12.125 5.870 1.00 25.24 O ATOM 1733 CB GLN A 108 6.519 -14.770 4.869 1.00 33.14 C ATOM 1734 CG GLN A 108 7.507 -15.741 5.552 1.00 23.45 C ATOM 1735 CD GLN A 108 8.984 -15.475 5.241 1.00 11.45 C ATOM 1736 OE1 GLN A 108 9.543 -16.008 4.278 1.00 21.24 O ATOM 1737 NE2 GLN A 108 9.618 -14.640 6.035 1.00 12.41 N ATOM 0 H GLN A 108 4.702 -13.242 4.277 1.00 34.23 H new ATOM 0 HA GLN A 108 6.423 -13.425 6.560 1.00 53.24 H new ATOM 0 HB2 GLN A 108 5.527 -15.222 4.893 1.00 33.14 H new ATOM 0 HB3 GLN A 108 6.802 -14.679 3.820 1.00 33.14 H new ATOM 0 HG2 GLN A 108 7.361 -15.687 6.631 1.00 23.45 H new ATOM 0 HG3 GLN A 108 7.263 -16.759 5.248 1.00 23.45 H new ATOM 0 HE21 GLN A 108 9.129 -14.215 6.823 1.00 12.41 H new ATOM 0 HE22 GLN A 108 10.598 -14.417 5.863 1.00 12.41 H new ATOM 1746 N LYS A 109 7.552 -12.006 3.789 1.00 13.11 N ATOM 1747 CA LYS A 109 8.590 -11.163 3.192 1.00 35.00 C ATOM 1748 C LYS A 109 8.531 -9.729 3.752 1.00 4.02 C ATOM 1749 O LYS A 109 9.535 -9.024 3.735 1.00 63.52 O ATOM 1750 CB LYS A 109 8.485 -11.176 1.642 1.00 12.32 C ATOM 1751 CG LYS A 109 8.672 -12.580 1.003 1.00 4.30 C ATOM 1752 CD LYS A 109 10.034 -13.250 1.331 1.00 3.54 C ATOM 1753 CE LYS A 109 11.228 -12.561 0.650 1.00 44.04 C ATOM 1754 NZ LYS A 109 12.532 -13.139 1.083 1.00 33.24 N ATOM 0 H LYS A 109 6.793 -12.233 3.146 1.00 13.11 H new ATOM 0 HA LYS A 109 9.562 -11.577 3.462 1.00 35.00 H new ATOM 0 HB2 LYS A 109 7.510 -10.784 1.352 1.00 12.32 H new ATOM 0 HB3 LYS A 109 9.235 -10.500 1.232 1.00 12.32 H new ATOM 0 HG2 LYS A 109 7.867 -13.232 1.343 1.00 4.30 H new ATOM 0 HG3 LYS A 109 8.574 -12.491 -0.079 1.00 4.30 H new ATOM 0 HD2 LYS A 109 10.185 -13.241 2.410 1.00 3.54 H new ATOM 0 HD3 LYS A 109 10.001 -14.295 1.022 1.00 3.54 H new ATOM 0 HE2 LYS A 109 11.132 -12.656 -0.432 1.00 44.04 H new ATOM 0 HE3 LYS A 109 11.210 -11.496 0.880 1.00 44.04 H new ATOM 0 HZ1 LYS A 109 13.233 -13.023 0.323 1.00 33.24 H new ATOM 0 HZ2 LYS A 109 12.863 -12.647 1.937 1.00 33.24 H new ATOM 0 HZ3 LYS A 109 12.411 -14.151 1.291 1.00 33.24 H new ATOM 1768 N ALA A 110 7.353 -9.314 4.255 1.00 43.44 N ATOM 1769 CA ALA A 110 7.203 -8.052 5.007 1.00 63.34 C ATOM 1770 C ALA A 110 7.939 -8.158 6.355 1.00 43.40 C ATOM 1771 O ALA A 110 8.713 -7.267 6.720 1.00 53.11 O ATOM 1772 CB ALA A 110 5.712 -7.707 5.208 1.00 30.01 C ATOM 0 H ALA A 110 6.484 -9.839 4.153 1.00 43.44 H new ATOM 0 HA ALA A 110 7.650 -7.241 4.432 1.00 63.34 H new ATOM 0 HB1 ALA A 110 5.626 -6.774 5.764 1.00 30.01 H new ATOM 0 HB2 ALA A 110 5.230 -7.596 4.237 1.00 30.01 H new ATOM 0 HB3 ALA A 110 5.225 -8.507 5.765 1.00 30.01 H new ATOM 1778 N LEU A 111 7.691 -9.275 7.082 1.00 52.53 N ATOM 1779 CA LEU A 111 8.359 -9.571 8.373 1.00 32.20 C ATOM 1780 C LEU A 111 9.872 -9.815 8.171 1.00 51.12 C ATOM 1781 O LEU A 111 