USER MOD reduce.3.24.130724 H: found=0, std=0, add=1086, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1092 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 70 SER OG : rot -99:sc= 0.347 USER MOD Set 1.2: B 126 THR OG1 : rot 180:sc= 0.545 USER MOD Set 2.1: A 74 TYR OH : rot 90:sc= -2.85! USER MOD Set 2.2: B 116 CYS SG : rot -58:sc= 0.391 USER MOD Set 2.3: B 120 THR OG1 : rot 44:sc= 1.48 USER MOD Set 3.1: A 123 ASN : amide:sc=-3.47e-05 X(o=-2.2,f=-1.8) USER MOD Set 3.2: B 70 SER OG : rot -130:sc= -0.189 USER MOD Set 3.3: B 71 GLN : amide:sc= -1.97! X(o=-2.2!,f=-2.7) USER MOD Set 4.1: A 84 MET CE :methyl -162:sc= -1.91 (180deg=-2.63!) USER MOD Set 4.2: B 84 MET CE :methyl 171:sc= -2.87! (180deg=-3.09!) USER MOD Set 5.1: A 71 GLN : amide:sc= -1.86 X(o=-2.4,f=-2.4) USER MOD Set 5.2: B 123 ASN : amide:sc= -0.566 K(o=-2.4,f=-13!) USER MOD Single : A 58 SER OG : rot 32:sc= 0.096 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 178:sc= -0.166 (180deg=-0.184) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.967 F(o=-2!,f=-0.97) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 159:sc= 0.514 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 142:sc= -0.0129 (180deg=-0.905) USER MOD Single : A 91 THR OG1 : rot 89:sc= 1.05 USER MOD Single : A 92 TYR OH : rot 180:sc= -0.7 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 164:sc= -0.0232 (180deg=-0.257) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -154:sc= -0.187 (180deg=-0.82) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.0491 X(o=-0.049,f=-0.094) USER MOD Single : A 116 CYS SG : rot 81:sc= 0.912 USER MOD Single : A 120 THR OG1 : rot 91:sc= 1.23 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 59 HIS : no HD1:sc= -0.0181 X(o=-0.018,f=-0.018) USER MOD Single : B 60 MET CE :methyl -129:sc= -0.492 (180deg=-3.78!) USER MOD Single : B 62 MET CE :methyl -166:sc= -0.0475 (180deg=-0.337) USER MOD Single : B 63 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00559) USER MOD Single : B 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 72 SER OG : rot -160:sc= 0.355 USER MOD Single : B 73 THR OG1 : rot 180:sc= 0.00684 USER MOD Single : B 74 TYR OH : rot 11:sc= -0.106 USER MOD Single : B 75 THR OG1 : rot 65:sc= 1.13 USER MOD Single : B 79 SER OG : rot 69:sc= 0.974 USER MOD Single : B 86 LYS NZ :NH3+ 177:sc= 0.572 (180deg=0.56) USER MOD Single : B 91 THR OG1 : rot 88:sc= 0.94 USER MOD Single : B 92 TYR OH : rot 180:sc= -0.628 USER MOD Single : B 95 SER OG : rot 180:sc= 0 USER MOD Single : B 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 SER OG : rot 180:sc= 0 USER MOD Single : B 99 MET CE :methyl -154:sc= -0.237 (180deg=-0.991) USER MOD Single : B 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 108 HIS : no HD1:sc= -0.0445 K(o=-0.045,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 58 -25.385 -26.427 7.622 1.00 2.44 N ATOM 2 CA SER A 58 -26.096 -26.619 8.905 1.00 41.42 C ATOM 3 C SER A 58 -25.114 -26.774 10.080 1.00 41.52 C ATOM 4 O SER A 58 -25.535 -26.805 11.240 1.00 30.54 O ATOM 5 CB SER A 58 -27.028 -27.838 8.797 1.00 64.44 C ATOM 6 OG SER A 58 -27.973 -27.652 7.755 1.00 61.03 O ATOM 0 HA SER A 58 -26.693 -25.730 9.108 1.00 41.42 H new ATOM 0 HB2 SER A 58 -26.441 -28.736 8.607 1.00 64.44 H new ATOM 0 HB3 SER A 58 -27.547 -27.991 9.743 1.00 64.44 H new ATOM 0 HG SER A 58 -27.570 -27.116 7.040 1.00 61.03 H new ATOM 14 N HIS A 59 -23.809 -26.888 9.764 1.00 53.30 N ATOM 15 CA HIS A 59 -22.730 -26.913 10.762 1.00 42.41 C ATOM 16 C HIS A 59 -22.512 -25.475 11.292 1.00 5.24 C ATOM 17 O HIS A 59 -21.743 -24.700 10.700 1.00 64.03 O ATOM 18 CB HIS A 59 -21.436 -27.507 10.123 1.00 45.33 C ATOM 19 CG HIS A 59 -20.255 -27.632 11.057 1.00 63.30 C ATOM 20 ND1 HIS A 59 -19.929 -28.804 11.702 1.00 14.23 N ATOM 21 CD2 HIS A 59 -19.312 -26.731 11.433 1.00 52.44 C ATOM 22 CE1 HIS A 59 -18.842 -28.618 12.420 1.00 41.13 C ATOM 23 NE2 HIS A 59 -18.449 -27.373 12.275 1.00 24.43 N ATOM 0 H HIS A 59 -23.476 -26.966 8.803 1.00 53.30 H new ATOM 0 HA HIS A 59 -22.996 -27.551 11.604 1.00 42.41 H new ATOM 0 HB2 HIS A 59 -21.668 -28.494 9.723 1.00 45.33 H new ATOM 0 HB3 HIS A 59 -21.147 -26.881 9.279 1.00 45.33 H new ATOM 0 HD2 HIS A 59 -19.255 -25.698 11.124 1.00 52.44 H new ATOM 0 HE1 HIS A 59 -18.354 -29.365 13.028 1.00 41.13 H new ATOM 0 HE2 HIS A 59 -17.632 -26.954 12.719 1.00 24.43 H new ATOM 32 N MET A 60 -23.247 -25.130 12.371 1.00 15.55 N ATOM 33 CA MET A 60 -23.246 -23.787 12.996 1.00 70.40 C ATOM 34 C MET A 60 -23.736 -22.713 11.993 1.00 74.24 C ATOM 35 O MET A 60 -22.956 -22.132 11.242 1.00 52.45 O ATOM 36 CB MET A 60 -21.848 -23.430 13.597 1.00 22.45 C ATOM 37 CG MET A 60 -21.808 -22.117 14.397 1.00 2.42 C ATOM 38 SD MET A 60 -20.176 -21.793 15.103 1.00 10.55 S ATOM 39 CE MET A 60 -20.411 -20.196 15.888 1.00 13.53 C ATOM 0 H MET A 60 -23.869 -25.788 12.841 1.00 15.55 H new ATOM 0 HA MET A 60 -23.948 -23.805 13.829 1.00 70.40 H new ATOM 0 HB2 MET A 60 -21.528 -24.245 14.246 1.00 22.45 H new ATOM 0 HB3 MET A 60 -21.124 -23.367 12.785 1.00 22.45 H new ATOM 0 HG2 MET A 60 -22.091 -21.289 13.747 1.00 2.42 H new ATOM 0 HG3 MET A 60 -22.546 -22.160 15.198 1.00 2.42 H new ATOM 0 HE1 MET A 60 -19.480 -19.882 16.360 1.00 13.53 H new ATOM 0 HE2 MET A 60 -20.703 -19.461 15.138 1.00 13.53 H new ATOM 0 HE3 MET A 60 -21.193 -20.273 16.643 1.00 13.53 H new ATOM 49 N ALA A 61 -25.056 -22.519 11.947 1.00 54.55 N ATOM 50 CA ALA A 61 -25.705 -21.504 11.101 1.00 62.14 C ATOM 51 C ALA A 61 -25.947 -20.221 11.918 1.00 32.22 C ATOM 52 O ALA A 61 -26.159 -20.294 13.130 1.00 55.00 O ATOM 53 CB ALA A 61 -27.027 -22.066 10.559 1.00 53.22 C ATOM 0 H ALA A 61 -25.715 -23.066 12.501 1.00 54.55 H new ATOM 0 HA ALA A 61 -25.059 -21.255 10.259 1.00 62.14 H new ATOM 0 HB1 ALA A 61 -27.511 -21.317 9.932 1.00 53.22 H new ATOM 0 HB2 ALA A 61 -26.827 -22.960 9.968 1.00 53.22 H new ATOM 0 HB3 ALA A 61 -27.683 -22.320 11.392 1.00 53.22 H new ATOM 59 N MET A 62 -25.902 -19.056 11.246 1.00 44.11 N ATOM 60 CA MET A 62 -26.125 -17.730 11.880 1.00 74.43 C ATOM 61 C MET A 62 -26.588 -16.698 10.828 1.00 33.04 C ATOM 62 O MET A 62 -26.491 -16.947 9.621 1.00 41.31 O ATOM 63 CB MET A 62 -24.828 -17.226 12.584 1.00 70.51 C ATOM 64 CG MET A 62 -23.668 -16.849 11.642 1.00 21.14 C ATOM 65 SD MET A 62 -23.003 -18.252 10.711 1.00 11.53 S ATOM 66 CE MET A 62 -22.047 -19.104 11.970 1.00 1.52 C ATOM 0 H MET A 62 -25.710 -19.000 10.246 1.00 44.11 H new ATOM 0 HA MET A 62 -26.906 -17.844 12.632 1.00 74.43 H new ATOM 0 HB2 MET A 62 -25.079 -16.356 13.190 1.00 70.51 H new ATOM 0 HB3 MET A 62 -24.481 -18.001 13.267 1.00 70.51 H new ATOM 0 HG2 MET A 62 -24.013 -16.089 10.941 1.00 21.14 H new ATOM 0 HG3 MET A 62 -22.866 -16.400 12.229 1.00 21.14 H new ATOM 0 HE1 MET A 62 -21.610 -20.008 11.546 1.00 1.52 H new ATOM 0 HE2 MET A 62 -21.252 -18.450 12.328 1.00 1.52 H new ATOM 0 HE3 MET A 62 -22.698 -19.372 12.802 1.00 1.52 H new ATOM 76 N LYS A 63 -27.070 -15.533 11.296 1.00 0.12 N ATOM 77 CA LYS A 63 -27.468 -14.410 10.418 1.00 63.31 C ATOM 78 C LYS A 63 -27.205 -13.056 11.130 1.00 63.22 C ATOM 79 O LYS A 63 -28.046 -12.567 11.895 1.00 54.31 O ATOM 80 CB LYS A 63 -28.955 -14.566 9.946 1.00 23.21 C ATOM 81 CG LYS A 63 -29.990 -14.844 11.068 1.00 53.00 C ATOM 82 CD LYS A 63 -31.444 -14.971 10.543 1.00 71.44 C ATOM 83 CE LYS A 63 -31.961 -13.675 9.889 1.00 24.31 C ATOM 84 NZ LYS A 63 -33.368 -13.818 9.415 1.00 14.13 N ATOM 0 H LYS A 63 -27.196 -15.340 12.290 1.00 0.12 H new ATOM 0 HA LYS A 63 -26.856 -14.427 9.516 1.00 63.31 H new ATOM 0 HB2 LYS A 63 -29.249 -13.656 9.423 1.00 23.21 H new ATOM 0 HB3 LYS A 63 -29.004 -15.379 9.222 1.00 23.21 H new ATOM 0 HG2 LYS A 63 -29.716 -15.763 11.586 1.00 53.00 H new ATOM 0 HG3 LYS A 63 -29.945 -14.039 11.802 1.00 53.00 H new ATOM 0 HD2 LYS A 63 -31.493 -15.783 9.817 1.00 71.44 H new ATOM 0 HD3 LYS A 63 -32.101 -15.242 11.369 1.00 71.44 H new ATOM 0 HE2 LYS A 63 -31.900 -12.856 10.606 1.00 24.31 H new ATOM 0 HE3 LYS A 63 -31.319 -13.411 9.049 1.00 24.31 H new ATOM 0 HZ1 LYS A 63 -33.680 -12.926 8.981 1.00 14.13 H new ATOM 0 HZ2 LYS A 63 -33.421 -14.582 8.712 1.00 14.13 H new ATOM 0 HZ3 LYS A 63 -33.984 -14.045 10.221 1.00 14.13 H new ATOM 98 N PRO A 64 -25.990 -12.443 10.919 1.00 32.11 N ATOM 99 CA PRO A 64 -25.644 -11.116 11.500 1.00 4.35 C ATOM 100 C PRO A 64 -26.335 -9.961 10.725 1.00 53.21 C ATOM 101 O PRO A 64 -26.622 -10.106 9.527 1.00 24.44 O ATOM 102 CB PRO A 64 -24.100 -11.081 11.349 1.00 73.12 C ATOM 103 CG PRO A 64 -23.822 -11.885 10.116 1.00 62.30 C ATOM 104 CD PRO A 64 -24.856 -12.998 10.112 1.00 55.54 C ATOM 0 HA PRO A 64 -25.976 -10.986 12.530 1.00 4.35 H new ATOM 0 HB2 PRO A 64 -23.735 -10.059 11.246 1.00 73.12 H new ATOM 0 HB3 PRO A 64 -23.607 -11.510 12.221 1.00 73.12 H new ATOM 0 HG2 PRO A 64 -23.905 -11.270 9.220 1.00 62.30 H new ATOM 0 HG3 PRO A 64 -22.810 -12.290 10.132 1.00 62.30 H new ATOM 0 HD2 PRO A 64 -25.171 -13.246 9.099 1.00 55.54 H new ATOM 0 HD3 PRO A 64 -24.460 -13.912 10.555 1.00 55.54 H new ATOM 112 N PRO A 65 -26.637 -8.793 11.394 1.00 4.42 N ATOM 113 CA PRO A 65 -27.286 -7.632 10.722 1.00 33.11 C ATOM 114 C PRO A 65 -26.363 -6.998 9.647 1.00 52.31 C ATOM 115 O PRO A 65 -25.175 -6.749 9.898 1.00 13.12 O ATOM 116 CB PRO A 65 -27.581 -6.655 11.892 1.00 3.24 C ATOM 117 CG PRO A 65 -26.602 -7.023 12.970 1.00 44.12 C ATOM 118 CD PRO A 65 -26.402 -8.521 12.844 1.00 34.21 C ATOM 0 HA PRO A 65 -28.186 -7.909 10.173 1.00 33.11 H new ATOM 0 HB2 PRO A 65 -27.453 -5.618 11.581 1.00 3.24 H new ATOM 0 HB3 PRO A 65 -28.608 -6.758 12.241 1.00 3.24 H new ATOM 0 HG2 PRO A 65 -25.660 -6.490 12.843 1.00 44.12 H new ATOM 0 HG3 PRO A 65 -26.987 -6.760 13.955 1.00 44.12 H new ATOM 0 HD2 PRO A 65 -25.398 -8.817 13.149 1.00 34.21 H new ATOM 0 HD3 PRO A 65 -27.102 -9.072 13.473 1.00 34.21 H new ATOM 126 N GLY A 66 -26.926 -6.768 8.456 1.00 12.00 N ATOM 127 CA GLY A 66 -26.181 -6.254 7.305 1.00 75.50 C ATOM 128 C GLY A 66 -26.833 -6.737 6.019 1.00 53.03 C ATOM 129 O GLY A 66 -27.128 -7.933 5.898 1.00 40.32 O ATOM 0 H GLY A 66 -27.914 -6.934 8.264 1.00 12.00 H new ATOM 0 HA2 GLY A 66 -26.162 -5.164 7.328 1.00 75.50 H new ATOM 0 HA3 GLY A 66 -25.146 -6.592 7.349 1.00 75.50 H new ATOM 133 N ALA A 67 -27.087 -5.813 5.080 1.00 23.32 N ATOM 134 CA ALA A 67 -27.772 -6.120 3.810 1.00 70.51 C ATOM 135 C ALA A 67 -26.831 -6.858 2.843 1.00 52.50 C ATOM 136 O ALA A 67 -27.160 -7.923 2.315 1.00 23.45 O ATOM 137 CB ALA A 67 -28.299 -4.824 3.177 1.00 43.02 C ATOM 0 H ALA A 67 -26.825 -4.832 5.177 1.00 23.32 H new ATOM 0 HA ALA A 67 -28.616 -6.778 4.017 1.00 70.51 H new ATOM 0 HB1 ALA A 67 -28.804 -5.056 2.239 1.00 43.02 H new ATOM 0 HB2 ALA A 67 -29.002 -4.346 3.859 1.00 43.02 H new ATOM 0 HB3 ALA A 67 -27.466 -4.149 2.983 1.00 43.02 H new ATOM 143 N GLN A 68 -25.647 -6.268 2.632 1.00 65.00 N ATOM 144 CA GLN A 68 -24.611 -6.789 1.713 1.00 42.24 C ATOM 145 C GLN A 68 -23.590 -7.641 2.486 1.00 13.23 C ATOM 146 O GLN A 68 -23.819 -7.996 3.657 1.00 51.22 O ATOM 147 CB GLN A 68 -23.902 -5.588 1.029 1.00 11.13 C ATOM 148 CG GLN A 68 -24.853 -4.620 0.314 1.00 51.10 C ATOM 149 CD GLN A 68 -24.157 -3.338 -0.124 1.00 53.50 C ATOM 150 OE1 GLN A 68 -23.620 -3.301 -1.326 1.00 14.13 O flip ATOM 151 NE2 GLN A 68 -24.077 -2.379 0.643 1.00 63.00 N flip ATOM 0 H GLN A 68 -25.372 -5.403 3.098 1.00 65.00 H new ATOM 0 HA GLN A 68 -25.076 -7.421 0.957 1.00 42.24 H new ATOM 0 HB2 GLN A 68 -23.339 -5.036 1.782 1.00 11.13 H new ATOM 0 HB3 GLN A 68 -23.180 -5.970 0.307 