10.678 -9.559 9.069 1.00 13.11 O ATOM 1782 CB LEU A 111 7.725 -10.816 9.059 1.00 53.34 C ATOM 1783 CG LEU A 111 6.228 -10.707 9.495 1.00 40.14 C ATOM 1784 CD1 LEU A 111 5.751 -12.030 10.121 1.00 62.22 C ATOM 1785 CD2 LEU A 111 5.988 -9.531 10.466 1.00 12.42 C ATOM 0 H LEU A 111 7.026 -9.992 6.792 1.00 52.53 H new ATOM 0 HA LEU A 111 8.220 -8.701 9.015 1.00 32.20 H new ATOM 0 HB2 LEU A 111 7.817 -11.661 8.377 1.00 53.34 H new ATOM 0 HB3 LEU A 111 8.318 -11.053 9.942 1.00 53.34 H new ATOM 0 HG LEU A 111 5.643 -10.508 8.597 1.00 40.14 H new ATOM 0 HD11 LEU A 111 4.707 -11.936 10.419 1.00 62.22 H new ATOM 0 HD12 LEU A 111 5.849 -12.834 9.392 1.00 62.22 H new ATOM 0 HD13 LEU A 111 6.359 -12.258 10.997 1.00 62.22 H new ATOM 0 HD21 LEU A 111 4.934 -9.495 10.741 1.00 12.42 H new ATOM 0 HD22 LEU A 111 6.592 -9.670 11.362 1.00 12.42 H new ATOM 0 HD23 LEU A 111 6.268 -8.596 9.981 1.00 12.42 H new ATOM 1797 N ASP A 112 10.225 -10.304 6.970 1.00 71.04 N ATOM 1798 CA ASP A 112 11.603 -10.629 6.562 1.00 53.21 C ATOM 1799 C ASP A 112 12.435 -9.341 6.390 1.00 30.54 C ATOM 1800 O ASP A 112 13.663 -9.362 6.493 1.00 64.44 O ATOM 1801 CB ASP A 112 11.542 -11.467 5.250 1.00 44.14 C ATOM 1802 CG ASP A 112 12.902 -11.846 4.644 1.00 14.33 C ATOM 1803 OD1 ASP A 112 13.735 -12.442 5.353 1.00 53.34 O ATOM 1804 OD2 ASP A 112 13.128 -11.575 3.444 1.00 23.12 O ATOM 0 H ASP A 112 9.541 -10.489 6.236 1.00 71.04 H new ATOM 0 HA ASP A 112 12.099 -11.219 7.333 1.00 53.21 H new ATOM 0 HB2 ASP A 112 10.985 -12.382 5.450 1.00 44.14 H new ATOM 0 HB3 ASP A 112 10.976 -10.905 4.507 1.00 44.14 H new ATOM 1809 N LEU A 113 11.733 -8.222 6.136 1.00 4.44 N ATOM 1810 CA LEU A 113 12.324 -6.871 6.100 1.00 61.33 C ATOM 1811 C LEU A 113 12.344 -6.279 7.524 1.00 72.24 C ATOM 1812 O LEU A 113 13.414 -5.996 8.078 1.00 14.10 O ATOM 1813 CB LEU A 113 11.512 -5.969 5.134 1.00 21.13 C ATOM 1814 CG LEU A 113 11.434 -6.472 3.663 1.00 2.52 C ATOM 1815 CD1 LEU A 113 10.552 -5.559 2.799 1.00 60.42 C ATOM 1816 CD2 LEU A 113 12.841 -6.645 3.054 1.00 71.54 C ATOM 0 H LEU A 113 10.730 -8.230 5.948 1.00 4.44 H new ATOM 0 HA LEU A 113 13.349 -6.927 5.734 1.00 61.33 H new ATOM 0 HB2 LEU A 113 10.498 -5.870 5.521 1.00 21.13 H new ATOM 0 HB3 LEU A 113 11.953 -4.972 5.137 1.00 21.13 H new ATOM 0 HG LEU A 113 10.961 -7.454 3.678 1.00 2.52 H new ATOM 0 HD11 LEU A 113 10.522 -5.942 1.779 1.00 60.42 H new ATOM 0 HD12 LEU A 113 9.542 -5.536 3.208 1.00 60.42 H new ATOM 0 HD13 LEU A 113 10.966 -4.551 2.796 1.00 60.42 H new ATOM 0 HD21 LEU A 113 12.752 -6.997 2.026 1.00 71.54 H new ATOM 0 HD22 LEU A 113 13.363 -5.688 3.066 1.00 71.54 H new ATOM 0 HD23 LEU A 113 13.404 -7.372 3.639 1.00 71.54 H new ATOM 1828 N ASP A 114 11.141 -6.124 8.112 1.00 52.05 N ATOM 1829 CA ASP A 114 10.957 -5.641 9.497 1.00 