1.00 11.13 H new ATOM 0 HG2 GLN A 68 -25.281 -5.114 -0.558 1.00 51.10 H new ATOM 0 HG3 GLN A 68 -25.681 -4.372 0.978 1.00 51.10 H new ATOM 0 HE21 GLN A 68 -24.501 -2.430 1.569 1.00 63.00 H new ATOM 0 HE22 GLN A 68 -23.587 -1.533 0.352 1.00 63.00 H new ATOM 160 N GLY A 69 -22.486 -7.992 1.800 1.00 53.24 N ATOM 161 CA GLY A 69 -21.287 -8.514 2.447 1.00 33.54 C ATOM 162 C GLY A 69 -20.407 -7.387 2.965 1.00 14.21 C ATOM 163 O GLY A 69 -20.644 -6.215 2.656 1.00 5.31 O ATOM 0 H GLY A 69 -22.409 -7.919 0.786 1.00 53.24 H new ATOM 0 HA2 GLY A 69 -21.571 -9.166 3.273 1.00 33.54 H new ATOM 0 HA3 GLY A 69 -20.724 -9.123 1.739 1.00 33.54 H new ATOM 167 N SER A 70 -19.419 -7.741 3.783 1.00 14.33 N ATOM 168 CA SER A 70 -18.447 -6.790 4.366 1.00 14.24 C ATOM 169 C SER A 70 -17.305 -6.470 3.381 1.00 1.31 C ATOM 170 O SER A 70 -16.646 -5.425 3.517 1.00 12.22 O ATOM 171 CB SER A 70 -17.859 -7.396 5.663 1.00 53.52 C ATOM 172 OG SER A 70 -17.170 -8.613 5.411 1.00 22.03 O ATOM 0 H SER A 70 -19.260 -8.707 4.070 1.00 14.33 H new ATOM 0 HA SER A 70 -18.969 -5.859 4.586 1.00 14.24 H new ATOM 0 HB2 SER A 70 -17.177 -6.680 6.122 1.00 53.52 H new ATOM 0 HB3 SER A 70 -18.662 -7.574 6.378 1.00 53.52 H new ATOM 0 HG SER A 70 -17.754 -9.370 5.627 1.00 22.03 H new ATOM 178 N GLN A 71 -17.089 -7.399 2.408 1.00 11.43 N ATOM 179 CA GLN A 71 -15.948 -7.381 1.455 1.00 12.10 C ATOM 180 C GLN A 71 -14.607 -7.410 2.209 1.00 3.24 C ATOM 181 O GLN A 71 -13.589 -6.968 1.676 1.00 64.01 O ATOM 182 CB GLN A 71 -16.019 -6.156 0.478 1.00 52.32 C ATOM 183 CG GLN A 71 -17.130 -6.233 -0.593 1.00 42.22 C ATOM 184 CD GLN A 71 -18.547 -5.970 -0.074 1.00 64.14 C ATOM 185 OE1 GLN A 71 -18.754 -5.180 0.838 1.00 74.52 O ATOM 186 NE2 GLN A 71 -19.539 -6.636 -0.647 1.00 31.30 N ATOM 0 H GLN A 71 -17.714 -8.192 2.264 1.00 11.43 H new ATOM 0 HA GLN A 71 -16.019 -8.282 0.845 1.00 12.10 H new ATOM 0 HB2 GLN A 71 -16.166 -5.250 1.066 1.00 52.32 H new ATOM 0 HB3 GLN A 71 -15.057 -6.057 -0.025 1.00 52.32 H new ATOM 0 HG2 GLN A 71 -16.907 -5.511 -1.379 1.00 42.22 H new ATOM 0 HG3 GLN A 71 -17.104 -7.222 -1.051 1.00 42.22 H new ATOM 0 HE21 GLN A 71 -19.343 -7.289 -1.405 1.00 31.30 H new ATOM 0 HE22 GLN A 71 -20.498 -6.495 -0.330 1.00 31.30 H new ATOM 195 N SER A 72 -14.642 -7.982 3.441 1.00 13.44 N ATOM 196 CA SER A 72 -13.567 -7.893 4.456 1.00 74.02 C ATOM 197 C SER A 72 -12.142 -8.084 3.905 1.00 12.13 C ATOM 198 O SER A 72 -11.270 -7.312 4.238 1.00 54.51 O ATOM 199 CB SER A 72 -13.832 -8.898 5.607 1.00 42.44 C ATOM 200 OG SER A 72 -12.866 -8.780 6.649 1.00 4.53 O ATOM 0 H SER A 72 -15.440 -8.531 3.761 1.00 13.44 H new ATOM 0 HA SER A 72 -13.602 -6.869 4.827 1.00 74.02 H new ATOM 0 HB2 SER A 72 -14.828 -8.728 6.015 1.00 42.44 H new ATOM 0 HB3 SER A 72 -13.818 -9.914 5.212 1.00 42.44 H new ATOM 0 HG SER A 72 -13.067 -9.428 7.356 1.00 4.53 H new ATOM 206 N THR A 73 -11.925 -9.116 3.085 1.00 31.35 N ATOM 207 CA THR A 73 -10.629 -9.372 2.424 1.00 70.33 C ATOM 208 C THR A 73 -10.060 -8.111 1.704 1.00 52.52 C ATOM 209 O THR A 73 -8.891 -7.753 1.887 1.00 11.34 O ATOM 210 CB THR A 73 -10.751 -10.584 1.431 1.00 4.12 C ATOM 211 OG1 THR A 73 -9.511 -10.833 0.752 1.00 22.24 O ATOM 212 CG2 THR A 73 -11.880 -10.397 0.403 1.00 44.45 C ATOM 0 H THR A 73 -12.642 -9.804 2.856 1.00 31.35 H new ATOM 0 HA THR A 73 -9.914 -9.627 3.206 1.00 70.33 H new ATOM 0 HB THR A 73 -11.001 -11.450 2.044 1.00 4.12 H new ATOM 0 HG1 THR A 73 -9.618 -11.593 0.143 1.00 22.24 H new ATOM 0 HG21 THR A 73 -11.918 -11.264 -0.257 1.00 44.45 H new ATOM 0 HG22 THR A 73 -12.832 -10.294 0.923 1.00 44.45 H new ATOM 0 HG23 THR A 73 -11.690 -9.500 -0.187 1.00 44.45 H new ATOM 220 N TYR A 74 -10.911 -7.439 0.915 1.00 11.22 N ATOM 221 CA TYR A 74 -10.538 -6.244 0.154 1.00 21.21 C ATOM 222 C TYR A 74 -10.610 -4.962 1.024 1.00 53.43 C ATOM 223 O TYR A 74 -9.893 -3.988 0.770 1.00 52.10 O ATOM 224 CB TYR A 74 -11.444 -6.117 -1.101 1.00 24.13 C ATOM 225 CG TYR A 74 -11.030 -4.973 -2.029 1.00 63.02 C ATOM 226 CD1 TYR A 74 -9.706 -4.857 -2.434 1.00 65.41 C ATOM 227 CD2 TYR A 74 -11.930 -4.002 -2.471 1.00 3.24 C ATOM 228 CE1 TYR A 74 -9.297 -3.833 -3.240 1.00 43.30 C ATOM 229 CE2 TYR A 74 -11.517 -2.970 -3.294 1.00 12.34 C ATOM 230 CZ TYR A 74 -10.193 -2.894 -3.667 1.00 5.31 C ATOM 231 OH TYR A 74 -9.750 -1.873 -4.477 1.00 20.34 O ATOM 0 H TYR A 74 -11.885 -7.714 0.788 1.00 11.22 H new ATOM 0 HA TYR A 74 -9.501 -6.353 -0.165 1.00 21.21 H new ATOM 0 HB2 TYR A 74 -11.418 -7.055 -1.656 1.00 24.13 H new ATOM 0 HB3 TYR A 74 -12.475 -5.963 -0.783 1.00 24.13 H new ATOM 0 HD1 TYR A 74 -8.986 -5.591 -2.105 1.00 65.41 H new ATOM 0 HD2 TYR A 74 -12.964 -4.057 -2.166 1.00 3.24 H new ATOM 0 HE1 TYR A 74 -8.262 -3.765 -3.541 1.00 43.30 H new ATOM 0 HE2 TYR A 74 -12.225 -2.232 -3.641 1.00 12.34 H new ATOM 0 HH TYR A 74 -9.826 -2.144 -5.416 1.00 20.34 H new ATOM 241 N THR A 75 -11.474 -4.974 2.050 1.00 30.24 N ATOM 242 CA THR A 75 -11.677 -3.814 2.934 1.00 51.22 C ATOM 243 C THR A 75 -10.493 -3.667 3.914 1.00 62.31 C ATOM 244 O THR A 75 -10.082 -2.552 4.218 1.00 54.21 O ATOM 245 CB THR A 75 -13.029 -3.940 3.701 1.00 13.51 C ATOM 246 OG1 THR A 75 -14.075 -4.196 2.755 1.00 63.34 O ATOM 247 CG2 THR A 75 -13.369 -2.669 4.507 1.00 60.35 C ATOM 0 H THR A 75 -12.049 -5.782 2.290 1.00 30.24 H new ATOM 0 HA THR A 75 -11.721 -2.914 2.321 1.00 51.22 H new ATOM 0 HB THR A 75 -12.935 -4.760 4.412 1.00 13.51 H new ATOM 0 HG1 THR A 75 -14.837 -4.608 3.213 1.00 63.34 H new ATOM 0 HG21 THR A 75 -14.319 -2.808 5.022 1.00 60.35 H new ATOM 0 HG22 THR A 75 -12.583 -2.481 5.239 1.00 60.35 H new ATOM 0 HG23 THR A 75 -13.445 -1.818 3.830 1.00 60.35 H new ATOM 255 N ASP A 76 -9.952 -4.810 4.383 1.00 52.31 N ATOM 256 CA ASP A 76 -8.723 -4.862 5.214 1.00 44.41 C ATOM 257 C ASP A 76 -7.562 -4.161 4.514 1.00 44.31 C ATOM 258 O ASP A 76 -6.736 -3.546 5.171 1.00 52.52 O ATOM 259 CB ASP A 76 -8.282 -6.318 5.566 1.00 70.50 C ATOM 260 CG ASP A 76 -9.231 -7.073 6.512 1.00 35.04 C ATOM 261 OD1 ASP A 76 -9.966 -6.431 7.293 1.00 21.24 O ATOM 262 OD2 ASP A 76 -9.217 -8.315 6.505 1.00 11.14 O ATOM 0 H ASP A 76 -10.354 -5.729 4.197 1.00 52.31 H new ATOM 0 HA ASP A 76 -8.975 -4.349 6.142 1.00 44.41 H new ATOM 0 HB2 ASP A 76 -8.187 -6.887 4.641 1.00 70.50 H new ATOM 0 HB3 ASP A 76 -7.292 -6.282 6.021 1.00 70.50 H new ATOM 267 N LEU A 77 -7.528 -4.270 3.164 1.00 63.25 N ATOM 268 CA LEU A 77 -6.530 -3.596 2.319 1.00 1.51 C ATOM 269 C LEU A 77 -6.585 -2.068 2.505 1.00 10.25 C ATOM 270 O LEU A 77 -5.546 -1.437 2.607 1.00 64.22 O ATOM 271 CB LEU A 77 -6.744 -3.975 0.837 1.00 34.12 C ATOM 272 CG LEU A 77 -5.800 -3.291 -0.198 1.00 74.50 C ATOM 273 CD1 LEU A 77 -4.325 -3.604 0.086 1.00 10.22 C ATOM 274 CD2 LEU A 77 -6.185 -3.686 -1.626 1.00 20.25 C ATOM 0 H LEU A 77 -8.196 -4.831 2.635 1.00 63.25 H new ATOM 0 HA LEU A 77 -5.539 -3.931 2.626 1.00 1.51 H new ATOM 0 HB2 LEU A 77 -6.631 -5.055 0.741 1.00 34.12 H new ATOM 0 HB3 LEU A 77 -7.774 -3.738 0.569 1.00 34.12 H new ATOM 0 HG LEU A 77 -5.925 -2.213 -0.098 1.00 74.50 H new ATOM 0 HD11 LEU A 77 -3.699 -3.110 -0.657 1.00 10.22 H new ATOM 0 HD12 LEU A 77 -4.062 -3.244 1.081 1.00 10.22 H new ATOM 0 HD13 LEU A 77 -4.165 -4.681 0.036 1.00 10.22 H new ATOM 0 HD21 LEU A 77 -5.514 -3.198 -2.332 1.00 20.25 H new ATOM 0 HD22 LEU A 77 -6.106 -4.767 -1.738 1.00 20.25 H new ATOM 0 HD23 LEU A 77 -7.210 -3.375 -1.826 1.00 20.25 H new ATOM 286 N LEU A 78 -7.812 -1.504 2.590 1.00 3.23 N ATOM 287 CA LEU A 78 -8.029 -0.058 2.849 1.00 73.30 C ATOM 288 C LEU A 78 -7.363 0.348 4.187 1.00 35.33 C ATOM 289 O LEU A 78 -6.703 1.390 4.274 1.00 20.04 O ATOM 290 CB LEU A 78 -9.553 0.260 2.872 1.00 70.41 C ATOM 291 CG LEU A 78 -9.948 1.772 2.893 1.00 2.53 C ATOM 292 CD1 LEU A 78 -9.564 2.474 1.569 1.00 31.54 C ATOM 293 CD2 LEU A 78 -11.445 1.957 3.221 1.00 50.21 C ATOM 0 H LEU A 78 -8.677 -2.034 2.482 1.00 3.23 H new ATOM 0 HA LEU A 78 -7.570 0.520 2.047 1.00 73.30 H new ATOM 0 HB2 LEU A 78 -10.011 -0.200 1.997 1.00 70.41 H new ATOM 0 HB3 LEU A 78 -9.989 -0.219 3.749 1.00 70.41 H new ATOM 0 HG LEU A 78 -9.379 2.250 3.690 1.00 2.53 H new ATOM 0 HD11 LEU A 78 -9.853 3.524 1.617 1.00 31.54 H new ATOM 0 HD12 LEU A 78 -8.487 2.400 1.417 1.00 31.54 H new ATOM 0 HD13 LEU A 78 -10.081 1.993 0.739 1.00 31.54 H new ATOM 0 HD21 LEU A 78 -11.687 3.020 3.228 1.00 50.21 H new ATOM 0 HD22 LEU A 78 -12.048 1.452 2.466 1.00 50.21 H new ATOM 0 HD23 LEU A 78 -11.658 1.530 4.201 1.00 50.21 H new ATOM 305 N SER A 79 -7.493 -0.540 5.202 1.00 54.35 N ATOM 306 CA SER A 79 -6.838 -0.368 6.511 1.00 22.01 C ATOM 307 C SER A 79 -5.302 -0.474 6.391 1.00 10.24 C ATOM 308 O SER A 79 -4.595 0.349 6.958 1.00 41.13 O ATOM 309 CB SER A 79 -7.362 -1.400 7.529 1.00 23.12 C ATOM 310 OG SER A 79 -8.748 -1.243 7.750 1.00 33.30 O ATOM 0 H SER A 79 -8.053 -1.390 5.132 1.00 54.35 H new ATOM 0 HA SER A 79 -7.084 0.632 6.868 1.00 22.01 H new ATOM 0 HB2 SER A 79 -7.161 -2.408 7.165 1.00 23.12 H new ATOM 0 HB3 SER A 79 -6.826 -1.289 8.472 1.00 23.12 H new ATOM 0 HG SER A 79 -9.054 -1.911 8.398 1.00 33.30 H new ATOM 316 N VAL A 80 -4.812 -1.454 5.594 1.00 41.11 N ATOM 317 CA VAL A 80 -3.363 -1.688 5.397 1.00 11.35 C ATOM 318 C VAL A 80 -2.691 -0.408 4.871 1.00 71.22 C ATOM 319 O VAL A 80 -1.676 0.029 5.413 1.00 63.03 O ATOM 320 CB VAL A 80 -3.078 -2.878 4.389 1.00 15.33 C ATOM 321 CG1 VAL A 80 -1.568 -3.061 4.130 1.00 33.22 C ATOM 322 CG2 VAL A 80 -3.690 -4.209 4.874 1.00 63.43 C ATOM 0 H VAL A 80 -5.406 -2.100 5.074 1.00 41.11 H new ATOM 0 HA VAL A 80 -2.948 -1.963 6.367 1.00 11.35 H new ATOM 0 HB VAL A 80 -3.560 -2.602 3.451 1.00 15.33 H new ATOM 0 HG11 VAL A 80 -1.416 -3.886 3.434 1.00 33.22 H new ATOM 0 HG12 VAL A 80 -1.159 -2.146 3.703 1.00 33.22 H new ATOM 0 HG13 VAL A 80 -1.062 -3.281 5.070 1.00 33.22 H new ATOM 0 HG21 VAL A 80 -3.469 -4.995 4.152 1.00 63.43 H new ATOM 0 HG22 VAL A 80 -3.263 -4.474 5.841 1.00 63.43 H new ATOM 0 HG23 VAL A 80 -4.770 -4.099 4.972 1.00 63.43 H new ATOM 332 N ILE A 81 -3.321 0.195 3.844 1.00 70.11 N ATOM 333 CA ILE A 81 -2.822 1.405 3.171 1.00 65.43 C ATOM 334 C ILE A 81 -2.619 2.569 4.168 1.00 12.32 C ATOM 335 O ILE A 81 -1.539 3.165 4.218 1.00 54.52 O ATOM 336 CB ILE A 81 -3.774 1.842 1.984 1.00 33.52 C ATOM 337 CG1 ILE A 81 -3.979 0.680 0.951 1.00 41.44 C ATOM 338 CG2 ILE A 81 -3.244 3.101 1.275 1.00 12.04 C ATOM 339 CD1 ILE A 81 -2.703 0.062 0.383 1.00 52.30 C ATOM 0 H ILE A 81 -4.199 -0.150 3.456 1.00 70.11 H new ATOM 0 HA ILE A 81 -1.849 1.156 2.747 1.00 65.43 H new ATOM 0 HB ILE A 81 -4.743 2.079 2.423 1.00 33.52 H new ATOM 0 HG12 ILE A 81 -4.560 -0.108 1.430 1.00 41.44 H new ATOM 0 HG13 ILE A 81 -4.577 1.058 0.122 1.00 41.44 H new ATOM 0 HG21 ILE A 81 -3.920 3.375 0.465 1.00 12.04 H new ATOM 0 HG22 ILE A 81 -3.182 3.922 1.989 1.00 12.04 H new ATOM 0 HG23 ILE A 81 -2.253 2.899 0.868 1.00 12.04 H new ATOM 0 HD11 ILE A 81 -2.964 -0.730 -0.319 1.00 52.30 H new ATOM 0 HD12 ILE A 81 -2.126 0.829 -0.133 1.00 52.30 H new ATOM 0 HD13 ILE A 81 -2.108 -0.355 1.195 1.00 52.30 H new ATOM 351 N GLU A 82 -3.641 2.841 5.005 1.00 12.53 N ATOM 352 CA GLU A 82 -3.603 3.976 5.959 1.00 2.54 C ATOM 353 C GLU A 82 -2.664 3.695 7.163 1.00 32.22 C ATOM 354 O GLU A 82 -2.051 4.628 7.700 1.00 60.42 O ATOM 355 CB GLU A 82 -5.030 4.341 6.453 1.00 0.03 C ATOM 356 CG GLU A 82 -5.707 3.269 7.334 1.00 60.01 C ATOM 357 CD GLU A 82 -7.128 3.650 7.779 1.00 1.00 C ATOM 358 OE1 GLU A 82 -7.268 4.573 8.606 1.00 75.12 O ATOM 359 OE2 GLU A 82 -8.110 3.031 7.310 1.00 73.23 O ATOM 0 H GLU A 82 -4.501 2.294 5.042 1.00 12.53 H new ATOM 0 HA GLU A 82 -3.196 4.830 5.418 1.00 2.54 H new ATOM 0 HB2 GLU A 82 -4.976 5.273 7.016 1.00 0.03 H new ATOM 0 HB3 GLU A 82 -5.662 4.529 5.585 1.00 0.03 H new ATOM 0 HG2 GLU A 82 -5.747 2.329 6.783 1.00 60.01 H new ATOM 0 HG3 GLU A 82 -5.093 3.095 8.217 1.00 60.01 H new ATOM 366 N GLU A 83 -2.544 2.401 7.562 1.00 53.51 N ATOM 367 CA GLU A 83 -1.664 1.975 8.684 1.00 34.41 C ATOM 368 C GLU A 83 -0.192 2.131 8.294 1.00 30.11 C ATOM 369 O GLU A 83 0.635 2.572 9.100 1.00 44.24 O ATOM 370 CB GLU A 83 -1.963 0.516 9.117 1.00 33.34 C ATOM 371 CG GLU A 83 -3.342 0.336 9.773 1.00 54.44 C ATOM 372 CD GLU A 83 -3.628 -1.111 10.200 1.00 11.22 C ATOM 373 OE1 GLU A 83 -3.281 -1.488 11.342 1.00 71.13 O ATOM 374 OE2 GLU A 83 -4.190 -1.889 9.395 1.00 61.55 O ATOM 0 H GLU A 83 -3.048 1.632 7.121 1.00 53.51 H new ATOM 0 HA GLU A 83 -1.872 2.621 9.537 1.00 34.41 H new ATOM 0 HB2 GLU A 83 -1.898 -0.133 8.244 1.00 33.34 H new ATOM 0 HB3 GLU A 83 -1.193 0.189 9.815 1.00 33.34 H new ATOM 0 HG2 GLU A 83 -3.409 0.985 10.646 1.00 54.44 H new ATOM 0 HG3 GLU A 83 -4.114 0.661 9.075 1.00 54.44 H new ATOM 381 N MET A 84 0.110 1.774 7.043 1.00 14.43 N ATOM 382 CA MET A 84 1.415 2.025 6.427 1.00 13.22 C ATOM 383 C MET A 84 1.654 3.533 6.290 1.00 3.54 C ATOM 384 O MET A 84 2.751 4.015 6.569 1.00 71.13 O ATOM 385 CB MET A 84 1.487 1.323 5.044 1.00 61.12 C ATOM 386 CG MET A 84 1.474 -0.210 5.124 1.00 22.04 C ATOM 387 SD MET A 84 1.714 -1.002 3.529 1.00 70.01 S ATOM 388 CE MET A 84 0.407 -0.292 2.531 1.00 62.41 C ATOM 0 H MET A 84 -0.549 1.300 6.425 1.00 14.43 H new ATOM 0 HA MET A 84 2.199 1.615 7.064 1.00 13.22 H new ATOM 0 HB2 MET A 84 0.645 1.653 4.436 1.00 61.12 H new ATOM 0 HB3 MET A 84 2.394 1.643 4.532 1.00 61.12 H new ATOM 0 HG2 MET A 84 2.257 -0.539 5.807 1.00 22.04 H new ATOM 0 HG3 MET A 84 0.524 -0.538 5.546 1.00 22.04 H new ATOM 0 HE1 MET A 84 0.243 -0.913 1.650 1.00 62.41 H new ATOM 0 HE2 MET A 84 -0.511 -0.243 3.116 1.00 62.41 H new ATOM 0 HE3 MET A 84 0.693 0.712 2.219 1.00 62.41 H new ATOM 398 N GLY A 85 0.574 4.247 5.917 1.00 52.43 N ATOM 399 CA GLY A 85 0.595 5.686 5.662 1.00 24.34 C ATOM 400 C GLY A 85 1.059 6.524 6.841 1.00 23.41 C ATOM 401 O GLY A 85 1.817 7.484 6.666 1.00 41.12 O ATOM 0 H GLY A 85 -0.346 3.827 5.785 1.00 52.43 H new ATOM 0 HA2 GLY A 85 1.248 5.883 4.812 1.00 24.34 H new ATOM 0 HA3 GLY A 85 -0.406 6.007 5.375 1.00 24.34 H new ATOM 405 N LYS A 86 0.647 6.135 8.057 1.00 14.22 N ATOM 406 CA LYS A 86 1.032 6.853 9.286 1.00 63.42 C ATOM 407 C LYS A 86 2.444 6.436 9.731 1.00 4.41 C ATOM 408 O LYS A 86 3.203 7.254 10.262 1.00 43.42 O ATOM 409 CB LYS A 86 -0.010 6.613 10.413 1.00 61.01 C ATOM 410 CG LYS A 86 -0.226 5.138 10.798 1.00 63.32 C ATOM 411 CD LYS A 86 -1.320 4.948 11.874 1.00 33.42 C ATOM 412 CE LYS A 86 -1.501 3.474 12.281 1.00 15.33 C ATOM 413 NZ LYS A 86 -0.255 2.892 12.851 1.00 31.10 N ATOM 0 H LYS A 86 0.046 5.326 8.218 1.00 14.22 H new ATOM 0 HA LYS A 86 1.048 7.922 9.074 1.00 63.42 H new ATOM 0 HB2 LYS A 86 0.305 7.162 11.301 1.00 61.01 H new ATOM 0 HB3 LYS A 86 -0.965 7.034 10.099 1.00 61.01 H new ATOM 0 HG2 LYS A 86 -0.498 4.572 9.907 1.00 63.32 H new ATOM 0 HG3 LYS A 86 0.713 4.723 11.165 1.00 63.32 H new ATOM 0 HD2 LYS A 86 -1.063 5.536 12.755 1.00 33.42 H new ATOM 0 HD3 LYS A 86 -2.266 5.336 11.497 1.00 33.42 H new ATOM 0 HE2 LYS A 86 -2.304 3.397 13.014 1.00 15.33 H new ATOM 0 HE3 LYS A 86 -1.806 2.893 11.411 1.00 15.33 H new ATOM 0 HZ1 LYS A 86 -0.497 2.254 13.636 1.00 31.10 H new ATOM 0 HZ2 LYS A 86 0.248 2.358 12.114 1.00 31.10 H new ATOM 0 HZ3 LYS A 86 0.356 3.657 13.202 1.00 31.10 H new ATOM 427 N GLU A 87 2.815 5.161 9.446 1.00 52.21 N ATOM 428 CA GLU A 87 4.108 4.587 9.858 1.00 33.51 C ATOM 429 C GLU A 87 5.223 4.875 8.831 1.00 24.25 C ATOM 430 O GLU A 87 6.347 4.396 8.990 1.00 45.43 O ATOM 431 CB GLU A 87 3.965 3.071 10.157 1.00 40.52 C ATOM 432 CG GLU A 87 3.018 2.769 11.342 1.00 15.22 C ATOM 433 CD GLU A 87 2.981 1.289 11.753 1.00 34.11 C ATOM 434 OE1 GLU A 87 2.791 0.430 10.876 1.00 3.41 O ATOM 435 OE2 GLU A 87 3.120 0.985 12.962 1.00 12.44 O ATOM 0 H GLU A 87 2.225 4.511 8.927 1.00 52.21 H new ATOM 0 HA GLU A 87 4.411 5.079 10.782 1.00 33.51 H new ATOM 0 HB2 GLU A 87 3.594 2.565 9.266 1.00 40.52 H new ATOM 0 HB3 GLU A 87 4.949 2.656 10.372 1.00 40.52 H new ATOM 0 HG2 GLU A 87 3.326 3.366 12.201 1.00 15.22 H new ATOM 0 HG3 GLU A 87 2.010 3.087 11.078 1.00 15.22 H new ATOM 442 N ILE A 88 4.909 5.684 7.798 1.00 11.52 N ATOM 443 CA ILE A 88 5.917 6.285 6.904 1.00 43.42 C ATOM 444 C ILE A 88 6.836 7.237 7.701 1.00 25.31 C ATOM 445 O ILE A 88 8.052 7.241 7.495 1.00 75.04 O ATOM 446 CB ILE A 88 5.223 7.067 5.728 1.00 14.42 C ATOM 447 CG1 ILE A 88 4.392 6.087 4.851 1.00 1.43 C ATOM 448 CG2 ILE A 88 6.242 7.864 4.869 1.00 34.23 C ATOM 449 CD1 ILE A 88 3.616 6.742 3.731 1.00 22.12 C ATOM 0 H ILE A 88 3.950 5.938 7.561 1.00 11.52 H new ATOM 0 HA ILE A 88 6.519 5.482 6.478 1.00 43.42 H new ATOM 0 HB ILE A 88 4.549 7.801 6.170 1.00 14.42 H new ATOM 0 HG12 ILE A 88 5.065 5.345 4.422 1.00 1.43 H new ATOM 0 HG13 ILE A 88 3.693 5.550 5.493 1.00 1.43 H new ATOM 0 HG21 ILE A 88 5.715 8.386 4.071 1.00 34.23 H new ATOM 0 HG22 ILE A 88 6.759 8.589 5.497 1.00 34.23 H new ATOM 0 HG23 ILE A 88 6.968 7.177 4.435 1.00 34.23 H new ATOM 0 HD11 ILE A 88 3.068 5.981 3.175 1.00 22.12 H new ATOM 0 HD12 ILE A 88 2.913 7.463 4.148 1.00 22.12 H new ATOM 0 HD13 ILE A 88 4.306 7.254 3.061 1.00 22.12 H new ATOM 461 N ARG A 89 6.225 8.029 8.623 1.00 61.52 N ATOM 462 CA ARG A 89 6.951 9.038 9.423 1.00 64.24 C ATOM 463 C ARG A 89 8.046 8.382 10.328 1.00 51.45 C ATOM 464 O ARG A 89 9.217 8.771 10.201 1.00 14.22 O ATOM 465 CB ARG A 89 5.991 9.941 10.260 1.00 12.11 C ATOM 466 CG ARG A 89 4.956 10.732 9.440 1.00 73.22 C ATOM 467 CD ARG A 89 4.138 11.693 10.318 1.00 10.32 C ATOM 468 NE ARG A 89 4.997 12.673 11.014 1.00 33.23 N ATOM 469 CZ ARG A 89 4.652 13.396 12.095 1.00 4.22 C ATOM 470 NH1 ARG A 89 3.445 13.273 12.656 1.00 31.54 N ATOM 471 NH2 ARG A 89 5.540 14.238 12.618 1.00 33.42 N ATOM 0 H ARG A 89 5.227 7.983 8.827 1.00 61.52 H new ATOM 0 HA ARG A 89 7.456 9.689 8.710 1.00 64.24 H new ATOM 0 HB2 ARG A 89 5.461 9.314 10.977 1.00 12.11 H new ATOM 0 HB3 ARG A 89 6.591 10.646 10.836 1.00 12.11 H new ATOM 0 HG2 ARG A 89 5.467 11.298 8.661 1.00 73.22 H new ATOM 0 HG3 ARG A 89 4.283 10.037 8.939 1.00 73.22 H new ATOM 0 HD2 ARG A 89 3.413 12.221 9.699 1.00 10.32 H new ATOM 0 HD3 ARG A 89 3.572 11.120 11.053 1.00 10.32 H new ATOM 0 HE ARG A 89 5.936 12.814 10.642 1.00 33.23 H new ATOM 0 HH11 ARG A 89 2.765 12.621 12.265 1.00 31.54 H new ATOM 0 HH12 ARG A 89 3.204 13.831 13.475 1.00 31.54 H new ATOM 0 HH21 ARG A 89 6.466 14.328 12.199 1.00 33.42 H new ATOM 0 HH22 ARG A 89 5.295 14.794 13.437 1.00 33.42 H new ATOM 485 N PRO A 90 7.712 7.391 11.258 1.00 11.20 N ATOM 486 CA PRO A 90 8.744 6.700 12.082 1.00 74.11 C ATOM 487 C PRO A 90 9.791 5.932 11.240 1.00 42.35 C ATOM 488 O PRO A 90 10.963 5.916 11.609 1.00 72.13 O ATOM 489 CB PRO A 90 7.930 5.761 13.021 1.00 23.10 C ATOM 490 CG PRO A 90 6.588 5.633 12.379 1.00 4.21 C ATOM 491 CD PRO A 90 6.350 6.928 11.641 1.00 20.12 C ATOM 0 HA PRO A 90 9.350 7.415 12.638 1.00 74.11 H new ATOM 0 HB2 PRO A 90 8.413 4.789 13.121 1.00 23.10 H new ATOM 0 HB3 PRO A 90 7.848 6.181 14.024 1.00 23.10 H new ATOM 0 HG2 PRO A 90 6.563 4.785 11.695 1.00 4.21 H new ATOM 0 HG3 PRO A 90 5.813 5.463 13.127 1.00 4.21 H new ATOM 0 HD2 PRO A 90 5.721 6.776 10.764 1.00 20.12 H new ATOM 0 HD3 PRO A 90 5.845 7.659 12.273 1.00 20.12 H new ATOM 499 N THR A 91 9.370 5.312 10.105 1.00 55.33 N ATOM 500 CA THR A 91 10.306 4.663 9.147 1.00 12.32 C ATOM 501 C THR A 91 11.351 5.678 8.638 1.00 33.25 C ATOM 502 O THR A 91 12.563 5.422 8.661 1.00 52.33 O ATOM 503 CB THR A 91 9.533 4.047 7.935 1.00 33.13 C ATOM 504 OG1 THR A 91 8.696 2.989 8.403 1.00 54.02 O ATOM 505 CG2 THR A 91 10.471 3.508 6.831 1.00 71.12 C ATOM 0 H THR A 91 8.389 5.248 9.831 1.00 55.33 H new ATOM 0 HA THR A 91 10.818 3.859 9.676 1.00 12.32 H new ATOM 0 HB THR A 91 8.941 4.846 7.489 1.00 33.13 H new ATOM 0 HG1 THR A 91 7.825 3.353 8.666 1.00 54.02 H new ATOM 0 HG21 THR A 91 9.875 3.094 6.018 1.00 71.12 H new ATOM 0 HG22 THR A 91 11.089 4.321 6.450 1.00 71.12 H new ATOM 0 HG23 THR A 91 11.111 2.729 7.246 1.00 71.12 H new ATOM 513 N TYR A 92 10.839 6.842 8.220 1.00 2.24 N ATOM 514 CA TYR A 92 11.636 7.982 7.760 1.00 73.02 C ATOM 515 C TYR A 92 12.538 8.536 8.888 1.00 3.12 C ATOM 516 O TYR A 92 13.590 9.127 8.621 1.00 4.32 O ATOM 517 CB TYR A 92 10.680 9.082 7.207 1.00 10.01 C ATOM 518 CG TYR A 92 11.400 10.306 6.649 1.00 62.30 C ATOM 519 CD1 TYR A 92 12.276 10.176 5.578 1.00 2.31 C ATOM 520 CD2 TYR A 92 11.253 11.573 7.219 1.00 71.30 C ATOM 521 CE1 TYR A 92 12.962 11.249 5.094 1.00 42.41 C ATOM 522 CE2 TYR A 92 11.959 12.652 6.736 1.00 21.31 C ATOM 523 CZ TYR A 92 12.813 12.483 5.679 1.00 21.25 C ATOM 524 OH TYR A 92 13.554 13.548 5.219 1.00 40.23 O ATOM 0 H TYR A 92 9.835 7.020 8.192 1.00 2.24 H new ATOM 0 HA TYR A 92 12.301 7.651 6.962 1.00 73.02 H new ATOM 0 HB2 TYR A 92 10.060 8.649 6.422 1.00 10.01 H new ATOM 0 HB3 TYR A 92 10.009 9.400 8.005 1.00 10.01 H new ATOM 0 HD1 TYR A 92 12.415 9.207 5.121 1.00 2.31 H new ATOM 0 HD2 TYR A 92 10.576 11.708 8.050 1.00 71.30 H new ATOM 0 HE1 TYR A 92 13.624 11.129 4.249 1.00 42.41 H new ATOM 0 HE2 TYR A 92 11.840 13.626 7.188 1.00 21.31 H new ATOM 0 HH TYR A 92 13.331 14.350 5.737 1.00 40.23 H new ATOM 534 N ALA A 93 12.117 8.327 10.144 1.00 32.41 N ATOM 535 CA ALA A 93 12.856 8.761 11.341 1.00 12.30 C ATOM 536 C ALA A 93 13.800 7.655 11.866 1.00 11.33 C ATOM 537 O ALA A 93 14.343 7.762 12.977 1.00 45.51 O ATOM 538 CB ALA A 93 11.844 9.195 12.407 1.00 64.12 C ATOM 0 H ALA A 93 11.244 7.846 10.361 1.00 32.41 H new ATOM 0 HA ALA A 93 13.496 9.605 11.083 1.00 12.30 H new ATOM 0 HB1 ALA A 93 12.375 9.520 13.302 1.00 64.12 H new ATOM 0 HB2 ALA A 93 11.242 10.018 12.023 1.00 64.12 H new ATOM 0 HB3 ALA A 93 11.195 8.356 12.655 1.00 64.12 H new ATOM 544 N GLY A 94 13.987 6.591 11.056 1.00 42.43 N ATOM 545 CA GLY A 94 14.980 5.539 11.331 1.00 13.30 C ATOM 546 C GLY A 94 14.501 4.421 12.249 1.00 12.43 C ATOM 547 O GLY A 94 15.315 3.601 12.679 1.00 62.35 O ATOM 0 H GLY A 94 13.455 6.441 10.199 1.00 42.43 H new ATOM 0 HA2 GLY A 94 15.294 5.101 10.384 1.00 13.30 H new ATOM 0 HA3 GLY A 94 15.862 6.001 11.776 1.00 13.30 H new ATOM 551 N SER A 95 13.197 4.384 12.551 1.00 65.23 N ATOM 552 CA SER A 95 12.586 3.301 13.347 1.00 20.25 C ATOM 553 C SER A 95 12.265 2.071 12.465 1.00 52.41 C ATOM 554 O SER A 95 11.329 2.103 11.647 1.00 35.22 O ATOM 555 CB SER A 95 11.307 3.821 14.033 1.00 32.21 C ATOM 556 OG SER A 95 11.578 4.968 14.812 1.00 30.14 O ATOM 0 H SER A 95 12.534 5.100 12.254 1.00 65.23 H new ATOM 0 HA SER A 95 13.300 2.985 14.108 1.00 20.25 H new ATOM 0 HB2 SER A 95 10.557 4.059 13.279 1.00 32.21 H new ATOM 0 HB3 SER A 95 10.886 3.039 14.665 1.00 32.21 H new ATOM 0 HG SER A 95 10.751 5.279 15.235 1.00 30.14 H new ATOM 562 N LYS A 96 13.079 1.004 12.640 1.00 74.11 N ATOM 563 CA LYS A 96 12.932 -0.281 11.927 1.00 32.23 C ATOM 564 C LYS A 96 11.658 -1.038 12.322 1.00 61.34 C ATOM 565 O LYS A 96 11.242 -1.939 11.588 1.00 13.02 O ATOM 566 CB LYS A 96 14.187 -1.174 12.115 1.00 54.42 C ATOM 567 CG LYS A 96 14.414 -1.723 13.537 1.00 35.43 C ATOM 568 CD LYS A 96 15.702 -2.577 13.632 1.00 2.33 C ATOM 569 CE LYS A 96 15.822 -3.302 14.979 1.00 34.11 C ATOM 570 NZ LYS A 96 14.719 -4.281 15.184 1.00 21.51 