64.23 C ATOM 1830 C ASP A 114 9.711 -6.280 10.116 1.00 52.44 C ATOM 1831 O ASP A 114 8.591 -6.065 9.634 1.00 4.52 O ATOM 1832 CB ASP A 114 10.836 -4.083 9.573 1.00 63.23 C ATOM 1833 CG ASP A 114 12.193 -3.364 9.629 1.00 14.31 C ATOM 1834 OD1 ASP A 114 12.838 -3.379 10.706 1.00 21.42 O ATOM 1835 OD2 ASP A 114 12.629 -2.789 8.615 1.00 54.11 O ATOM 0 H ASP A 114 10.263 -6.332 7.636 1.00 52.05 H new ATOM 0 HA ASP A 114 11.845 -5.933 10.058 1.00 64.23 H new ATOM 0 HB2 ASP A 114 10.281 -3.727 8.705 1.00 63.23 H new ATOM 0 HB3 ASP A 114 10.255 -3.814 10.455 1.00 63.23 H new ATOM 1840 N SER A 115 9.923 -7.012 11.228 1.00 2.54 N ATOM 1841 CA SER A 115 8.848 -7.633 12.028 1.00 22.14 C ATOM 1842 C SER A 115 7.784 -6.592 12.462 1.00 43.10 C ATOM 1843 O SER A 115 6.615 -6.929 12.635 1.00 12.23 O ATOM 1844 CB SER A 115 9.459 -8.337 13.263 1.00 52.33 C ATOM 1845 OG SER A 115 10.183 -7.423 14.075 1.00 65.01 O ATOM 0 H SER A 115 10.856 -7.191 11.600 1.00 2.54 H new ATOM 0 HA SER A 115 8.342 -8.371 11.406 1.00 22.14 H new ATOM 0 HB2 SER A 115 8.665 -8.798 13.851 1.00 52.33 H new ATOM 0 HB3 SER A 115 10.121 -9.139 12.936 1.00 52.33 H new ATOM 0 HG SER A 115 10.556 -7.896 14.848 1.00 65.01 H new ATOM 1851 N SER A 116 8.210 -5.315 12.566 1.00 23.30 N ATOM 1852 CA SER A 116 7.347 -4.161 12.903 1.00 13.32 C ATOM 1853 C SER A 116 6.070 -4.091 12.024 1.00 14.11 C ATOM 1854 O SER A 116 5.072 -3.493 12.425 1.00 72.34 O ATOM 1855 CB SER A 116 8.180 -2.863 12.780 1.00 24.42 C ATOM 1856 OG SER A 116 7.467 -1.714 13.210 1.00 1.34 O ATOM 0 H SER A 116 9.184 -5.051 12.415 1.00 23.30 H new ATOM 0 HA SER A 116 6.997 -4.283 13.928 1.00 13.32 H new ATOM 0 HB2 SER A 116 9.091 -2.963 13.370 1.00 24.42 H new ATOM 0 HB3 SER A 116 8.486 -2.729 11.742 1.00 24.42 H new ATOM 0 HG SER A 116 8.035 -0.921 13.114 1.00 1.34 H new ATOM 1862 N CYS A 117 6.103 -4.742 10.851 1.00 1.44 N ATOM 1863 CA CYS A 117 4.934 -4.881 9.954 1.00 75.43 C ATOM 1864 C CYS A 117 3.900 -5.949 10.445 1.00 0.12 C ATOM 1865 O CYS A 117 3.127 -6.450 9.631 1.00 5.54 O ATOM 1866 CB CYS A 117 5.402 -5.248 8.547 1.00 53.11 C ATOM 1867 SG CYS A 117 5.973 -6.945 8.422 1.00 23.53 S ATOM 0 H CYS A 117 6.945 -5.192 10.491 1.00 1.44 H new ATOM 0 HA CYS A 117 4.427 -3.916 9.956 1.00 75.43 H new ATOM 0 HB2 CYS A 117 4.583 -5.093 7.845 1.00 53.11 H new ATOM 0 HB3 CYS A 117 6.207 -4.576 8.251 1.00 53.11 H new ATOM 0 HG CYS A 117 7.194 -7.025 8.861 1.00 23.53 H new ATOM 1873 N LYS A 118 3.942 -6.352 11.746 1.00 51.14 N ATOM 1874 CA LYS A 118 2.973 -7.333 12.362 1.00 74.45 C ATOM 1875 C LYS A 118 1.480 -7.183 11.919 1.00 13.54 C ATOM 1876 O LYS A 118 0.719 -8.147 12.044 1.00 53.20 O ATOM 1877 CB LYS A 118 3.016 -7.262 13.920 1.00 71.05 C ATOM 1878 CG LYS A 118 4.365 -7.623 14.586 1.00 2.13 C ATOM 1879 CD