N ATOM 0 H LYS A 96 13.866 1.014 13.289 1.00 74.11 H new ATOM 0 HA LYS A 96 12.837 -0.037 10.869 1.00 32.23 H new ATOM 0 HB2 LYS A 96 14.116 -2.017 11.428 1.00 54.42 H new ATOM 0 HB3 LYS A 96 15.066 -0.599 11.824 1.00 54.42 H new ATOM 0 HG2 LYS A 96 14.477 -0.892 14.240 1.00 35.43 H new ATOM 0 HG3 LYS A 96 13.556 -2.327 13.833 1.00 35.43 H new ATOM 0 HD2 LYS A 96 15.709 -3.310 12.825 1.00 2.33 H new ATOM 0 HD3 LYS A 96 16.572 -1.936 13.488 1.00 2.33 H new ATOM 0 HE2 LYS A 96 16.780 -3.819 15.029 1.00 34.11 H new ATOM 0 HE3 LYS A 96 15.813 -2.570 15.787 1.00 34.11 H new ATOM 0 HZ1 LYS A 96 14.972 -4.932 15.954 1.00 21.51 H new ATOM 0 HZ2 LYS A 96 13.846 -3.773 15.432 1.00 21.51 H new ATOM 0 HZ3 LYS A 96 14.568 -4.822 14.309 1.00 21.51 H new ATOM 584 N SER A 97 11.065 -0.705 13.496 1.00 24.45 N ATOM 585 CA SER A 97 9.768 -1.270 13.923 1.00 10.10 C ATOM 586 C SER A 97 8.691 -0.987 12.863 1.00 23.52 C ATOM 587 O SER A 97 8.090 -1.912 12.321 1.00 20.22 O ATOM 588 CB SER A 97 9.315 -0.691 15.289 1.00 2.32 C ATOM 589 OG SER A 97 10.288 -0.915 16.294 1.00 42.44 O ATOM 0 H SER A 97 11.469 -0.046 14.162 1.00 24.45 H new ATOM 0 HA SER A 97 9.900 -2.346 14.035 1.00 10.10 H new ATOM 0 HB2 SER A 97 9.132 0.379 15.190 1.00 2.32 H new ATOM 0 HB3 SER A 97 8.372 -1.149 15.585 1.00 2.32 H new ATOM 0 HG SER A 97 9.975 -0.538 17.142 1.00 42.44 H new ATOM 595 N ALA A 98 8.533 0.316 12.537 1.00 52.33 N ATOM 596 CA ALA A 98 7.576 0.799 11.540 1.00 72.20 C ATOM 597 C ALA A 98 7.929 0.279 10.147 1.00 52.21 C ATOM 598 O ALA A 98 7.043 -0.120 9.407 1.00 33.14 O ATOM 599 CB ALA A 98 7.544 2.324 11.530 1.00 13.41 C ATOM 0 H ALA A 98 9.077 1.063 12.969 1.00 52.33 H new ATOM 0 HA ALA A 98 6.590 0.423 11.811 1.00 72.20 H new ATOM 0 HB1 ALA A 98 6.828 2.668 10.784 1.00 13.41 H new ATOM 0 HB2 ALA A 98 7.246 2.688 12.513 1.00 13.41 H new ATOM 0 HB3 ALA A 98 8.535 2.707 11.286 1.00 13.41 H new ATOM 605 N MET A 99 9.244 0.284 9.825 1.00 1.15 N ATOM 606 CA MET A 99 9.778 -0.128 8.509 1.00 21.22 C ATOM 607 C MET A 99 9.485 -1.611 8.201 1.00 72.53 C ATOM 608 O MET A 99 9.155 -1.954 7.067 1.00 33.51 O ATOM 609 CB MET A 99 11.303 0.169 8.459 1.00 41.34 C ATOM 610 CG MET A 99 12.017 -0.189 7.132 1.00 11.34 C ATOM 611 SD MET A 99 12.399 -1.949 6.965 1.00 71.31 S ATOM 612 CE MET A 99 13.534 -2.196 8.328 1.00 43.13 C ATOM 0 H MET A 99 9.970 0.577 10.479 1.00 1.15 H new ATOM 0 HA MET A 99 9.272 0.450 7.735 1.00 21.22 H new ATOM 0 HB2 MET A 99 11.454 1.230 8.656 1.00 41.34 H new ATOM 0 HB3 MET A 99 11.787 -0.377 9.269 1.00 41.34 H new ATOM 0 HG2 MET A 99 11.388 0.118 6.297 1.00 11.34 H new ATOM 0 HG3 MET A 99 12.942 0.383 7.061 1.00 11.34 H new ATOM 0 HE1 MET A 99 14.192 -3.036 8.106 1.00 43.13 H new ATOM 0 HE2 MET A 99 14.131 -1.296 8.472 1.00 43.13 H new ATOM 0 HE3 MET A 99 12.971 -2.406 9.237 1.00 43.13 H new ATOM 622 N GLU A 100 9.582 -2.462 9.236 1.00 45.02 N ATOM 623 CA GLU A 100 9.321 -3.914 9.128 1.00 15.21 C ATOM 624 C GLU A 100 7.811 -4.170 8.932 1.00 13.40 C ATOM 625 O GLU A 100 7.419 -5.034 8.147 1.00 24.25 O ATOM 626 CB GLU A 100 9.857 -4.643 10.392 1.00 72.41 C ATOM 627 CG GLU A 100 9.726 -6.175 10.348 1.00 65.23 C ATOM 628 CD GLU A 100 10.273 -6.850 11.610 1.00 12.43 C ATOM 629 OE1 GLU A 100 11.508 -6.990 11.731 1.00 24.34 O ATOM 630 OE2 GLU A 100 9.477 -7.234 12.492 1.00 34.22 O ATOM 0 H GLU A 100 9.844 -2.165 10.176 1.00 45.02 H new ATOM 0 HA GLU A 100 9.844 -4.311 8.258 1.00 15.21 H new ATOM 0 HB2 GLU A 100 10.907 -4.384 10.527 1.00 72.41 H new ATOM 0 HB3 GLU A 100 9.322 -4.270 11.265 1.00 72.41 H new ATOM 0 HG2 GLU A 100 8.677 -6.443 10.223 1.00 65.23 H new ATOM 0 HG3 GLU A 100 10.258 -6.557 9.477 1.00 65.23 H new ATOM 637 N ARG A 101 6.995 -3.355 9.625 1.00 32.12 N ATOM 638 CA ARG A 101 5.520 -3.386 9.509 1.00 70.11 C ATOM 639 C ARG A 101 5.073 -2.819 8.152 1.00 54.11 C ATOM 640 O ARG A 101 4.033 -3.189 7.624 1.00 52.31 O ATOM 641 CB ARG A 101 4.861 -2.548 10.628 1.00 70.24 C ATOM 642 CG ARG A 101 5.164 -3.010 12.068 1.00 5.11 C ATOM 643 CD ARG A 101 4.554 -2.061 13.111 1.00 31.52 C ATOM 644 NE ARG A 101 4.964 -2.373 14.488 1.00 2.52 N ATOM 645 CZ ARG A 101 4.867 -1.519 15.521 1.00 54.40 C ATOM 646 NH1 ARG A 101 4.368 -0.294 15.346 1.00 51.03 N ATOM 647 NH2 ARG A 101 5.254 -1.895 16.729 1.00 20.25 N ATOM 0 H ARG A 101 7.337 -2.655 10.283 1.00 32.12 H new ATOM 0 HA ARG A 101 5.208 -4.427 9.599 1.00 70.11 H new ATOM 0 HB2 ARG A 101 5.185 -1.513 10.521 1.00 70.24 H new ATOM 0 HB3 ARG A 101 3.781 -2.561 10.480 1.00 70.24 H new ATOM 0 HG2 ARG A 101 4.771 -4.016 12.218 1.00 5.11 H new ATOM 0 HG3 ARG A 101 6.243 -3.065 12.213 1.00 5.11 H new ATOM 0 HD2 ARG A 101 4.845 -1.037 12.875 1.00 31.52 H new ATOM 0 HD3 ARG A 101 3.467 -2.107 13.043 1.00 31.52 H new ATOM 0 HE ARG A 101 5.348 -3.300 14.672 1.00 2.52 H new ATOM 0 HH11 ARG A 101 4.056 0.002 14.421 1.00 51.03 H new ATOM 0 HH12 ARG A 101 4.299 0.346 16.137 1.00 51.03 H new ATOM 0 HH21 ARG A 101 5.626 -2.833 16.876 1.00 20.25 H new ATOM 0 HH22 ARG A 101 5.180 -1.247 17.513 1.00 20.25 H new ATOM 661 N LEU A 102 5.885 -1.893 7.626 1.00 32.41 N ATOM 662 CA LEU A 102 5.617 -1.158 6.386 1.00 55.01 C ATOM 663 C LEU A 102 5.877 -2.072 5.179 1.00 1.40 C ATOM 664 O LEU A 102 5.055 -2.143 4.266 1.00 12.31 O ATOM 665 CB LEU A 102 6.521 0.106 6.373 1.00 52.31 C ATOM 666 CG LEU A 102 6.380 1.109 5.194 1.00 44.32 C ATOM 667 CD1 LEU A 102 4.968 1.689 5.084 1.00 34.23 C ATOM 668 CD2 LEU A 102 7.413 2.235 5.333 1.00 64.13 C ATOM 0 H LEU A 102 6.768 -1.629 8.063 1.00 32.41 H new ATOM 0 HA LEU A 102 4.575 -0.842 6.328 1.00 55.01 H new ATOM 0 HB2 LEU A 102 6.338 0.654 7.297 1.00 52.31 H new ATOM 0 HB3 LEU A 102 7.558 -0.228 6.401 1.00 52.31 H new ATOM 0 HG LEU A 102 6.568 0.556 4.274 1.00 44.32 H new ATOM 0 HD11 LEU A 102 4.924 2.383 4.245 1.00 34.23 H new ATOM 0 HD12 LEU A 102 4.254 0.881 4.924 1.00 34.23 H new ATOM 0 HD13 LEU A 102 4.719 2.216 6.005 1.00 34.23 H new ATOM 0 HD21 LEU A 102 7.305 2.932 4.502 1.00 64.13 H new ATOM 0 HD22 LEU A 102 7.251 2.763 6.273 1.00 64.13 H new ATOM 0 HD23 LEU A 102 8.417 1.811 5.323 1.00 64.13 H new ATOM 680 N LYS A 103 7.024 -2.792 5.205 1.00 72.30 N ATOM 681 CA LYS A 103 7.363 -3.807 4.189 1.00 55.10 C ATOM 682 C LYS A 103 6.394 -4.984 4.242 1.00 20.43 C ATOM 683 O LYS A 103 5.918 -5.432 3.198 1.00 31.13 O ATOM 684 CB LYS A 103 8.818 -4.307 4.355 1.00 42.14 C ATOM 685 CG LYS A 103 9.874 -3.197 4.205 1.00 22.24 C ATOM 686 CD LYS A 103 11.317 -3.734 4.247 1.00 73.31 C ATOM 687 CE LYS A 103 11.674 -4.599 3.026 1.00 11.45 C ATOM 688 NZ LYS A 103 13.069 -5.111 3.101 1.00 43.32 N ATOM 0 H LYS A 103 7.735 -2.684 5.929 1.00 72.30 H new ATOM 0 HA LYS A 103 7.275 -3.329 3.213 1.00 55.10 H new ATOM 0 HB2 LYS A 103 8.925 -4.768 5.337 1.00 42.14 H new ATOM 0 HB3 LYS A 103 9.013 -5.084 3.616 1.00 42.14 H new ATOM 0 HG2 LYS A 103 9.713 -2.674 3.262 1.00 22.24 H new ATOM 0 HG3 LYS A 103 9.741 -2.465 5.002 1.00 22.24 H new ATOM 0 HD2 LYS A 103 12.009 -2.894 4.305 1.00 73.31 H new ATOM 0 HD3 LYS A 103 11.453 -4.323 5.154 1.00 73.31 H new ATOM 0 HE2 LYS A 103 10.982 -5.438 2.960 1.00 11.45 H new ATOM 0 HE3 LYS A 103 11.551 -4.012 2.116 1.00 11.45 H new ATOM 0 HZ1 LYS A 103 13.272 -5.689 2.261 1.00 43.32 H new ATOM 0 HZ2 LYS A 103 13.731 -4.310 3.138 1.00 43.32 H new ATOM 0 HZ3 LYS A 103 13.180 -5.692 3.956 1.00 43.32 H new ATOM 702 N ARG A 104 6.097 -5.469 5.471 1.00 44.44 N ATOM 703 CA ARG A 104 5.094 -6.527 5.681 1.00 41.44 C ATOM 704 C ARG A 104 3.710 -6.041 5.226 1.00 62.31 C ATOM 705 O ARG A 104 2.889 -6.834 4.765 1.00 30.00 O ATOM 706 CB ARG A 104 5.025 -6.967 7.166 1.00 32.22 C ATOM 707 CG ARG A 104 3.993 -8.092 7.431 1.00 60.25 C ATOM 708 CD ARG A 104 3.856 -8.482 8.902 1.00 64.11 C ATOM 709 NE ARG A 104 2.837 -9.539 9.082 1.00 55.11 N ATOM 710 CZ ARG A 104 3.041 -10.726 9.671 1.00 35.45 C ATOM 711 NH1 ARG A 104 4.244 -11.053 10.155 1.00 40.42 N ATOM 712 NH2 ARG A 104 2.044 -11.599 9.748 1.00 43.23 N ATOM 0 H ARG A 104 6.541 -5.141 6.329 1.00 44.44 H new ATOM 0 HA ARG A 104 5.398 -7.388 5.086 1.00 41.44 H new ATOM 0 HB2 ARG A 104 6.011 -7.308 7.482 1.00 32.22 H new ATOM 0 HB3 ARG A 104 4.774 -6.103 7.781 1.00 32.22 H new ATOM 0 HG2 ARG A 104 3.020 -7.772 7.059 1.00 60.25 H new ATOM 0 HG3 ARG A 104 4.279 -8.974 6.858 1.00 60.25 H new ATOM 0 HD2 ARG A 104 4.817 -8.831 9.279 1.00 64.11 H new ATOM 0 HD3 ARG A 104 3.582 -7.606 9.489 1.00 64.11 H new ATOM 0 HE ARG A 104 1.900 -9.349 8.728 1.00 55.11 H new ATOM 0 HH11 ARG A 104 5.020 -10.396 10.078 1.00 40.42 H new ATOM 0 HH12 ARG A 104 4.385 -11.960 10.601 1.00 40.42 H new ATOM 0 HH21 ARG A 104 1.130 -11.365 9.360 1.00 43.23 H new ATOM 0 HH22 ARG A 104 2.192 -12.504 10.195 1.00 43.23 H new ATOM 726 N GLY A 105 3.481 -4.724 5.377 1.00 61.03 N ATOM 727 CA GLY A 105 2.276 -4.075 4.898 1.00 4.11 C ATOM 728 C GLY A 105 2.108 -4.232 3.400 1.00 61.35 C ATOM 729 O GLY A 105 1.043 -4.615 2.953 1.00 61.14 O ATOM 0 H GLY A 105 4.135 -4.091 5.837 1.00 61.03 H new ATOM 0 HA2 GLY A 105 1.409 -4.497 5.407 1.00 4.11 H new ATOM 0 HA3 GLY A 105 2.309 -3.015 5.151 1.00 4.11 H new ATOM 733 N ILE A 106 3.188 -3.977 2.635 1.00 44.41 N ATOM 734 CA ILE A 106 3.187 -4.162 1.170 1.00 73.41 C ATOM 735 C ILE A 106 3.049 -5.659 0.787 1.00 10.14 C ATOM 736 O ILE A 106 2.398 -5.973 -0.193 1.00 71.15 O ATOM 737 CB ILE A 106 4.459 -3.483 0.490 1.00 53.33 C ATOM 738 CG1 ILE A 106 4.218 -1.954 0.236 1.00 41.31 C ATOM 739 CG2 ILE A 106 4.897 -4.175 -0.835 1.00 41.42 C ATOM 740 CD1 ILE A 106 4.152 -1.063 1.458 1.00 41.52 C ATOM 0 H ILE A 106 4.075 -3.641 3.009 1.00 44.41 H new ATOM 0 HA ILE A 106 2.309 -3.650 0.776 1.00 73.41 H new ATOM 0 HB ILE A 106 5.274 -3.610 1.202 1.00 53.33 H new ATOM 0 HG12 ILE A 106 5.015 -1.587 -0.410 1.00 41.31 H new ATOM 0 HG13 ILE A 106 3.285 -1.844 -0.316 1.00 41.31 H new ATOM 0 HG21 ILE A 106 5.768 -3.662 -1.243 1.00 41.42 H new ATOM 0 HG22 ILE A 106 5.150 -5.216 -0.635 1.00 41.42 H new ATOM 0 HG23 ILE A 106 4.080 -4.132 -1.555 1.00 41.42 H new ATOM 0 HD11 ILE A 106 3.982 -0.032 1.148 1.00 41.52 H new ATOM 0 HD12 ILE A 106 3.334 -1.388 2.101 1.00 41.52 H new ATOM 0 HD13 ILE A 106 5.092 -1.127 2.006 1.00 41.52 H new ATOM 752 N ILE A 107 3.633 -6.574 1.588 1.00 22.24 N ATOM 753 CA ILE A 107 3.524 -8.038 1.350 1.00 35.20 C ATOM 754 C ILE A 107 2.055 -8.501 1.519 1.00 33.12 C ATOM 755 O ILE A 107 1.512 -9.233 0.681 1.00 35.21 O ATOM 756 CB ILE A 107 4.469 -8.842 2.322 1.00 63.45 C ATOM 757 CG1 ILE A 107 5.963 -8.466 2.064 1.00 21.02 C ATOM 758 CG2 ILE A 107 4.252 -10.373 2.191 1.00 1.22 C ATOM 759 CD1 ILE A 107 6.947 -9.039 3.067 1.00 71.35 C ATOM 0 H ILE A 107 4.187 -6.329 2.409 1.00 22.24 H new ATOM 0 HA ILE A 107 3.842 -8.241 0.327 1.00 35.20 H new ATOM 0 HB ILE A 107 4.213 -8.564 3.344 1.00 63.45 H new ATOM 0 HG12 ILE A 107 6.242 -8.808 1.067 1.00 21.02 H new ATOM 0 HG13 ILE A 107 6.055 -7.380 2.066 1.00 21.02 H new ATOM 0 HG21 ILE A 107 4.920 -10.895 2.876 1.00 1.22 H new ATOM 0 HG22 ILE A 107 3.218 -10.616 2.437 1.00 1.22 H new ATOM 0 HG23 ILE A 107 4.465 -10.684 1.168 1.00 1.22 H new ATOM 0 HD11 ILE A 107 7.957 -8.724 2.806 1.00 71.35 H new ATOM 0 HD12 ILE A 107 6.701 -8.678 4.065 1.00 71.35 H new ATOM 0 HD13 ILE A 107 6.891 -10.127 3.051 1.00 71.35 H new ATOM 771 N HIS A 108 1.429 -8.001 2.601 1.00 32.22 N ATOM 772 CA HIS A 108 0.034 -8.290 2.968 1.00 43.35 C ATOM 773 C HIS A 108 -0.918 -7.639 1.955 1.00 61.50 C ATOM 774 O HIS A 108 -1.919 -8.236 1.563 1.00 1.13 O ATOM 775 CB HIS A 108 -0.258 -7.776 4.412 1.00 65.13 C ATOM 776 CG HIS A 108 -1.636 -8.088 4.934 1.00 12.25 C ATOM 777 ND1 HIS A 108 -2.365 -7.212 5.717 1.00 52.30 N ATOM 778 CD2 HIS A 108 -2.412 -9.187 4.798 1.00 30.35 C ATOM 779 CE1 HIS A 108 -3.520 -7.762 6.035 1.00 25.51 C ATOM 780 NE2 HIS A 108 -3.573 -8.957 5.487 1.00 3.11 N ATOM 0 H HIS A 108 1.891 -7.371 3.257 1.00 32.22 H new ATOM 0 HA HIS A 108 -0.126 -9.368 2.950 1.00 43.35 H new ATOM 0 HB2 HIS A 108 0.477 -8.208 5.091 1.00 65.13 H new ATOM 0 HB3 HIS A 108 -0.114 -6.696 4.433 1.00 65.13 H new ATOM 0 HD2 HIS A 108 -2.162 -10.082 4.247 1.00 30.35 H new ATOM 0 HE1 HIS A 108 -4.291 -7.309 6.641 1.00 25.51 H new ATOM 0 HE2 HIS A 108 -4.354 -9.608 5.563 1.00 3.11 H new ATOM 789 N ALA A 109 -0.565 -6.425 1.519 1.00 23.42 N ATOM 790 CA ALA A 109 -1.364 -5.643 0.572 1.00 23.42 C ATOM 791 C ALA A 109 -1.342 -6.286 -0.826 1.00 12.24 C ATOM 792 O ALA A 109 -2.377 -6.421 -1.467 1.00 3.13 O ATOM 793 CB ALA A 109 -0.847 -4.204 0.523 1.00 21.33 C ATOM 0 H ALA A 109 0.290 -5.955 1.816 1.00 23.42 H new ATOM 0 HA ALA A 109 -2.400 -5.630 0.911 1.00 23.42 H new ATOM 0 HB1 ALA A 109 -1.444 -3.627 -0.183 1.00 21.33 H new ATOM 0 HB2 ALA A 109 -0.923 -3.756 1.514 1.00 21.33 H new ATOM 0 HB3 ALA A 109 0.195 -4.202 0.203 1.00 21.33 H new ATOM 799 N ARG A 110 -0.145 -6.732 -1.237 1.00 51.15 N ATOM 800 CA ARG A 110 0.096 -7.415 -2.527 1.00 10.04 C ATOM 801 C ARG A 110 -0.626 -8.766 -2.553 1.00 23.34 C ATOM 802 O ARG A 110 -1.102 -9.205 -3.604 1.00 31.31 O ATOM 803 CB ARG A 110 1.640 -7.562 -2.735 1.00 43.33 C ATOM 804 CG ARG A 110 2.117 -8.443 -3.933 1.00 50.34 C ATOM 805 CD ARG A 110 2.597 -9.840 -3.495 1.00 71.12 C ATOM 806 NE ARG A 110 3.761 -9.761 -2.583 1.00 54.31 N ATOM 807 CZ ARG A 110 4.207 -10.750 -1.787 1.00 34.43 C ATOM 808 NH1 ARG A 110 3.595 -11.932 -1.756 1.00 72.01 N ATOM 809 NH2 ARG A 110 5.297 -10.560 -1.047 1.00 1.32 N ATOM 0 H ARG A 110 0.700 -6.629 -0.676 1.00 51.15 H new ATOM 0 HA ARG A 110 -0.307 -6.828 -3.352 1.00 10.04 H new ATOM 0 HB2 ARG A 110 2.061 -6.564 -2.861 1.00 43.33 H new ATOM 0 HB3 ARG A 110 2.066 -7.975 -1.821 1.00 43.33 H new ATOM 0 HG2 ARG A 110 1.299 -8.552 -4.646 1.00 50.34 H new ATOM 0 HG3 ARG A 110 2.927 -7.932 -4.453 1.00 50.34 H new ATOM 0 HD2 ARG A 110 1.781 -10.365 -2.998 1.00 71.12 H new ATOM 0 HD3 ARG A 110 2.864 -10.425 -4.375 1.00 71.12 H new ATOM 0 HE ARG A 110 4.270 -8.878 -2.556 1.00 54.31 H new ATOM 0 HH11 ARG A 110 2.776 -12.098 -2.341 1.00 72.01 H new ATOM 0 HH12 ARG A 110 3.945 -12.672 -1.147 1.00 72.01 H new ATOM 0 HH21 ARG A 110 5.790 -9.668 -1.085 1.00 1.32 H new ATOM 0 HH22 ARG A 110 5.639 -11.306 -0.442 1.00 1.32 H new ATOM 823 N ALA A 111 -0.731 -9.387 -1.365 1.00 55.13 N ATOM 824 CA ALA A 111 -1.452 -10.644 -1.175 1.00 20.42 C ATOM 825 C ALA A 111 -2.965 -10.427 -1.355 1.00 4.32 C ATOM 826 O ALA A 111 -3.603 -11.158 -2.105 1.00 23.04 O ATOM 827 CB ALA A 111 -1.143 -11.219 0.210 1.00 4.55 C ATOM 0 H ALA A 111 -0.313 -9.023 -0.509 1.00 55.13 H new ATOM 0 HA ALA A 111 -1.122 -11.360 -1.928 1.00 20.42 H new ATOM 0 HB1 ALA A 111 -1.684 -12.156 0.344 1.00 4.55 H new ATOM 0 HB2 ALA A 111 -0.072 -11.403 0.297 1.00 4.55 H new ATOM 0 HB3 ALA A 111 -1.453 -10.508 0.976 1.00 4.55 H new ATOM 833 N LEU A 112 -3.498 -9.363 -0.705 1.00 70.04 N ATOM 834 CA LEU A 112 -4.952 -9.052 -0.688 1.00 1.11 C ATOM 835 C LEU A 112 -5.475 -8.669 -2.084 1.00 31.35 C ATOM 836 O LEU A 112 -6.562 -9.107 -2.482 1.00 42.14 O ATOM 837 CB LEU A 112 -5.269 -7.933 0.351 1.00 70.10 C ATOM 838 CG LEU A 112 -5.091 -8.343 1.852 1.00 2.22 C ATOM 839 CD1 LEU A 112 -5.346 -7.148 2.790 1.00 54.12 C ATOM 840 CD2 LEU A 112 -5.989 -9.550 2.217 1.00 31.32 C ATOM 0 H LEU A 112 -2.934 -8.696 -0.178 1.00 70.04 H new ATOM 0 HA LEU A 112 -5.473 -9.960 -0.386 1.00 1.11 H new ATOM 0 HB2 LEU A 112 -4.625 -7.077 0.146 1.00 70.10 H new ATOM 0 HB3 LEU A 112 -6.297 -7.602 0.201 1.00 70.10 H new ATOM 0 HG LEU A 112 -4.055 -8.654 1.989 1.00 2.22 H new ATOM 0 HD11 LEU A 112 -5.215 -7.464 3.825 1.00 54.12 H new ATOM 0 HD12 LEU A 112 -4.640 -6.349 2.562 1.00 54.12 H new ATOM 0 HD13 LEU A 112 -6.364 -6.784 2.648 1.00 54.12 H new ATOM 0 HD21 LEU A 112 -5.842 -9.809 3.265 1.00 31.32 H new ATOM 0 HD22 LEU A 112 -7.034 -9.289 2.051 1.00 31.32 H new ATOM 0 HD23 LEU A 112 -5.724 -10.403 1.592 1.00 31.32 H new ATOM 852 N VAL A 113 -4.679 -7.860 -2.821 1.00 40.42 N ATOM 853 CA VAL A 113 -4.998 -7.475 -4.211 1.00 41.14 C ATOM 854 C VAL A 113 -4.997 -8.723 -5.113 1.00 23.32 C ATOM 855 O VAL A 113 -5.883 -8.893 -5.956 1.00 0.45 O ATOM 856 CB VAL A 113 -3.995 -6.396 -4.787 1.00 61.22 C ATOM 857 CG1 VAL A 113 -4.392 -5.972 -6.222 1.00 64.23 C ATOM 858 CG2 VAL A 113 -3.909 -5.159 -3.874 1.00 23.03 C ATOM 0 H VAL A 113 -3.808 -7.461 -2.472 1.00 40.42 H new ATOM 0 HA VAL A 113 -5.989 -7.022 -4.201 1.00 41.14 H new ATOM 0 HB VAL A 113 -3.010 -6.862 -4.823 1.00 61.22 H new ATOM 0 HG11 VAL A 113 -3.684 -5.230 -6.591 1.00 64.23 H new ATOM 0 HG12 VAL A 113 -4.378 -6.844 -6.876 1.00 64.23 H new ATOM 0 HG13 VAL A 113 -5.394 -5.544 -6.211 1.00 64.23 H new ATOM 0 HG21 VAL A 113 -3.211 -4.439 -4.301 1.00 23.03 H new ATOM 0 HG22 VAL A 113 -4.894 -4.701 -3.788 1.00 23.03 H new ATOM 0 HG23 VAL A 113 -3.561 -5.460 -2.886 1.00 23.03 H new ATOM 868 N ARG A 114 -4.016 -9.617 -4.881 1.00 53.25 N ATOM 869 CA ARG A 114 -3.847 -10.848 -5.672 1.00 2.41 C ATOM 870 C ARG A 114 -5.005 -11.840 -5.436 1.00 12.32 C ATOM 871 O ARG A 114 -5.493 -12.462 -6.389 1.00 2.30 O ATOM 872 CB ARG A 114 -2.474 -11.505 -5.369 1.00 0.13 C ATOM 873 CG ARG A 114 -2.190 -12.797 -6.176 1.00 20.54 C ATOM 874 CD ARG A 114 -2.102 -12.548 -7.696 1.00 0.12 C ATOM 875 NE ARG A 114 -2.100 -13.796 -8.478 1.00 52.31 N ATOM 876 CZ ARG A 114 -1.800 -13.888 -9.783 1.00 51.21 C ATOM 877 NH1 ARG A 114 -1.453 -12.810 -10.490 1.00 33.30 N ATOM 878 NH2 ARG A 114 -1.862 -15.064 -10.388 1.00 52.22 N ATOM 0 H ARG A 114 -3.322 -9.505 -4.142 1.00 53.25 H new ATOM 0 HA ARG A 114 -3.870 -10.573 -6.727 1.00 2.41 H new ATOM 0 HB2 ARG A 114 -1.685 -10.782 -5.576 1.00 0.13 H new ATOM 0 HB3 ARG A 114 -2.423 -11.737 -4.305 1.00 0.13 H new ATOM 0 HG2 ARG A 114 -1.255 -13.237 -5.830 1.00 20.54 H new ATOM 0 HG3 ARG A 114 -2.977 -13.524 -5.977 1.00 20.54 H new ATOM 0 HD2 ARG A 114 -2.944 -11.930 -8.008 1.00 0.12 H new ATOM 0 HD3 ARG A 114 -1.195 -11.985 -7.916 1.00 0.12 H new ATOM 0 HE ARG A 114 -2.346 -14.657 -7.990 1.00 52.31 H new ATOM 0 HH11 ARG A 114 -1.412 -11.896 -10.039 1.00 33.30 H new ATOM 0 HH12 ARG A 114 -1.229 -12.901 -11.481 1.00 33.30 H new ATOM 0 HH21 ARG A 114 -2.137 -15.894 -9.863 1.00 52.22 H new ATOM 0 HH22 ARG A 114 -1.635 -15.140 -11.380 1.00 52.22 H new ATOM 892 N GLU A 115 -5.471 -11.956 -4.178 1.00 12.44 N ATOM 893 CA GLU A 115 -6.589 -12.855 -3.835 1.00 22.43 C ATOM 894 C GLU A 115 -7.886 -12.366 -4.504 1.00 44.24 C ATOM 895 O GLU A 115 -8.734 -13.170 -4.908 1.00 44.40 O ATOM 896 CB GLU A 115 -6.790 -12.957 -2.300 1.00 52.12 C ATOM 897 CG GLU A 115 -5.581 -13.515 -1.518 1.00 61.44 C ATOM 898 CD GLU A 115 -5.031 -14.841 -2.086 1.00 40.43 C ATOM 899 OE1 GLU A 115 -5.723 -15.877 -1.978 1.00 63.24 O ATOM 900 OE2 GLU A 115 -3.903 -14.853 -2.628 1.00 12.44 O ATOM 0 H GLU A 115 -5.092 -11.440 -3.384 1.00 12.44 H new ATOM 0 HA GLU A 115 -6.342 -13.849 -4.207 1.00 22.43 H new ATOM 0 HB2 GLU A 115 -7.027 -11.966 -1.913 1.00 52.12 H new ATOM 0 HB3 GLU A 115 -7.654 -13.591 -2.103 1.00 52.12 H new ATOM 0 HG2 GLU A 115 -4.784 -12.771 -1.520 1.00 61.44 H new ATOM 0 HG3 GLU A 115 -5.872 -13.668 -0.479 1.00 61.44 H new ATOM 907 N CYS A 116 -8.016 -11.032 -4.634 1.00 72.34 N ATOM 908 CA CYS A 116 -9.170 -10.412 -5.293 1.00 72.41 C ATOM 909 C CYS A 116 -9.032 -10.471 -6.830 1.00 31.51 C ATOM 910 O CYS A 116 -10.032 -10.452 -7.526 1.00 50.32 O ATOM 911 CB CYS A 116 -9.353 -8.973 -4.799 1.00 22.12 C ATOM 912 SG CYS A 116 -9.573 -8.843 -3.016 1.00 3.02 S ATOM 0 H CYS A 116 -7.328 -10.363 -4.287 1.00 72.34 H new ATOM 0 HA CYS A 116 -10.064 -10.977 -5.029 1.00 72.41 H new ATOM 0 HB2 CYS A 116 -8.484 -8.384 -5.093 1.00 22.12 H new ATOM 0 HB3 CYS A 116 -10.218 -8.535 -5.296 1.00 22.12 H new ATOM 0 HG CYS A 116 -8.414 -8.902 -2.430 1.00 3.02 H new ATOM 918 N LEU A 117 -7.783 -10.578 -7.344 1.00 31.11 N ATOM 919 CA LEU A 117 -7.527 -10.793 -8.795 1.00 32.30 C ATOM 920 C LEU A 117 -8.166 -12.112 -9.276 1.00 72.23 C ATOM 921 O LEU A 117 -8.641 -12.187 -10.408 1.00 33.53 O ATOM 922 CB LEU A 117 -5.999 -10.776 -9.126 1.00 43.01 C ATOM 923 CG LEU A 117 -5.329 -9.367 -9.222 1.00 15.14 C ATOM 924 CD1 LEU A 117 -3.801 -9.491 -9.387 1.00 4.34 C ATOM 925 CD2 LEU A 117 -5.942 -8.541 -10.378 1.00 53.04 C ATOM 0 H LEU A 117 -6.936 -10.519 -6.779 1.00 31.11 H new ATOM 0 HA LEU A 117 -7.990 -9.964 -9.329 1.00 32.30 H new ATOM 0 HB2 LEU A 117 -5.477 -11.352 -8.362 1.00 43.01 H new ATOM 0 HB3 LEU A 117 -5.848 -11.292 -10.074 1.00 43.01 H new ATOM 0 HG LEU A 117 -5.525 -8.839 -8.289 1.00 15.14 H new ATOM 0 HD11 LEU A 117 -3.360 -8.496 -9.451 1.00 4.34 H new ATOM 0 HD12 LEU A 117 -3.384 -10.018 -8.529 1.00 4.34 H new ATOM 0 HD13 LEU A 117 -3.577 -10.047 -10.298 1.00 4.34 H new ATOM 0 HD21 LEU A 117 -5.459 -7.565 -10.424 1.00 53.04 H new ATOM 0 HD22 LEU A 117 -5.789 -9.066 -11.321 1.00 53.04 H new ATOM 0 HD23 LEU A 117 -7.010 -8.409 -10.205 1.00 53.04 H new ATOM 937 N ALA A 118 -8.192 -13.121 -8.381 1.00 63.32 N ATOM 938 CA ALA A 118 -8.824 -14.429 -8.629 1.00 63.14 C ATOM 939 C ALA A 118 -10.312 -14.301 -9.019 1.00 74.31 C ATOM 940 O ALA A 118 -10.773 -14.979 -9.933 1.00 63.15 O ATOM 941 CB ALA A 118 -8.665 -15.334 -7.396 1.00 12.15 C ATOM 0 H ALA A 118 -7.769 -13.047 -7.456 1.00 63.32 H new ATOM 0 HA ALA A 118 -8.313 -14.881 -9.479 1.00 63.14 H new ATOM 0 HB1 ALA A 118 -9.135 -16.298 -7.589 1.00 12.15 H new ATOM 0 HB2 ALA A 118 -7.605 -15.482 -7.188 1.00 12.15 H new ATOM 0 HB3 ALA A 118 -9.141 -14.864 -6.536 1.00 12.15 H new ATOM 947 N GLU A 119 -11.059 -13.434 -8.306 1.00 52.01 N ATOM 948 CA GLU A 119 -12.481 -13.153 -8.616 1.00 72.40 C ATOM 949 C GLU A 119 -12.627 -12.034 -9.681 1.00 34.24 C ATOM 950 O GLU A 119 -13.633 -11.983 -10.391 1.00 53.54 O ATOM 951 CB GLU A 119 -13.261 -12.796 -7.324 1.00 42.14 C ATOM 952 CG GLU A 119 -12.729 -11.558 -6.581 1.00 64.23 C ATOM 953 CD GLU A 119 -13.522 -11.213 -5.315 1.00 44.13 C ATOM 954 OE1 GLU A 119 -14.536 -10.494 -5.420 1.00 15.21 O ATOM 955 OE2 GLU A 119 -13.137 -11.659 -4.211 1.00 64.15 O ATOM 0 H GLU A 119 -10.701 -12.912 -7.506 1.00 52.01 H new ATOM 0 HA GLU A 119 -12.912 -14.060 -9.040 1.00 72.40 H new ATOM 0 HB2 GLU A 119 -14.307 -12.629 -7.580 1.00 42.14 H new ATOM 0 HB3 GLU A 119 -13.231 -13.651 -6.648 1.00 42.14 H new ATOM 0 HG2 GLU A 119 -11.686 -11.727 -6.312 1.00 64.23 H new ATOM 0 HG3 GLU A 119 -12.749 -10.703 -7.257 1.00 64.23 H new ATOM 962 N THR A 120 -11.594 -11.168 -9.805 1.00 33.24 N ATOM 963 CA THR A 120 -11.610 -10.011 -10.736 1.00 21.45 C ATOM 964 C THR A 120 -11.492 -10.491 -12.194 1.00 42.42 C ATOM 965 O THR A 120 -12.093 -9.913 -13.088 1.00 21.05 O ATOM 966 CB THR A 120 -10.480 -8.969 -10.387 1.00 13.21 C ATOM 967 OG1 THR A 120 -10.724 -8.407 -9.083 1.00 22.34 O ATOM 968 CG2 THR A 120 -10.376 -7.806 -11.400 1.00 61.45 C ATOM 0 H THR A 120 -10.731 -11.249 -9.267 1.00 33.24 H new ATOM 0 HA THR A 120 -12.566 -9.500 -10.619 1.00 21.45 H new ATOM 0 HB THR A 120 -9.541 -9.521 -10.420 1.00 13.21 H new ATOM 0 HG1 THR A 120 -10.265 -8.944 -8.404 1.00 22.34 H new ATOM 0 HG21 THR A 120 -9.578 -7.129 -11.096 1.00 61.45 H new ATOM 0 HG22 THR A 120 -10.156 -8.205 -12.390 1.00 61.45 H