LYS A 118 4.885 -9.036 14.208 1.00 73.42 C ATOM 1880 CE LYS A 118 3.949 -10.177 14.637 1.00 75.44 C ATOM 1881 NZ LYS A 118 3.799 -10.261 16.106 1.00 65.23 N ATOM 0 H LYS A 118 4.643 -6.013 12.405 1.00 51.14 H new ATOM 0 HA LYS A 118 3.320 -8.296 11.988 1.00 74.45 H new ATOM 0 HB2 LYS A 118 2.744 -6.251 14.224 1.00 71.05 H new ATOM 0 HB3 LYS A 118 2.250 -7.930 14.314 1.00 71.05 H new ATOM 0 HG2 LYS A 118 5.112 -6.882 14.301 1.00 2.13 H new ATOM 0 HG3 LYS A 118 4.254 -7.563 15.669 1.00 2.13 H new ATOM 0 HD2 LYS A 118 5.029 -9.083 13.129 1.00 73.42 H new ATOM 0 HD3 LYS A 118 5.862 -9.188 14.667 1.00 73.42 H new ATOM 0 HE2 LYS A 118 2.969 -10.030 14.182 1.00 75.44 H new ATOM 0 HE3 LYS A 118 4.337 -11.123 14.259 1.00 75.44 H new ATOM 0 HZ1 LYS A 118 3.172 -11.056 16.346 1.00 65.23 H new ATOM 0 HZ2 LYS A 118 4.731 -10.411 16.542 1.00 65.23 H new ATOM 0 HZ3 LYS A 118 3.388 -9.375 16.464 1.00 65.23 H new ATOM 1895 N GLU A 119 1.067 -5.991 11.434 1.00 51.31 N ATOM 1896 CA GLU A 119 -0.257 -5.783 10.783 1.00 1.50 C ATOM 1897 C GLU A 119 -0.533 -6.844 9.670 1.00 53.23 C ATOM 1898 O GLU A 119 -1.632 -7.395 9.580 1.00 43.03 O ATOM 1899 CB GLU A 119 -0.355 -4.337 10.210 1.00 13.52 C ATOM 1900 CG GLU A 119 0.829 -3.928 9.291 1.00 72.13 C ATOM 1901 CD GLU A 119 0.693 -2.552 8.601 1.00 3.14 C ATOM 1902 OE1 GLU A 119 -0.358 -1.883 8.721 1.00 11.55 O ATOM 1903 OE2 GLU A 119 1.639 -2.149 7.895 1.00 1.32 O ATOM 0 H GLU A 119 1.636 -5.145 11.480 1.00 51.31 H new ATOM 0 HA GLU A 119 -1.026 -5.912 11.545 1.00 1.50 H new ATOM 0 HB2 GLU A 119 -1.284 -4.245 9.648 1.00 13.52 H new ATOM 0 HB3 GLU A 119 -0.414 -3.634 11.041 1.00 13.52 H new ATOM 0 HG2 GLU A 119 1.743 -3.928 9.884 1.00 72.13 H new ATOM 0 HG3 GLU A 119 0.948 -4.690 8.521 1.00 72.13 H new ATOM 1910 N ALA A 120 0.491 -7.130 8.850 1.00 20.53 N ATOM 1911 CA ALA A 120 0.462 -8.193 7.823 1.00 44.30 C ATOM 1912 C ALA A 120 0.406 -9.608 8.455 1.00 72.12 C ATOM 1913 O ALA A 120 -0.160 -10.537 7.857 1.00 21.34 O ATOM 1914 CB ALA A 120 1.694 -8.061 6.907 1.00 43.30 C ATOM 0 H ALA A 120 1.376 -6.624 8.879 1.00 20.53 H new ATOM 0 HA ALA A 120 -0.447 -8.068 7.234 1.00 44.30 H new ATOM 0 HB1 ALA A 120 1.671 -8.846 6.151 1.00 43.30 H new ATOM 0 HB2 ALA A 120 1.682 -7.086 6.419 1.00 43.30 H new ATOM 0 HB3 ALA A 120 2.602 -8.158 7.502 1.00 43.30 H new ATOM 1920 N ALA A 121 0.972 -9.765 9.682 1.00 34.44 N ATOM 1921 CA ALA A 121 0.989 -11.067 10.386 1.00 42.44 C ATOM 1922 C ALA A 121 -0.420 -11.394 10.895 1.00 42.23 C ATOM 1923 O ALA A 121 -0.866 -12.536 10.827 1.00 22.04 O ATOM 1924 CB ALA A 121 2.017 -11.074 11.525 1.00 61.53 C ATOM 0 H ALA A 121 1.419 -9.007 10.198 1.00 34.44 H new ATOM 0 HA ALA A 121 1.294 -11.843 9.684 1.00 42.44 H new ATOM 0 HB1 ALA A 121 2.004 -12.044 12.021 1.00 61.53 H new ATOM 