new ATOM 0 HG23 THR A 120 -11.321 -7.263 -11.429 1.00 61.45 H new ATOM 976 N GLU A 121 -10.746 -11.582 -12.410 1.00 40.53 N ATOM 977 CA GLU A 121 -10.574 -12.195 -13.743 1.00 4.42 C ATOM 978 C GLU A 121 -11.845 -12.957 -14.173 1.00 1.34 C ATOM 979 O GLU A 121 -12.089 -13.146 -15.365 1.00 24.04 O ATOM 980 CB GLU A 121 -9.339 -13.122 -13.736 1.00 50.21 C ATOM 981 CG GLU A 121 -9.436 -14.289 -12.740 1.00 31.43 C ATOM 982 CD GLU A 121 -8.124 -15.052 -12.554 1.00 61.42 C ATOM 983 OE1 GLU A 121 -7.103 -14.415 -12.232 1.00 23.14 O ATOM 984 OE2 GLU A 121 -8.103 -16.295 -12.695 1.00 4.22 O ATOM 0 H GLU A 121 -10.242 -12.068 -11.668 1.00 40.53 H new ATOM 0 HA GLU A 121 -10.410 -11.404 -14.475 1.00 4.42 H new ATOM 0 HB2 GLU A 121 -9.195 -13.525 -14.738 1.00 50.21 H new ATOM 0 HB3 GLU A 121 -8.455 -12.530 -13.500 1.00 50.21 H new ATOM 0 HG2 GLU A 121 -9.762 -13.904 -11.774 1.00 31.43 H new ATOM 0 HG3 GLU A 121 -10.204 -14.983 -13.082 1.00 31.43 H new ATOM 991 N ARG A 122 -12.650 -13.380 -13.174 1.00 55.33 N ATOM 992 CA ARG A 122 -13.959 -14.022 -13.412 1.00 23.21 C ATOM 993 C ARG A 122 -15.004 -13.004 -13.928 1.00 22.33 C ATOM 994 O ARG A 122 -16.066 -13.397 -14.423 1.00 41.23 O ATOM 995 CB ARG A 122 -14.452 -14.719 -12.120 1.00 61.32 C ATOM 996 CG ARG A 122 -13.465 -15.776 -11.577 1.00 74.44 C ATOM 997 CD ARG A 122 -13.928 -16.442 -10.269 1.00 1.34 C ATOM 998 NE ARG A 122 -12.854 -17.268 -9.685 1.00 52.20 N ATOM 999 CZ ARG A 122 -12.622 -17.433 -8.373 1.00 24.22 C ATOM 1000 NH1 ARG A 122 -13.393 -16.835 -7.461 1.00 15.14 N ATOM 1001 NH2 ARG A 122 -11.601 -18.185 -7.975 1.00 53.45 N ATOM 0 H ARG A 122 -12.412 -13.286 -12.187 1.00 55.33 H new ATOM 0 HA ARG A 122 -13.833 -14.776 -14.189 1.00 23.21 H new ATOM 0 HB2 ARG A 122 -14.623 -13.965 -11.352 1.00 61.32 H new ATOM 0 HB3 ARG A 122 -15.412 -15.197 -12.317 1.00 61.32 H new ATOM 0 HG2 ARG A 122 -13.319 -16.546 -12.334 1.00 74.44 H new ATOM 0 HG3 ARG A 122 -12.497 -15.304 -11.411 1.00 74.44 H new ATOM 0 HD2 ARG A 122 -14.231 -15.676 -9.555 1.00 1.34 H new ATOM 0 HD3 ARG A 122 -14.803 -17.062 -10.463 1.00 1.34 H new ATOM 0 HE ARG A 122 -12.235 -17.755 -10.333 1.00 52.20 H new ATOM 0 HH11 ARG A 122 -14.170 -16.244 -7.758 1.00 15.14 H new ATOM 0 HH12 ARG A 122 -13.205 -16.969 -6.467 1.00 15.14 H new ATOM 0 HH21 ARG A 122 -10.998 -18.633 -8.665 1.00 53.45 H new ATOM 0 HH22 ARG A 122 -11.420 -18.314 -6.979 1.00 53.45 H new ATOM 1015 N ASN A 123 -14.685 -11.695 -13.794 1.00 64.03 N ATOM 1016 CA ASN A 123 -15.445 -10.608 -14.439 1.00 11.25 C ATOM 1017 C ASN A 123 -15.304 -10.722 -15.967 1.00 3.41 C ATOM 1018 O ASN A 123 -16.279 -10.565 -16.694 1.00 31.13 O ATOM 1019 CB ASN A 123 -14.956 -9.217 -13.951 1.00 30.44 C ATOM 1020 CG ASN A 123 -15.714 -8.050 -14.592 1.00 23.33 C ATOM 1021 OD1 ASN A 123 -16.748 -7.615 -14.086 1.00 25.41 O ATOM 1022 ND2 ASN A 123 -15.205 -7.530 -15.707 1.00 72.13 N ATOM 0 H ASN A 123 -13.896 -11.368 -13.237 1.00 64.03 H new ATOM 0 HA ASN A 123 -16.495 -10.704 -14.164 1.00 11.25 H new ATOM 0 HB2 ASN A 123 -15.065 -9.161 -12.868 1.00 30.44 H new ATOM 0 HB3 ASN A 123 -13.893 -9.115 -14.171 1.00 30.44 H new ATOM 0 HD21 ASN A 123 -15.674 -6.749 -16.166 1.00 72.13 H new ATOM 0 HD22 ASN A 123 -14.346 -7.913 -16.102 1.00 72.13 H new ATOM 1029 N ALA A 124 -14.068 -11.009 -16.434 1.00 3.23 N ATOM 1030 CA ALA A 124 -13.775 -11.194 -17.867 1.00 20.11 C ATOM 1031 C ALA A 124 -14.424 -12.492 -18.377 1.00 10.53 C ATOM 1032 O ALA A 124 -13.855 -13.576 -18.224 1.00 73.22 O ATOM 1033 CB ALA A 124 -12.260 -11.224 -18.118 1.00 54.35 C ATOM 0 H ALA A 124 -13.253 -11.118 -15.830 1.00 3.23 H new ATOM 0 HA ALA A 124 -14.194 -10.349 -18.413 1.00 20.11 H new ATOM 0 HB1 ALA A 124 -12.070 -11.362 -19.183 1.00 54.35 H new ATOM 0 HB2 ALA A 124 -11.818 -10.283 -17.789 1.00 54.35 H new ATOM 0 HB3 ALA A 124 -11.815 -12.048 -17.561 1.00 54.35 H new ATOM 1039 N ARG A 125 -15.629 -12.365 -18.954 1.00 40.33 N ATOM 1040 CA ARG A 125 -16.431 -13.506 -19.444 1.00 74.33 C ATOM 1041 C ARG A 125 -16.966 -13.253 -20.870 1.00 31.41 C ATOM 1042 O ARG A 125 -17.774 -14.038 -21.378 1.00 4.21 O ATOM 1043 CB ARG A 125 -17.591 -13.784 -18.445 1.00 54.02 C ATOM 1044 CG ARG A 125 -18.505 -12.570 -18.153 1.00 2.54 C ATOM 1045 CD ARG A 125 -19.605 -12.882 -17.121 1.00 33.34 C ATOM 1046 NE ARG A 125 -20.437 -11.699 -16.834 1.00 72.33 N ATOM 1047 CZ ARG A 125 -21.615 -11.709 -16.193 1.00 22.23 C ATOM 1048 NH1 ARG A 125 -22.148 -12.846 -15.757 1.00 3.54 N ATOM 1049 NH2 ARG A 125 -22.260 -10.571 -15.977 1.00 54.55 N ATOM 0 H ARG A 125 -16.081 -11.462 -19.097 1.00 40.33 H new ATOM 0 HA ARG A 125 -15.792 -14.387 -19.502 1.00 74.33 H new ATOM 0 HB2 ARG A 125 -18.204 -14.595 -18.839 1.00 54.02 H new ATOM 0 HB3 ARG A 125 -17.165 -14.134 -17.505 1.00 54.02 H new ATOM 0 HG2 ARG A 125 -17.896 -11.743 -17.789 1.00 2.54 H new ATOM 0 HG3 ARG A 125 -18.969 -12.239 -19.082 1.00 2.54 H new ATOM 0 HD2 ARG A 125 -20.236 -13.688 -17.495 1.00 33.34 H new ATOM 0 HD3 ARG A 125 -19.147 -13.237 -16.198 1.00 33.34 H new ATOM 0 HE ARG A 125 -20.086 -10.795 -17.150 1.00 72.33 H new ATOM 0 HH11 ARG A 125 -21.660 -13.729 -15.908 1.00 3.54 H new ATOM 0 HH12 ARG A 125 -23.045 -12.836 -15.271 1.00 3.54 H new ATOM 0 HH21 ARG A 125 -21.860 -9.689 -16.298 1.00 54.55 H new ATOM 0 HH22 ARG A 125 -23.156 -10.577 -15.490 1.00 54.55 H new ATOM 1063 N THR A 126 -16.492 -12.171 -21.513 1.00 30.20 N ATOM 1064 CA THR A 126 -16.896 -11.788 -22.877 1.00 44.50 C ATOM 1065 C THR A 126 -15.691 -11.178 -23.638 1.00 5.42 C ATOM 1066 O THR A 126 -15.395 -11.622 -24.762 1.00 51.52 O ATOM 1067 CB THR A 126 -18.126 -10.802 -22.872 1.00 34.21 C ATOM 1068 OG1 THR A 126 -18.355 -10.264 -24.193 1.00 54.45 O ATOM 1069 CG2 THR A 126 -17.973 -9.648 -21.860 1.00 65.55 C ATOM 1070 OXT THR A 126 -15.014 -10.286 -23.083 1.00 36.96 O ATOM 0 H THR A 126 -15.813 -11.533 -21.097 1.00 30.20 H new ATOM 0 HA THR A 126 -17.218 -12.690 -23.398 1.00 44.50 H new ATOM 0 HB THR A 126 -18.987 -11.393 -22.560 1.00 34.21 H new ATOM 0 HG1 THR A 126 -19.123 -9.656 -24.170 1.00 54.45 H new ATOM 0 HG21 THR A 126 -18.852 -9.005 -21.906 1.00 65.55 H new ATOM 0 HG22 THR A 126 -17.874 -10.057 -20.854 1.00 65.55 H new ATOM 0 HG23 THR A 126 -17.085 -9.066 -22.104 1.00 65.55 H new TER 1078 THR A 126 ATOM 1079 N SER B 58 6.576 -23.400 -6.452 1.00 30.33 N ATOM 1080 CA SER B 58 7.203 -22.072 -6.612 1.00 64.34 C ATOM 1081 C SER B 58 6.184 -21.096 -7.213 1.00 14.22 C ATOM 1082 O SER B 58 5.237 -21.518 -7.894 1.00 1.22 O ATOM 1083 CB SER B 58 8.458 -22.186 -7.512 1.00 33.51 C ATOM 1084 OG SER B 58 9.158 -20.958 -7.598 1.00 24.10 O ATOM 0 HA SER B 58 7.516 -21.694 -5.639 1.00 64.34 H new ATOM 0 HB2 SER B 58 9.121 -22.955 -7.115 1.00 33.51 H new ATOM 0 HB3 SER B 58 8.161 -22.506 -8.511 1.00 33.51 H new ATOM 0 HG SER B 58 9.944 -21.069 -8.172 1.00 24.10 H new ATOM 1092 N HIS B 59 6.365 -19.791 -6.933 1.00 54.45 N ATOM 1093 CA HIS B 59 5.552 -18.716 -7.521 1.00 54.21 C ATOM 1094 C HIS B 59 6.294 -17.371 -7.368 1.00 21.41 C ATOM 1095 O HIS B 59 6.585 -16.933 -6.251 1.00 45.15 O ATOM 1096 CB HIS B 59 4.123 -18.661 -6.899 1.00 53.42 C ATOM 1097 CG HIS B 59 4.040 -18.382 -5.416 1.00 74.30 C ATOM 1098 ND1 HIS B 59 3.745 -17.134 -4.903 1.00 50.40 N ATOM 1099 CD2 HIS B 59 4.175 -19.197 -4.345 1.00 40.52 C ATOM 1100 CE1 HIS B 59 3.689 -17.204 -3.590 1.00 44.41 C ATOM 1101 NE2 HIS B 59 3.948 -18.442 -3.229 1.00 4.30 N ATOM 0 H HIS B 59 7.082 -19.455 -6.290 1.00 54.45 H new ATOM 0 HA HIS B 59 5.413 -18.923 -8.582 1.00 54.21 H new ATOM 0 HB2 HIS B 59 3.553 -17.893 -7.422 1.00 53.42 H new ATOM 0 HB3 HIS B 59 3.630 -19.613 -7.095 1.00 53.42 H new ATOM 0 HD2 HIS B 59 4.417 -20.249 -4.368 1.00 40.52 H new ATOM 0 HE1 HIS B 59 3.468 -16.384 -2.922 1.00 44.41 H new ATOM 0 HE2 HIS B 59 3.975 -18.784 -2.268 1.00 4.30 H new ATOM 1110 N MET B 60 6.621 -16.754 -8.508 1.00 41.12 N ATOM 1111 CA MET B 60 7.302 -15.453 -8.577 1.00 62.32 C ATOM 1112 C MET B 60 6.925 -14.811 -9.911 1.00 74.13 C ATOM 1113 O MET B 60 7.442 -15.197 -10.967 1.00 72.23 O ATOM 1114 CB MET B 60 8.844 -15.615 -8.464 1.00 73.03 C ATOM 1115 CG MET B 60 9.644 -14.300 -8.519 1.00 62.23 C ATOM 1116 SD MET B 60 11.435 -14.563 -8.435 1.00 4.20 S ATOM 1117 CE MET B 60 12.059 -12.877 -8.348 1.00 65.53 C ATOM 0 H MET B 60 6.417 -17.150 -9.426 1.00 41.12 H new ATOM 0 HA MET B 60 6.990 -14.824 -7.743 1.00 62.32 H new ATOM 0 HB2 MET B 60 9.073 -16.123 -7.527 1.00 73.03 H new ATOM 0 HB3 MET B 60 9.186 -16.264 -9.270 1.00 73.03 H new ATOM 0 HG2 MET B 60 9.402 -13.771 -9.441 1.00 62.23 H new ATOM 0 HG3 MET B 60 9.337 -13.658 -7.693 1.00 62.23 H new ATOM 0 HE1 MET B 60 12.832 -12.736 -9.104 1.00 65.53 H new ATOM 0 HE2 MET B 60 11.243 -12.177 -8.528 1.00 65.53 H new ATOM 0 HE3 MET B 60 12.481 -12.696 -7.359 1.00 65.53 H new ATOM 1127 N ALA B 61 5.961 -13.890 -9.853 1.00 50.11 N ATOM 1128 CA ALA B 61 5.496 -13.141 -11.022 1.00 42.50 C ATOM 1129 C ALA B 61 6.588 -12.157 -11.497 1.00 62.24 C ATOM 1130 O ALA B 61 6.740 -11.058 -10.951 1.00 43.20 O ATOM 1131 CB ALA B 61 4.184 -12.407 -10.681 1.00 42.15 C ATOM 0 H ALA B 61 5.479 -13.642 -8.989 1.00 50.11 H new ATOM 0 HA ALA B 61 5.297 -13.833 -11.841 1.00 42.50 H new ATOM 0 HB1 ALA B 61 3.841 -11.851 -11.553 1.00 42.15 H new ATOM 0 HB2 ALA B 61 3.425 -13.134 -10.393 1.00 42.15 H new ATOM 0 HB3 ALA B 61 4.357 -11.717 -9.856 1.00 42.15 H new ATOM 1137 N MET B 62 7.403 -12.609 -12.455 1.00 12.21 N ATOM 1138 CA MET B 62 8.376 -11.760 -13.178 1.00 15.34 C ATOM 1139 C MET B 62 7.628 -11.010 -14.291 1.00 10.34 C ATOM 1140 O MET B 62 7.876 -9.826 -14.558 1.00 3.22 O ATOM 1141 CB MET B 62 9.508 -12.639 -13.784 1.00 42.20 C ATOM 1142 CG MET B 62 10.242 -13.513 -12.760 1.00 45.14 C ATOM 1143 SD MET B 62 11.062 -12.539 -11.480 1.00 12.33 S ATOM 1144 CE MET B 62 12.291 -11.630 -12.424 1.00 72.54 C ATOM 0 H MET B 62 7.412 -13.583 -12.759 1.00 12.21 H new ATOM 0 HA MET B 62 8.833 -11.047 -12.492 1.00 15.34 H new ATOM 0 HB2 MET B 62 9.081 -13.282 -14.554 1.00 42.20 H new ATOM 0 HB3 MET B 62 10.232 -11.990 -14.277 1.00 42.20 H new ATOM 0 HG2 MET B 62 9.531 -14.195 -12.293 1.00 45.14 H new ATOM 0 HG3 MET B 62 10.981 -14.127 -13.275 1.00 45.14 H new ATOM 0 HE1 MET B 62 13.019 -11.189 -11.743 1.00 72.54 H new ATOM 0 HE2 MET B 62 12.799 -12.309 -13.109 1.00 72.54 H new ATOM 0 HE3 MET B 62 11.801 -10.840 -12.993 1.00 72.54 H new ATOM 1154 N LYS B 63 6.704 -11.746 -14.932 1.00 14.21 N ATOM 1155 CA LYS B 63 5.754 -11.219 -15.913 1.00 10.41 C ATOM 1156 C LYS B 63 4.502 -12.145 -15.940 1.00 34.51 C ATOM 1157 O LYS B 63 4.483 -13.168 -16.627 1.00 33.02 O ATOM 1158 CB LYS B 63 6.423 -11.052 -17.314 1.00 10.21 C ATOM 1159 CG LYS B 63 7.101 -12.312 -17.897 1.00 4.31 C ATOM 1160 CD LYS B 63 7.740 -12.055 -19.285 1.00 23.41 C ATOM 1161 CE LYS B 63 8.289 -13.338 -19.927 1.00 44.12 C ATOM 1162 NZ LYS B 63 9.349 -13.973 -19.111 1.00 60.13 N ATOM 0 H LYS B 63 6.599 -12.748 -14.775 1.00 14.21 H new ATOM 0 HA LYS B 63 5.431 -10.219 -15.625 1.00 10.41 H new ATOM 0 HB2 LYS B 63 5.664 -10.714 -18.019 1.00 10.21 H new ATOM 0 HB3 LYS B 63 7.170 -10.261 -17.246 1.00 10.21 H new ATOM 0 HG2 LYS B 63 7.869 -12.660 -17.206 1.00 4.31 H new ATOM 0 HG3 LYS B 63 6.364 -13.110 -17.982 1.00 4.31 H new ATOM 0 HD2 LYS B 63 6.997 -11.611 -19.947 1.00 23.41 H new ATOM 0 HD3 LYS B 63 8.548 -11.330 -19.181 1.00 23.41 H new ATOM 0 HE2 LYS B 63 7.473 -14.046 -20.071 1.00 44.12 H new ATOM 0 HE3 LYS B 63 8.686 -13.105 -20.915 1.00 44.12 H new ATOM 0 HZ1 LYS B 63 9.709 -14.815 -19.604 1.00 60.13 H new ATOM 0 HZ2 LYS B 63 10.127 -13.298 -18.966 1.00 60.13 H new ATOM 0 HZ3 LYS B 63 8.957 -14.253 -18.189 1.00 60.13 H new ATOM 1176 N PRO B 64 3.447 -11.828 -15.119 1.00 61.34 N ATOM 1177 CA PRO B 64 2.243 -12.686 -14.995 1.00 13.23 C ATOM 1178 C PRO B 64 1.263 -12.516 -16.190 1.00 5.32 C ATOM 1179 O PRO B 64 0.750 -11.414 -16.425 1.00 44.34 O ATOM 1180 CB PRO B 64 1.622 -12.188 -13.662 1.00 21.44 C ATOM 1181 CG PRO B 64 1.983 -10.735 -13.596 1.00 20.51 C ATOM 1182 CD PRO B 64 3.347 -10.613 -14.255 1.00 2.11 C ATOM 0 HA PRO B 64 2.474 -13.751 -15.002 1.00 13.23 H new ATOM 0 HB2 PRO B 64 0.541 -12.329 -13.651 1.00 21.44 H new ATOM 0 HB3 PRO B 64 2.023 -12.735 -12.809 1.00 21.44 H new ATOM 0 HG2 PRO B 64 1.243 -10.125 -14.114 1.00 20.51 H new ATOM 0 HG3 PRO B 64 2.016 -10.387 -12.563 1.00 20.51 H new ATOM 0 HD2 PRO B 64 3.425 -9.699 -14.843 1.00 2.11 H new ATOM 0 HD3 PRO B 64 4.146 -10.584 -13.514 1.00 2.11 H new ATOM 1190 N PRO B 65 1.000 -13.599 -16.989 1.00 13.24 N ATOM 1191 CA PRO B 65 -0.054 -13.576 -18.032 1.00 31.44 C ATOM 1192 C PRO B 65 -1.456 -13.763 -17.400 1.00 0.04 C ATOM 1193 O PRO B 65 -1.573 -14.240 -16.259 1.00 11.55 O ATOM 1194 CB PRO B 65 0.342 -14.765 -18.942 1.00 74.53 C ATOM 1195 CG PRO B 65 0.979 -15.749 -18.007 1.00 2.00 C ATOM 1196 CD PRO B 65 1.708 -14.913 -16.965 1.00 74.03 C ATOM 0 HA PRO B 65 -0.118 -12.634 -18.577 1.00 31.44 H new ATOM 0 HB2 PRO B 65 -0.529 -15.194 -19.438 1.00 74.53 H new ATOM 0 HB3 PRO B 65 1.034 -14.454 -19.725 1.00 74.53 H new ATOM 0 HG2 PRO B 65 0.229 -16.389 -17.541 1.00 2.00 H new ATOM 0 HG3 PRO B 65 1.671 -16.403 -18.538 1.00 2.00 H new ATOM 0 HD2 PRO B 65 1.658 -15.374 -15.979 1.00 74.03 H new ATOM 0 HD3 PRO B 65 2.764 -14.801 -17.212 1.00 74.03 H new ATOM 1204 N GLY B 66 -2.507 -13.349 -18.120 1.00 45.44 N ATOM 1205 CA GLY B 66 -3.885 -13.531 -17.651 1.00 14.02 C ATOM 1206 C GLY B 66 -4.853 -12.548 -18.278 1.00 71.31 C ATOM 1207 O GLY B 66 -4.524 -11.887 -19.270 1.00 53.04 O ATOM 0 H GLY B 66 -2.429 -12.887 -19.026 1.00 45.44 H new ATOM 0 HA2 GLY B 66 -4.209 -14.547 -17.876 1.00 14.02 H new ATOM 0 HA3 GLY B 66 -3.913 -13.420 -16.567 1.00 14.02 H new ATOM 1211 N ALA B 67 -6.061 -12.470 -17.694 1.00 15.11 N ATOM 1212 CA ALA B 67 -7.126 -11.565 -18.158 1.00 71.33 C ATOM 1213 C ALA B 67 -6.736 -10.099 -17.883 1.00 20.54 C ATOM 1214 O ALA B 67 -6.284 -9.782 -16.785 1.00 34.45 O ATOM 1215 CB ALA B 67 -8.454 -11.916 -17.463 1.00 65.42 C ATOM 0 H ALA B 67 -6.326 -13.033 -16.886 1.00 15.11 H new ATOM 0 HA ALA B 67 -7.255 -11.688 -19.233 1.00 71.33 H new ATOM 0 HB1 ALA B 67 -9.236 -11.242 -17.812 1.00 65.42 H new ATOM 0 HB2 ALA B 67 -8.728 -12.944 -17.700 1.00 65.42 H new ATOM 0 HB3 ALA B 67 -8.339 -11.811 -16.384 1.00 65.42 H new ATOM 1221 N GLN B 68 -6.893 -9.239 -18.901 1.00 52.41 N ATOM 1222 CA GLN B 68 -6.543 -7.801 -18.838 1.00 42.25 C ATOM 1223 C GLN B 68 -7.756 -6.955 -19.286 1.00 62.23 C ATOM 1224 O GLN B 68 -8.782 -7.499 -19.700 1.00 2.25 O ATOM 1225 CB GLN B 68 -5.298 -7.523 -19.732 1.00 22.44 C ATOM 1226 CG GLN B 68 -4.036 -8.309 -19.335 1.00 55.23 C ATOM 1227 CD GLN B 68 -2.836 -7.983 -20.215 1.00 45.35 C ATOM 1228 OE1 GLN B 68 -2.621 -8.608 -21.257 1.00 45.13 O ATOM 1229 NE2 GLN B 68 -2.047 -6.999 -19.813 1.00 51.31 N ATOM 0 H GLN B 68 -7.271 -9.521 -19.805 1.00 52.41 H new ATOM 0 HA GLN B 68 -6.292 -7.524 -17.814 1.00 42.25 H new ATOM 0 HB2 GLN B 68 -5.549 -7.762 -20.766 1.00 22.44 H new ATOM 0 HB3 GLN B 68 -5.072 -6.457 -19.697 1.00 22.44 H new ATOM 0 HG2 GLN B 68 -3.789 -8.090 -18.296 1.00 55.23 H new ATOM 0 HG3 GLN B 68 -4.245 -9.377 -19.395 1.00 55.23 H new ATOM 0 HE21 GLN B 68 -2.253 -6.502 -18.946 1.00 51.31 H new ATOM 0 HE22 GLN B 68 -1.233 -6.738 -20.370 1.00 51.31 H new ATOM 1238 N GLY B 69 -7.620 -5.624 -19.219 1.00 51.10 N ATOM 1239 CA GLY B 69 -8.716 -4.694 -19.511 1.00 41.03 C ATOM 1240 C GLY B 69 -9.404 -4.239 -18.241 1.00 4.31 C ATOM 1241 O GLY B 69 -8.965 -3.275 -17.604 1.00 31.43 O ATOM 0 H GLY B 69 -6.747 -5.163 -18.961 1.00 51.10 H new ATOM 0 HA2 GLY B 69 -8.328 -3.828 -20.047 1.00 41.03 H new ATOM 0 HA3 GLY B 69 -9.441 -5.177 -20.167 1.00 41.03 H new ATOM 1245 N SER B 70 -10.458 -4.965 -17.847 1.00 35.11 N ATOM 1246 CA SER B 70 -11.202 -4.695 -16.610 1.00 41.53 C ATOM 1247 C SER B 70 -10.378 -5.098 -15.375 1.00 52.40 C ATOM 1248 O SER B 70 -10.588 -4.576 -14.273 1.00 23.23 O ATOM 1249 CB SER B 70 -12.550 -5.441 -16.645 1.00 3.24 C ATOM 1250 OG SER B 70 -12.394 -6.841 -16.832 1.00 64.53 O ATOM 0 H SER B 70 -10.819 -5.757 -18.378 1.00 35.11 H new ATOM 0 HA SER B 70 -11.395 -3.625 -16.538 1.00 41.53 H new ATOM 0 HB2 SER B 70 -13.086 -5.260 -15.713 1.00 3.24 H new ATOM 0 HB3 SER B 70 -13.164 -5.037 -17.450 1.00 3.24 H new ATOM 0 HG SER B 70 -12.981 -7.142 -17.557 1.00 64.53 H new ATOM 1256 N GLN B 71 -9.431 -6.031 -15.591 1.00 24.51 N ATOM 1257 CA GLN B 71 -8.515 -6.520 -14.551 1.00 32.53 C ATOM 1258 C GLN B 71 -7.335 -5.563 -14.403 1.00 2.11 C ATOM 1259 O GLN B 71 -6.916 -5.295 -13.292 1.00 14.03 O ATOM 1260 CB GLN B 71 -7.998 -7.952 -14.869 1.00 53.42 C ATOM 1261 CG GLN B 71 -9.086 -9.042 -14.892 1.00 15.13 C ATOM 1262 CD GLN B 71 -10.091 -8.906 -16.039 1.00 34.14 C ATOM 1263 OE1 GLN B 71 -9.757 -8.468 -17.137 1.00 74.04 O ATOM 1264 NE2 GLN B 71 -11.344 -9.228 -15.790 1.00 62.23 N ATOM 0 H GLN B 71 -9.282 -6.468 -16.501 1.00 24.51 H new ATOM 0 HA GLN B 71 -9.069 -6.565 -13.614 1.00 32.53 H new ATOM 0 HB2 GLN B 71 -7.499 -7.936 -15.838 1.00 53.42 H new ATOM 0 HB3 GLN B 71 -7.246 -8.224 -14.128 1.00 53.42 H new ATOM 0 HG2 GLN B 71 -8.605 -10.018 -14.960 1.00 15.13 H new ATOM 0 HG3 GLN B 71 -9.627 -9.019 -13.946 1.00 15.13 H new ATOM 0 HE21 GLN B 71 -11.605 -9.590 -14.873 1.00 62.23 H new ATOM 0 HE22 GLN B 71 -12.053 -9.115 -16.514 1.00 62.23 H new ATOM 1273 N SER B 72 -6.811 -5.074 -15.549 1.00 23.11 N ATOM 1274 CA SER B 72 -5.703 -4.088 -15.604 1.00 74.34 C ATOM 1275 C SER B 72 -6.003 -2.820 -14.772 1.00 55.33 C ATOM 1276 O SER B 72 -5.099 -2.242 -14.151 1.00 74.41 O ATOM 1277 CB SER B 72 -5.419 -3.712 -17.072 1.00 54.20 C ATOM 1278 OG SER B 72 -5.125 -4.867 -17.832 1.00 55.34 O ATOM 0 H SER B 72 -7.147 -5.354 -16.471 1.00 23.11 H new ATOM 0 HA SER B 72 -4.821 -4.554 -15.165 1.00 74.34 H new ATOM 0 HB2 SER B 72 -6.283 -3.201 -17.496 1.00 54.20 H new ATOM 0 HB3 SER B 72 -4.582 -3.016 -17.120 1.00 54.20 H new ATOM 0 HG SER B 72 -4.649 -4.609 -18.649 1.00 55.34 H new ATOM 1284 N THR B 73 -7.287 -2.426 -14.784 1.00 32.52 N ATOM 1285 CA THR B 73 -7.830 -1.350 -13.945 1.00 12.51 C ATOM 1286 C THR B 73 -7.501 -1.590 -12.448 1.00 33.21 C ATOM 1287 O THR B 73 -7.024 -0.696 -11.740 1.00 44.00 O ATOM 1288 CB THR B 73 -9.382 -1.266 -14.145 1.00 35.02 C ATOM 1289 OG1 THR B 73 -9.686 -1.291 -15.550 1.00 51.21 O ATOM 1290 CG2 THR B 73 -9.979 0.005 -13.519 1.00 53.41 C ATOM 0 H THR B 73 -7.988 -2.855 -15.388 1.00 32.52 H new ATOM 0 HA THR B 73 -7.369 -0.409 -14.245 1.00 12.51 H new ATOM 0 HB THR B 73 -9.826 -2.125 -13.642 1.00 35.02 H new ATOM 0 HG1 THR B 73 -10.657 -1.240 -15.676 1.00 51.21 H new ATOM 0 HG21 THR B 73 -11.057 0.020 -13.683 1.00 53.41 H new ATOM 0 HG22 THR B 73 -9.774 0.014 -12.448 1.00 53.41 H new ATOM 0 HG23 THR B 73 -9.530 0.884 -13.982 1.00 53.41 H new ATOM 1298 N TYR B 74 -7.742 -2.832 -12.005 1.00 1.11 N ATOM 1299 CA TYR B 74 -7.498 -3.273 -10.625 1.00 24.44 C ATOM 1300 C TYR B 74 -6.002 -3.645 -10.394 1.00 22.14 C ATOM 1301 O TYR B 74 -5.505 -3.595 -9.265 1.00 72.45 O ATOM 1302 CB TYR B 74 -8.435 -4.468 -10.320 1.00 41.32 C ATOM 1303 CG TYR B 74 -8.355 -4.954 -8.877 1.00 22.42 C ATOM 1304 CD1 TYR B 74 -8.743 -4.124 -7.832 1.00 44.11 C ATOM 1305 CD2 TYR B 74 -7.870 -6.221 -8.559 1.00 52.01 C ATOM 1306 CE1 TYR B 74 -8.632 -4.533 -6.532 1.00 15.32 C ATOM 1307 CE2 TYR B 74 -7.769 -6.636 -7.255 1.00 13.22 C ATOM 1308 CZ TYR B 74 -8.151 -5.788 -6.243 1.00 45.31 C ATOM 1309 OH TYR B 74 -8.017 -6.182 -4.933 1.00 14.21 O ATOM 0 H TYR B 74 -8.117 -3.568 -12.603 1.00 1.11 H new ATOM 0 HA TYR B 74 -7.716 -2.454 -9.940 1.00 24.44 H new ATOM 0 HB2 TYR B 74 -9.462 -4.179 -10.541 1.00 41.32 H new ATOM 0 HB3 TYR B 74 -8.186 -5.293 -10.987 1.00 41.32 H new ATOM 0 HD1 TYR B 74 -9.138 -3.143 -8.050 1.00 44.11 H new ATOM 0 HD2 TYR B 74 -7.568 -6.888 -9.353 1.00 52.01 H new ATOM 0 HE1 TYR B 74 -8.923 -3.869 -5.731 1.00 15.32 H new ATOM 0 HE2 TYR B 74 -7.392 -7.622 -7.026 1.00 13.22 H new ATOM 0 HH TYR B 74 -8.464 -5.534 -4.349 1.00 14.21 H new ATOM 1319 N THR B 75 -5.300 -4.006 -11.487 1.00 72.11 N ATOM 1320 CA THR B 75 -3.866 -4.367 -11.458 1.00 21.42 C ATOM 1321 C THR B 75 -2.998 -3.099 -11.242 1.00 32.52 C ATOM 1322 O THR B 75 -1.845 -3.201 -10.801 1.00 24.31 O ATOM 1323 CB THR B 75 -3.455 -5.123 -12.772 1.00 71.14 C ATOM 1324 OG1 THR B 75 -4.329 -6.251 -12.965 1.00 22.42 O ATOM 1325 CG2 THR B 75 -1.992 -5.628 -12.758 1.00 4.03 C ATOM 0 H THR B 75 -5.712 -4.056 -12.419 1.00 72.11 H new ATOM 0 HA THR B 75 -3.693 -5.044 -10.621 1.00 21.42 H new ATOM 0 HB THR B 75 -3.543 -4.404 -13.586 1.00 71.14 H new ATOM 0 HG1 THR B 75 -5.244 -5.934 -13.113 1.00 22.42 H new ATOM 0 HG21 THR B 75 -1.775 -6.141 -13.695 1.00 4.03 H new ATOM 0 HG22 THR B 75 -1.316 -4.781 -12.643 1.00 4.03 H new ATOM 0 HG23 THR B 75 -1.853 -6.319 -11.926 1.00 4.03 H new ATOM 1333 N ASP B 76 -3.590 -1.905 -11.509 1.00 24.13 N ATOM 1334 CA ASP B 76 -2.968 -0.604 -11.191 1.00 22.33 C ATOM 1335 C ASP B 76 -2.671 -0.528 -9.690 1.00 44.01 C ATOM 1336 O ASP B 76 -1.568 -0.181 -9.292 1.00 64.44 O ATOM 1337 CB ASP B 76 -3.888 0.576 -11.613 1.00 61.41 C ATOM 1338 CG ASP B 76 -3.284 1.961 -11.288 1.00 11.30 C ATOM 1339 OD1 ASP B 76 -2.198 2.278 -11.806 1.00 61.22 O ATOM 1340 OD2 ASP B 76 -3.895 2.755 -10.547 1.00 44.40 O ATOM 0 H ASP B 76 -4.507 -1.824 -11.948 1.00 24.13 H new ATOM 0 HA ASP B 76 -2.037 -0.522 -11.751 1.00 22.33 H new ATOM 0 HB2 ASP B 76 -4.082 0.513 -12.684 1.00 61.41 H new ATOM 0 HB3 ASP B 76 -4.849 0.478 -11.109 1.00 61.41 H new ATOM 1345 N LEU B 77 -3.673 -0.941 -8.885 1.00 63.20 N ATOM 1346 CA LEU B 77 -3.597 -0.980 -7.416 1.00 51.05 C ATOM 1347 C LEU B 77 -2.438 -1.871 -6.946 1.00 64.34 C ATOM 1348 O LEU B 77 -1.654 -1.461 -6.095 1.00 63.33 O ATOM 1349 CB LEU B 77 -4.953 -1.470 -6.848 1.00 64.15 C ATOM 1350 CG LEU B 77 -5.047 -1.644 -5.300 1.00 34.24 C ATOM 1351 CD1 LEU B 77 -4.660 -0.355 -4.542 1.00 51.13 C ATOM 1352 CD2 LEU B 77 -6.452 -2.120 -4.907 1.00 62.24 C ATOM 0 H LEU B 77 -4.571 -1.261 -9.248 1.00 63.20 H new ATOM 0 HA LEU B 77 -3.399 0.024 -7.040 1.00 51.05 H new ATOM 0 HB2 LEU B 77 -5.725 -0.766 -7.158 1.00 64.15 H new ATOM 0 HB3 LEU B 77 -5.190 -2.427 -7.312 1.00 64.15 H new ATOM 0 HG LEU B 77 -4.323 -2.405 -5.007 1.00 34.24 H new ATOM 0 HD11 LEU B 77 -4.741 -0.526 -3.469 1.00 51.13 H new ATOM 0 HD12 LEU B 77 -3.634 -0.081 -4.789 1.00 51.13 H new ATOM 0 HD13 LEU B 77 -5.331 0.453 -4.832 1.00 51.13 H new ATOM 0 HD21 LEU B 77 -6.507 -2.238 -3.825 1.00 62.24 H new ATOM 0 HD22 LEU B 77 -7.189 -1.384 -5.229 1.00 62.24 H new ATOM 0 HD23 LEU B 77 -6.660 -3.076 -5.387 1.00 62.24 H new ATOM 1364 N LEU B 78 -2.322 -3.063 -7.567 1.00 22.35 N ATOM 1365 CA LEU B 78 -1.235 -4.029 -7.304 1.00 52.42 C ATOM 1366 C LEU B 78 0.144 -3.390 -7.602 1.00 5.42 C ATOM 1367 O LEU B 78 1.114 -3.604 -6.869 1.00 32.04 O ATOM 1368 CB LEU B 78 -1.442 -5.283 -8.194 1.00 43.42 C ATOM 1369 CG LEU B 78 -0.500 -6.499 -7.932 1.00 31.54 C ATOM 1370 CD1 LEU B 78 -0.731 -7.124 -6.532 1.00 31.03 C ATOM 1371 CD2 LEU B 78 -0.651 -7.547 -9.046 1.00 13.34 C ATOM 0 H LEU B 