0 HB2 ALA A 121 3.011 -10.888 11.119 1.00 61.53 H new ATOM 0 HB3 ALA A 121 1.767 -10.295 12.245 1.00 61.53 H new ATOM 1930 N ASP A 122 -1.124 -10.347 11.359 1.00 21.52 N ATOM 1931 CA ASP A 122 -2.553 -10.406 11.716 1.00 2.12 C ATOM 1932 C ASP A 122 -3.379 -10.824 10.485 1.00 51.43 C ATOM 1933 O ASP A 122 -4.280 -11.674 10.577 1.00 0.14 O ATOM 1934 CB ASP A 122 -3.011 -9.018 12.246 1.00 14.30 C ATOM 1935 CG ASP A 122 -4.500 -8.971 12.649 1.00 60.40 C ATOM 1936 OD1 ASP A 122 -4.818 -9.344 13.796 1.00 25.51 O ATOM 1937 OD2 ASP A 122 -5.353 -8.542 11.827 1.00 51.34 O ATOM 0 H ASP A 122 -0.712 -9.424 11.499 1.00 21.52 H new ATOM 0 HA ASP A 122 -2.708 -11.147 12.500 1.00 2.12 H new ATOM 0 HB2 ASP A 122 -2.401 -8.748 13.108 1.00 14.30 H new ATOM 0 HB3 ASP A 122 -2.827 -8.267 11.478 1.00 14.30 H new ATOM 1942 N GLY A 123 -3.016 -10.225 9.325 1.00 11.22 N ATOM 1943 CA GLY A 123 -3.612 -10.563 8.033 1.00 5.52 C ATOM 1944 C GLY A 123 -3.399 -12.026 7.647 1.00 74.13 C ATOM 1945 O GLY A 123 -4.282 -12.639 7.036 1.00 43.42 O ATOM 0 H GLY A 123 -2.303 -9.498 9.271 1.00 11.22 H new ATOM 0 HA2 GLY A 123 -4.681 -10.352 8.065 1.00 5.52 H new ATOM 0 HA3 GLY A 123 -3.184 -9.923 7.262 1.00 5.52 H new ATOM 1949 N TYR A 124 -2.226 -12.592 8.016 1.00 31.32 N ATOM 1950 CA TYR A 124 -1.928 -14.020 7.792 1.00 61.11 C ATOM 1951 C TYR A 124 -2.898 -14.938 8.544 1.00 3.02 C ATOM 1952 O TYR A 124 -3.400 -15.887 7.954 1.00 15.52 O ATOM 1953 CB TYR A 124 -0.490 -14.383 8.200 1.00 74.15 C ATOM 1954 CG TYR A 124 -0.170 -15.887 8.081 1.00 34.35 C ATOM 1955 CD1 TYR A 124 -0.297 -16.554 6.855 1.00 42.53 C ATOM 1956 CD2 TYR A 124 0.258 -16.639 9.185 1.00 40.24 C ATOM 1957 CE1 TYR A 124 -0.017 -17.901 6.738 1.00 22.01 C ATOM 1958 CE2 TYR A 124 0.541 -17.987 9.068 1.00 51.24 C ATOM 1959 CZ TYR A 124 0.403 -18.614 7.847 1.00 4.11 C ATOM 1960 OH TYR A 124 0.675 -19.964 7.735 1.00 1.25 O ATOM 0 H TYR A 124 -1.472 -12.078 8.471 1.00 31.32 H new ATOM 0 HA TYR A 124 -2.046 -14.177 6.720 1.00 61.11 H new ATOM 0 HB2 TYR A 124 0.207 -13.822 7.577 1.00 74.15 H new ATOM 0 HB3 TYR A 124 -0.323 -14.066 9.229 1.00 74.15 H new ATOM 0 HD1 TYR A 124 -0.620 -16.003 5.984 1.00 42.53 H new ATOM 0 HD2 TYR A 124 0.369 -16.156 10.145 1.00 40.24 H new ATOM 0 HE1 TYR A 124 -0.125 -18.396 5.784 1.00 22.01 H new ATOM 0 HE2 TYR A 124 0.869 -18.548 9.930 1.00 51.24 H new ATOM 0 HH TYR A 124 0.959 -20.314 8.605 1.00 1.25 H new ATOM 1970 N GLN A 125 -3.127 -14.665 9.840 1.00 51.41 N ATOM 1971 CA GLN A 125 -4.070 -15.453 10.673 1.00 5.54 C ATOM 1972 C GLN A 125 -5.469 -15.570 10.025 1.00 73.23 C ATOM 1973 O GLN A 125 -6.200 -16.524 10.300 1.00 30.21 O ATOM 1974 CB GLN A 125 -4.148 -14.875 12.115 1.00 64.41 C ATOM 1975 CG GLN A 125 -3.097 -15.441 13.101 1.00 13.00 C ATOM 1976 CD GLN A 125 -1.656 -15.368 12.591 1.00 40.42 C ATOM 1977 OE1 GLN A 125 -1.147 -16.303 11.974 1.00 11.02 O ATOM 1978 NE2 GLN A 125 -1.004 -14.256 12.819 1.00 71.31 N ATOM 0 H GLN A 125 -2.672 -13.902 10.341 1.00 51.41 H new ATOM 0 HA GLN A 125 -3.677 -16.468 10.738 1.00 5.54 H new ATOM 0 HB2 GLN A 125 -4.031 -13.792 12.064 1.00 64.41 H new ATOM 0 HB3 GLN A 125 -5.143 -15.070 12.516 1.00 64.41 H new ATOM 0 HG2 GLN A 125 -3.166 -14.894 14.041 1.00 13.00 H new ATOM 0 HG3 GLN A 125 -3.342 -16.481 13.318 1.00 13.00 H new ATOM 0 HE21 GLN A 125 -1.453 -13.498 13.334 1.00 71.31 H new ATOM 0 HE22 GLN A 125 -0.047 -14.147 12.482 1.00 71.31 H new ATOM 1987 N ARG A 126 -5.824 -14.605 9.152 1.00 34.50 N ATOM 1988 CA ARG A 126 -7.006 -14.723 8.289 1.00 63.32 C ATOM 1989 C ARG A 126 -6.692 -15.587 7.045 1.00 52.51 C ATOM 1990 O ARG A 126 -7.462 -16.477 6.724 1.00 10.33 O ATOM 1991 CB ARG A 126 -7.533 -13.322 7.876 1.00 34.13 C ATOM 1992 CG ARG A 126 -8.676 -13.351 6.832 1.00 45.42 C ATOM 1993 CD ARG A 126 -9.337 -11.987 6.595 1.00 40.14 C ATOM 1994 NE ARG A 126 -10.232 -12.036 5.424 1.00 44.14 N ATOM 1995 CZ ARG A 126 -11.381 -11.374 5.266 1.00 54.54 C ATOM 1996 NH1 ARG A 126 -11.867 -10.573 6.214 1.00 53.42 N ATOM 1997 NH2 ARG A 126 -12.019 -11.483 4.108 1.00 44.10 N ATOM 0 H ARG A 126 -5.305 -13.736 9.030 1.00 34.50 H new ATOM 0 HA ARG A 126 -7.792 -15.222 8.856 1.00 63.32 H new ATOM 0 HB2 ARG A 126 -7.885 -12.802 8.767 1.00 34.13 H new ATOM 0 HB3 ARG A 126 -6.704 -12.740 7.473 1.00 34.13 H new ATOM 0 HG2 ARG A 126 -8.281 -13.722 5.886 1.00 45.42 H new ATOM 0 HG3 ARG A 126 -9.436 -14.060 7.160 1.00 45.42 H new ATOM 0 HD2 ARG A 126 -9.903 -11.693 7.479 1.00 40.14 H new ATOM 0 HD3 ARG A 126 -8.570 -11.228 6.441 1.00 40.14 H new ATOM 0 HE ARG A 126 -9.943 -12.639 4.654 1.00 44.14 H new ATOM 0 HH11 ARG A 126 -11.358 -10.452 7.090 1.00 53.42 H new ATOM 0 HH12 ARG A 126 -12.748 -10.081 6.064 1.00 53.42 H new ATOM 0 HH21 ARG A 126 -11.630 -12.062 3.364 1.00 44.10 H new ATOM 0 HH22 ARG A 126 -12.899 -10.988 3.962 1.00 44.10 H new ATOM 2011 N CYS A 127 -5.527 -15.360 6.394 1.00 32.22 N ATOM 2012 CA CYS A 127 -5.191 -15.994 5.088 1.00 3.11 C ATOM 2013 C CYS A 127 -5.087 -17.532 5.200 1.00 34.14 C ATOM 2014 O CYS A 127 -5.619 -18.263 4.350 1.00 4.11 O ATOM 2015 CB CYS A 127 -3.874 -15.401 4.538 1.00 14.14 C ATOM 2016 SG CYS A 127 -3.952 -13.632 4.177 1.00 24.20 S ATOM 0 H CYS A 127 -4.799 -14.741 6.750 1.00 32.22 H new ATOM 0 HA CYS A 127 -6.003 -15.776 4.394 1.00 3.11 H new ATOM 0 HB2 CYS A 127 -3.079 -15.578 5.262 1.00 14.14 H new ATOM 0 HB3 CYS A 127 -3.601 -15.934 3.628 1.00 14.14 H new ATOM 0 HG CYS A 127 -4.184 -12.975 5.274 1.00 24.20 H new ATOM 2022 N MET A 128 -4.414 -18.011 6.268 1.00 42.52 N ATOM 2023 CA MET A 128 -4.240 -19.453 6.531 1.00 34.12 C ATOM 2024 C MET A 128 -5.597 -20.152 6.748 1.00 30.10 C ATOM 2025 O MET A 128 -5.853 -21.194 6.157 1.00 55.21 O ATOM 2026 CB MET A 128 -3.306 -19.706 7.748 1.00 64.12 C ATOM 2027 CG MET A 128 -3.694 -18.974 9.045 1.00 5.14 C ATOM 2028 SD MET A 128 -2.805 -19.586 10.492 1.00 75.14 S ATOM 2029 CE MET A 128 -3.441 -21.260 10.605 1.00 12.52 C ATOM 0 H MET A 128 -3.978 -17.411 6.968 1.00 42.52 H new ATOM 0 HA MET A 128 -3.768 -19.881 5.646 1.00 34.12 H new ATOM 0 HB2 MET A 128 -3.282 -20.777 7.949 1.00 64.12 H new ATOM 0 HB3 MET A 128 -2.293 -19.411 7.474 1.00 64.12 H new ATOM 0 HG2 MET A 128 -3.496 -17.909 8.928 1.00 5.14 H new ATOM 0 HG3 MET A 128 -4.766 -19.083 9.211 1.00 5.14 H new ATOM 0 HE1 MET A 128 -3.360 -21.612 11.634 1.00 12.52 H new ATOM 0 HE2 MET A 128 -4.487 -21.273 10.299 1.00 12.52 H new ATOM 0 HE3 MET A 128 -2.863 -21.914 9.951 1.00 12.52 H new ATOM 2039 N MET A 129 -6.481 -19.548 7.567 1.00 72.31 N ATOM 2040 CA MET A 129 -7.780 -20.161 7.903 1.00 73.43 C ATOM 2041 C MET A 129 -8.773 -20.018 6.733 1.00 22.11 C ATOM 2042 O MET A 129 -9.638 -20.864 6.551 1.00 0.32 O ATOM 2043 CB MET A 129 -8.374 -19.554 9.206 1.00 73.51 C ATOM 2044 CG MET A 129 -8.849 -18.098 9.112 1.00 61.11 C ATOM 2045 SD MET A 129 -9.769 -17.551 10.569 1.00 2.13 S ATOM 2046 CE MET A 129 -11.261 -18.542 10.447 1.00 11.34 C ATOM 0 H MET A 129 -6.320 -18.641 8.006 1.00 72.31 H new ATOM 0 HA MET A 129 -7.608 -21.223 8.079 1.00 73.43 H new ATOM 0 HB2 MET A 129 -9.216 -20.171 9.520 1.00 73.51 H new ATOM 0 HB3 MET A 129 -7.620 -19.620 9.991 1.00 73.51 H new ATOM 0 HG2 MET A 129 -7.984 -17.449 8.972 1.00 61.11 H new ATOM 0 HG3 MET A 129 -9.479 -17.985 8.230 1.00 61.11 H new ATOM 0 HE1 MET A 129 -12.042 -18.102 11.067 1.00 11.34 H new ATOM 0 HE2 MET A 129 -11.595 -18.571 9.410 1.00 11.34 H new ATOM 0 HE3 MET A 129 -11.054 -19.556 10.790 1.00 11.34 H new ATOM 2056 N ALA A 130 -8.591 -18.955 5.926 1.00 13.32 N ATOM 2057 CA ALA A 130 -9.510 -18.576 4.834 1.00 32.31 C ATOM 2058 C ALA A 130 -9.549 -19.640 3.723 1.00 11.32 C ATOM 2059 O ALA A 130 -10.625 -19.982 3.219 1.00 10.25 O ATOM 2060 CB ALA A 130 -9.107 -17.211 4.268 1.00 0.41 C ATOM 0 H ALA A 130 -7.792 -18.327 6.015 1.00 13.32 H new ATOM 0 HA ALA A 130 -10.517 -18.509 5.246 1.00 32.31 H new ATOM 0 HB1 ALA A 130 -9.788 -16.936 3.463 1.00 0.41 H new ATOM 0 HB2 ALA A 130 -9.156 -16.461 5.057 1.00 0.41 H new ATOM 0 HB3 ALA A 130 -8.089 -17.264 3.881 1.00 0.41 H new ATOM 2066 N GLN A 131 -8.360 -20.151 3.350 1.00 32.50 N ATOM 2067 CA GLN A 131 -8.229 -21.257 2.374 1.00 12.22 C ATOM 2068 C GLN A 131 -8.753 -22.591 2.964 1.00 3.51 C ATOM 2069 O GLN A 131 -9.112 -23.504 2.218 1.00 41.41 O ATOM 2070 CB GLN A 131 -6.753 -21.422 1.908 1.00 53.23 C ATOM 2071 CG GLN A 131 -5.755 -21.564 3.058 1.00 3.54 C ATOM 2072 CD GLN A 131 -4.343 -21.966 2.640 1.00 14.33 C ATOM 2073 OE1 GLN A 131 -4.130 -22.539 1.570 1.00 71.23 O ATOM 2074 NE2 GLN A 131 -3.392 -21.775 3.530 1.00 63.55 N ATOM 0 H GLN A 131 -7.468 -19.814 3.712 1.00 32.50 H new ATOM 0 HA GLN A 131 -8.839 -21.000 1.508 1.00 12.22 H new ATOM 0 HB2 GLN A 131 -6.680 -22.300 1.266 1.00 53.23 H new ATOM 0 HB3 GLN A 131 -6.475 -20.560 1.302 1.00 53.23 H new ATOM 0 HG2 GLN A 131 -5.703 -20.616 3.594 1.00 3.54 H new ATOM 0 HG3 GLN A 131 -6.135 -22.306 3.760 1.00 3.54 H new ATOM 0 HE21 GLN A 131 -3.602 -21.297 4.406 1.00 63.55 H new ATOM 0 HE22 GLN A 131 -2.445 -22.105 3.343 1.00 63.55 H new ATOM 2083 N TYR A 132 -8.779 -22.698 4.314 1.00 41.33 N ATOM 2084 CA TYR A 132 -9.268 -23.904 5.024 1.00 41.02 C ATOM 2085 C TYR A 132 -10.700 -23.659 5.552 1.00 72.43 C ATOM 2086 O TYR A 132 -11.092 -24.172 6.605 1.00 62.53 O ATOM 2087 CB TYR A 132 -8.285 -24.259 6.189 1.00 72.02 C ATOM 2088 CG TYR A 132 -6.812 -24.432 5.773 1.00 62.23 C ATOM 2089 CD1 TYR A 132 -6.457 -24.833 4.480 1.00 41.32 C ATOM 2090 CD2 TYR A 132 -5.771 -24.170 6.671 1.00 60.41 C ATOM 2091 CE1 TYR A 132 -5.143 -24.971 4.104 1.00 32.11 C ATOM 2092 CE2 TYR A 132 -4.446 -24.308 6.295 1.00 51.42 C ATOM 2093 CZ TYR A 132 -4.138 -24.705 5.011 1.00 0.31 C ATOM 2094 OH TYR A 132 -2.821 -24.833 4.627 1.00 70.52 O ATOM 0 H TYR A 132 -8.464 -21.955 4.938 1.00 41.33 H new ATOM 0 HA TYR A 132 -9.304 -24.749 4.336 1.00 41.02 H new ATOM 0 HB2 TYR A 132 -8.343 -23.475 6.944 1.00 72.02 H new ATOM 0 HB3 TYR A 132 -8.624 -25.181 6.661 1.00 72.02 H new ATOM 0 HD1 TYR A 132 -7.235 -25.039 3.760 1.00 41.32 H new ATOM 0 HD2 TYR A 132 -6.006 -23.854 7.677 1.00 60.41 H new ATOM 0 HE1 TYR A 132 -4.897 -25.287 3.101 1.00 32.11 H new ATOM 0 HE2 TYR A 132 -3.657 -24.106 7.004 1.00 51.42 H new ATOM 0 HH TYR A 132 -2.237 -24.608 5.381 1.00 70.52 H new ATOM 2104 N ASN A 133 -11.491 -22.899 4.776 1.00 22.43 N ATOM 2105 CA ASN A 133 -12.924 -22.639 5.040 1.00 64.44 C ATOM 2106 C ASN A 133 -13.755 -23.220 3.875 1.00 74.42 C ATOM 2107 O ASN A 133 -14.582 -24.126 4.107 1.00 72.23 O ATOM 2108 CB ASN A 133 -13.211 -21.106 5.214 1.00 11.53 C ATOM 2109 CG ASN A 133 -13.080 -20.568 6.648 1.00 54.14 C ATOM 2110 OD1 ASN A 133 -12.149 -21.090 7.426 1.00 12.11 O flip ATOM 2111 ND2 ASN A 133 -13.810 -19.658 7.046 1.00 10.04 N flip ATOM 2112 OXT ASN A 133 -13.533 -22.796 2.718 1.00 37.87 O ATOM 0 H ASN A 133 -11.151 -22.438 3.932 1.00 22.43 H new ATOM 0 HA ASN A 133 -13.205 -23.123 5.975 1.00 64.44 H new ATOM 0 HB2 ASN A 133 -12.527 -20.551 4.572 1.00 11.53 H new ATOM 0 HB3 ASN A 133 -14.220 -20.900 4.858 1.00 11.53 H new ATOM 0 HD21 ASN A 133 -14.523 -19.269 6.429 1.00 10.04 H new ATOM 0 HD22 ASN A 133 -13.701 -19.294 7.993 1.00 10.04 H new TER 2119 ASN A 133