78 -2.986 -3.385 -8.271 1.00 22.35 H new ATOM 0 HA LEU B 78 -1.259 -4.316 -6.253 1.00 52.42 H new ATOM 0 HB2 LEU B 78 -2.472 -5.619 -8.072 1.00 43.42 H new ATOM 0 HB3 LEU B 78 -1.326 -4.983 -9.235 1.00 43.42 H new ATOM 0 HG LEU B 78 0.526 -6.131 -7.944 1.00 31.54 H new ATOM 0 HD11 LEU B 78 -0.054 -7.967 -6.394 1.00 31.03 H new ATOM 0 HD12 LEU B 78 -0.540 -6.375 -5.763 1.00 31.03 H new ATOM 0 HD13 LEU B 78 -1.762 -7.470 -6.454 1.00 31.03 H new ATOM 0 HD21 LEU B 78 0.013 -8.388 -8.847 1.00 13.34 H new ATOM 0 HD22 LEU B 78 -1.682 -7.899 -9.077 1.00 13.34 H new ATOM 0 HD23 LEU B 78 -0.391 -7.099 -10.005 1.00 13.34 H new ATOM 1383 N SER B 79 0.184 -2.569 -8.670 1.00 64.52 N ATOM 1384 CA SER B 79 1.406 -1.874 -9.108 1.00 65.33 C ATOM 1385 C SER B 79 1.794 -0.753 -8.131 1.00 4.13 C ATOM 1386 O SER B 79 2.976 -0.477 -7.952 1.00 34.14 O ATOM 1387 CB SER B 79 1.223 -1.307 -10.520 1.00 2.23 C ATOM 1388 OG SER B 79 0.778 -2.318 -11.397 1.00 10.22 O ATOM 0 H SER B 79 -0.630 -2.371 -9.251 1.00 64.52 H new ATOM 0 HA SER B 79 2.216 -2.603 -9.122 1.00 65.33 H new ATOM 0 HB2 SER B 79 0.503 -0.489 -10.501 1.00 2.23 H new ATOM 0 HB3 SER B 79 2.166 -0.893 -10.879 1.00 2.23 H new ATOM 0 HG SER B 79 -0.142 -2.567 -11.169 1.00 10.22 H new ATOM 1394 N VAL B 80 0.792 -0.122 -7.499 1.00 14.42 N ATOM 1395 CA VAL B 80 1.034 0.912 -6.480 1.00 73.22 C ATOM 1396 C VAL B 80 1.664 0.269 -5.237 1.00 62.42 C ATOM 1397 O VAL B 80 2.584 0.838 -4.646 1.00 14.21 O ATOM 1398 CB VAL B 80 -0.274 1.684 -6.067 1.00 73.25 C ATOM 1399 CG1 VAL B 80 0.044 2.843 -5.101 1.00 20.52 C ATOM 1400 CG2 VAL B 80 -1.027 2.200 -7.303 1.00 52.01 C ATOM 0 H VAL B 80 -0.195 -0.310 -7.676 1.00 14.42 H new ATOM 0 HA VAL B 80 1.712 1.643 -6.920 1.00 73.22 H new ATOM 0 HB VAL B 80 -0.921 0.978 -5.546 1.00 73.25 H new ATOM 0 HG11 VAL B 80 -0.879 3.357 -4.834 1.00 20.52 H new ATOM 0 HG12 VAL B 80 0.513 2.447 -4.200 1.00 20.52 H new ATOM 0 HG13 VAL B 80 0.723 3.545 -5.586 1.00 20.52 H new ATOM 0 HG21 VAL B 80 -1.926 2.729 -6.987 1.00 52.01 H new ATOM 0 HG22 VAL B 80 -0.384 2.879 -7.863 1.00 52.01 H new ATOM 0 HG23 VAL B 80 -1.305 1.358 -7.937 1.00 52.01 H new ATOM 1410 N ILE B 81 1.159 -0.935 -4.873 1.00 75.15 N ATOM 1411 CA ILE B 81 1.648 -1.709 -3.713 1.00 31.01 C ATOM 1412 C ILE B 81 3.174 -1.941 -3.789 1.00 11.01 C ATOM 1413 O ILE B 81 3.919 -1.522 -2.902 1.00 51.14 O ATOM 1414 CB ILE B 81 0.904 -3.093 -3.558 1.00 2.54 C ATOM 1415 CG1 ILE B 81 -0.657 -2.935 -3.517 1.00 2.32 C ATOM 1416 CG2 ILE B 81 1.405 -3.835 -2.310 1.00 21.31 C ATOM 1417 CD1 ILE B 81 -1.214 -1.991 -2.456 1.00 2.40 C ATOM 0 H ILE B 81 0.401 -1.394 -5.378 1.00 75.15 H new ATOM 0 HA ILE B 81 1.426 -1.107 -2.832 1.00 31.01 H new ATOM 0 HB ILE B 81 1.140 -3.684 -4.443 1.00 2.54 H new ATOM 0 HG12 ILE B 81 -0.991 -2.586 -4.494 1.00 2.32 H new ATOM 0 HG13 ILE B 81 -1.097 -3.920 -3.363 1.00 2.32 H new ATOM 0 HG21 ILE B 81 0.882 -4.787 -2.218 1.00 21.31 H new ATOM 0 HG22 ILE B 81 2.476 -4.017 -2.400 1.00 21.31 H new ATOM 0 HG23 ILE B 81 1.213 -3.229 -1.425 1.00 21.31 H new ATOM 0 HD11 ILE B 81 -2.301 -1.965 -2.527 1.00 2.40 H new ATOM 0 HD12 ILE B 81 -0.923 -2.344 -1.466 1.00 2.40 H new ATOM 0 HD13 ILE B 81 -0.816 -0.989 -2.616 1.00 2.40 H new ATOM 1429 N GLU B 82 3.623 -2.564 -4.893 1.00 4.21 N ATOM 1430 CA GLU B 82 5.045 -2.916 -5.105 1.00 12.33 C ATOM 1431 C GLU B 82 5.939 -1.658 -5.191 1.00 24.10 C ATOM 1432 O GLU B 82 7.094 -1.687 -4.739 1.00 34.12 O ATOM 1433 CB GLU B 82 5.191 -3.758 -6.391 1.00 73.01 C ATOM 1434 CG GLU B 82 4.636 -3.061 -7.645 1.00 0.42 C ATOM 1435 CD GLU B 82 4.776 -3.881 -8.921 1.00 2.22 C ATOM 1436 OE1 GLU B 82 5.899 -3.950 -9.455 1.00 32.11 O ATOM 1437 OE2 GLU B 82 3.775 -4.464 -9.395 1.00 43.34 O ATOM 0 H GLU B 82 3.014 -2.839 -5.664 1.00 4.21 H new ATOM 0 HA GLU B 82 5.377 -3.500 -4.246 1.00 12.33 H new ATOM 0 HB2 GLU B 82 6.245 -3.987 -6.548 1.00 73.01 H new ATOM 0 HB3 GLU B 82 4.675 -4.708 -6.254 1.00 73.01 H new ATOM 0 HG2 GLU B 82 3.582 -2.833 -7.485 1.00 0.42 H new ATOM 0 HG3 GLU B 82 5.151 -2.110 -7.778 1.00 0.42 H new ATOM 1444 N GLU B 83 5.383 -0.562 -5.772 1.00 32.05 N ATOM 1445 CA GLU B 83 6.079 0.737 -5.855 1.00 13.13 C ATOM 1446 C GLU B 83 6.370 1.265 -4.453 1.00 23.23 C ATOM 1447 O GLU B 83 7.513 1.583 -4.152 1.00 51.24 O ATOM 1448 CB GLU B 83 5.269 1.770 -6.679 1.00 74.13 C ATOM 1449 CG GLU B 83 5.349 1.575 -8.205 1.00 5.54 C ATOM 1450 CD GLU B 83 4.511 2.608 -8.968 1.00 52.03 C ATOM 1451 OE1 GLU B 83 4.841 3.819 -8.907 1.00 52.32 O ATOM 1452 OE2 GLU B 83 3.506 2.232 -9.609 1.00 65.43 O ATOM 0 H GLU B 83 4.452 -0.559 -6.189 1.00 32.05 H new ATOM 0 HA GLU B 83 7.024 0.581 -6.376 1.00 13.13 H new ATOM 0 HB2 GLU B 83 4.224 1.720 -6.374 1.00 74.13 H new ATOM 0 HB3 GLU B 83 5.625 2.771 -6.434 1.00 74.13 H new ATOM 0 HG2 GLU B 83 6.389 1.647 -8.524 1.00 5.54 H new ATOM 0 HG3 GLU B 83 5.006 0.572 -8.460 1.00 5.54 H new ATOM 1459 N MET B 84 5.336 1.297 -3.587 1.00 21.20 N ATOM 1460 CA MET B 84 5.486 1.695 -2.173 1.00 54.52 C ATOM 1461 C MET B 84 6.582 0.857 -1.499 1.00 10.35 C ATOM 1462 O MET B 84 7.442 1.399 -0.810 1.00 72.42 O ATOM 1463 CB MET B 84 4.141 1.555 -1.403 1.00 72.21 C ATOM 1464 CG MET B 84 3.010 2.441 -1.929 1.00 64.40 C ATOM 1465 SD MET B 84 1.509 2.363 -0.920 1.00 11.52 S ATOM 1466 CE MET B 84 1.068 0.631 -0.970 1.00 75.34 C ATOM 0 H MET B 84 4.381 1.050 -3.846 1.00 21.20 H new ATOM 0 HA MET B 84 5.778 2.745 -2.145 1.00 54.52 H new ATOM 0 HB2 MET B 84 3.820 0.514 -1.446 1.00 72.21 H new ATOM 0 HB3 MET B 84 4.312 1.792 -0.353 1.00 72.21 H new ATOM 0 HG2 MET B 84 3.357 3.473 -1.972 1.00 64.40 H new ATOM 0 HG3 MET B 84 2.769 2.143 -2.949 1.00 64.40 H new ATOM 0 HE1 MET B 84 0.262 0.440 -0.261 1.00 75.34 H new ATOM 0 HE2 MET B 84 0.737 0.369 -1.975 1.00 75.34 H new ATOM 0 HE3 MET B 84 1.936 0.027 -0.704 1.00 75.34 H new ATOM 1476 N GLY B 85 6.567 -0.458 -1.798 1.00 22.41 N ATOM 1477 CA GLY B 85 7.506 -1.426 -1.235 1.00 65.13 C ATOM 1478 C GLY B 85 8.977 -1.104 -1.491 1.00 75.34 C ATOM 1479 O GLY B 85 9.834 -1.417 -0.658 1.00 52.21 O ATOM 0 H GLY B 85 5.894 -0.872 -2.443 1.00 22.41 H new ATOM 0 HA2 GLY B 85 7.343 -1.488 -0.159 1.00 65.13 H new ATOM 0 HA3 GLY B 85 7.285 -2.410 -1.648 1.00 65.13 H new ATOM 1483 N LYS B 86 9.267 -0.463 -2.636 1.00 23.23 N ATOM 1484 CA LYS B 86 10.652 -0.116 -3.019 1.00 44.03 C ATOM 1485 C LYS B 86 10.995 1.328 -2.609 1.00 34.21 C ATOM 1486 O LYS B 86 12.178 1.677 -2.533 1.00 73.11 O ATOM 1487 CB LYS B 86 10.893 -0.353 -4.544 1.00 10.40 C ATOM 1488 CG LYS B 86 10.047 0.520 -5.484 1.00 1.32 C ATOM 1489 CD LYS B 86 10.289 0.230 -6.979 1.00 42.50 C ATOM 1490 CE LYS B 86 9.480 1.165 -7.899 1.00 43.14 C ATOM 1491 NZ LYS B 86 9.892 2.588 -7.756 1.00 3.44 N ATOM 0 H LYS B 86 8.563 -0.173 -3.315 1.00 23.23 H new ATOM 0 HA LYS B 86 11.326 -0.779 -2.476 1.00 44.03 H new ATOM 0 HB2 LYS B 86 11.947 -0.177 -4.761 1.00 10.40 H new ATOM 0 HB3 LYS B 86 10.692 -1.401 -4.769 1.00 10.40 H new ATOM 0 HG2 LYS B 86 8.992 0.365 -5.259 1.00 1.32 H new ATOM 0 HG3 LYS B 86 10.265 1.569 -5.286 1.00 1.32 H new ATOM 0 HD2 LYS B 86 11.351 0.338 -7.200 1.00 42.50 H new ATOM 0 HD3 LYS B 86 10.023 -0.805 -7.193 1.00 42.50 H new ATOM 0 HE2 LYS B 86 9.609 0.853 -8.935 1.00 43.14 H new ATOM 0 HE3 LYS B 86 8.419 1.071 -7.668 1.00 43.14 H new ATOM 0 HZ1 LYS B 86 9.358 3.173 -8.429 1.00 3.44 H new ATOM 0 HZ2 LYS B 86 9.697 2.910 -6.786 1.00 3.44 H new ATOM 0 HZ3 LYS B 86 10.909 2.676 -7.952 1.00 3.44 H new ATOM 1505 N GLU B 87 9.964 2.168 -2.326 1.00 75.10 N ATOM 1506 CA GLU B 87 10.188 3.540 -1.811 1.00 62.43 C ATOM 1507 C GLU B 87 10.500 3.511 -0.299 1.00 34.15 C ATOM 1508 O GLU B 87 10.997 4.498 0.238 1.00 32.35 O ATOM 1509 CB GLU B 87 8.969 4.486 -2.066 1.00 23.41 C ATOM 1510 CG GLU B 87 8.339 4.453 -3.473 1.00 4.14 C ATOM 1511 CD GLU B 87 9.307 4.667 -4.663 1.00 44.23 C ATOM 1512 OE1 GLU B 87 10.038 3.734 -5.035 1.00 12.35 O ATOM 1513 OE2 GLU B 87 9.294 5.752 -5.277 1.00 64.21 O ATOM 0 H GLU B 87 8.982 1.920 -2.445 1.00 75.10 H new ATOM 0 HA GLU B 87 11.041 3.938 -2.360 1.00 62.43 H new ATOM 0 HB2 GLU B 87 8.193 4.241 -1.341 1.00 23.41 H new ATOM 0 HB3 GLU B 87 9.285 5.509 -1.860 1.00 23.41 H new ATOM 0 HG2 GLU B 87 7.844 3.491 -3.604 1.00 4.14 H new ATOM 0 HG3 GLU B 87 7.565 5.219 -3.519 1.00 4.14 H new ATOM 1520 N ILE B 88 10.216 2.367 0.365 1.00 34.00 N ATOM 1521 CA ILE B 88 10.426 2.175 1.820 1.00 42.11 C ATOM 1522 C ILE B 88 11.910 2.324 2.200 1.00 65.30 C ATOM 1523 O ILE B 88 12.236 2.975 3.194 1.00 11.32 O ATOM 1524 CB ILE B 88 9.917 0.756 2.289 1.00 62.22 C ATOM 1525 CG1 ILE B 88 8.392 0.624 2.043 1.00 62.14 C ATOM 1526 CG2 ILE B 88 10.273 0.471 3.777 1.00 42.21 C ATOM 1527 CD1 ILE B 88 7.822 -0.746 2.320 1.00 32.11 C ATOM 0 H ILE B 88 9.831 1.543 -0.098 1.00 34.00 H new ATOM 0 HA ILE B 88 9.849 2.950 2.324 1.00 42.11 H new ATOM 0 HB ILE B 88 10.433 0.004 1.692 1.00 62.22 H new ATOM 0 HG12 ILE B 88 7.873 1.351 2.668 1.00 62.14 H new ATOM 0 HG13 ILE B 88 8.181 0.887 1.006 1.00 62.14 H new ATOM 0 HG21 ILE B 88 9.904 -0.516 4.057 1.00 42.21 H new ATOM 0 HG22 ILE B 88 11.355 0.503 3.905 1.00 42.21 H new ATOM 0 HG23 ILE B 88 9.810 1.225 4.413 1.00 42.21 H new ATOM 0 HD11 ILE B 88 6.751 -0.742 2.120 1.00 32.11 H new ATOM 0 HD12 ILE B 88 8.308 -1.479 1.677 1.00 32.11 H new ATOM 0 HD13 ILE B 88 7.995 -1.008 3.364 1.00 32.11 H new ATOM 1539 N ARG B 89 12.792 1.701 1.398 1.00 42.42 N ATOM 1540 CA ARG B 89 14.235 1.638 1.682 1.00 63.42 C ATOM 1541 C ARG B 89 14.897 3.056 1.681 1.00 25.45 C ATOM 1542 O ARG B 89 15.536 3.411 2.683 1.00 11.10 O ATOM 1543 CB ARG B 89 14.921 0.659 0.690 1.00 12.42 C ATOM 1544 CG ARG B 89 16.429 0.450 0.907 1.00 32.32 C ATOM 1545 CD ARG B 89 17.045 -0.506 -0.129 1.00 25.53 C ATOM 1546 NE ARG B 89 18.405 -0.928 0.257 1.00 41.42 N ATOM 1547 CZ ARG B 89 19.041 -2.003 -0.225 1.00 25.54 C ATOM 1548 NH1 ARG B 89 18.463 -2.795 -1.129 1.00 31.55 N ATOM 1549 NH2 ARG B 89 20.252 -2.302 0.224 1.00 34.42 N ATOM 0 H ARG B 89 12.524 1.228 0.535 1.00 42.42 H new ATOM 0 HA ARG B 89 14.375 1.251 2.691 1.00 63.42 H new ATOM 0 HB2 ARG B 89 14.424 -0.309 0.758 1.00 12.42 H new ATOM 0 HB3 ARG B 89 14.765 1.027 -0.324 1.00 12.42 H new ATOM 0 HG2 ARG B 89 16.937 1.413 0.856 1.00 32.32 H new ATOM 0 HG3 ARG B 89 16.597 0.053 1.908 1.00 32.32 H new ATOM 0 HD2 ARG B 89 16.409 -1.384 -0.237 1.00 25.53 H new ATOM 0 HD3 ARG B 89 17.079 -0.015 -1.102 1.00 25.53 H new ATOM 0 HE ARG B 89 18.898 -0.357 0.943 1.00 41.42 H new ATOM 0 HH11 ARG B 89 17.522 -2.586 -1.463 1.00 31.55 H new ATOM 0 HH12 ARG B 89 18.962 -3.610 -1.486 1.00 31.55 H new ATOM 0 HH21 ARG B 89 20.693 -1.715 0.932 1.00 34.42 H new ATOM 0 HH22 ARG B 89 20.743 -3.119 -0.138 1.00 34.42 H new ATOM 1563 N PRO B 90 14.762 3.904 0.592 1.00 63.51 N ATOM 1564 CA PRO B 90 15.299 5.287 0.613 1.00 2.04 C ATOM 1565 C PRO B 90 14.589 6.187 1.661 1.00 4.35 C ATOM 1566 O PRO B 90 15.243 7.040 2.260 1.00 33.13 O ATOM 1567 CB PRO B 90 15.124 5.780 -0.848 1.00 50.24 C ATOM 1568 CG PRO B 90 14.030 4.931 -1.413 1.00 41.24 C ATOM 1569 CD PRO B 90 14.151 3.590 -0.733 1.00 43.55 C ATOM 0 HA PRO B 90 16.342 5.326 0.927 1.00 2.04 H new ATOM 0 HB2 PRO B 90 14.860 6.837 -0.879 1.00 50.24 H new ATOM 0 HB3 PRO B 90 16.047 5.665 -1.417 1.00 50.24 H new ATOM 0 HG2 PRO B 90 13.053 5.377 -1.225 1.00 41.24 H new ATOM 0 HG3 PRO B 90 14.132 4.831 -2.494 1.00 41.24 H new ATOM 0 HD2 PRO B 90 13.178 3.112 -0.619 1.00 43.55 H new ATOM 0 HD3 PRO B 90 14.776 2.907 -1.308 1.00 43.55 H new ATOM 1577 N THR B 91 13.269 5.968 1.904 1.00 14.51 N ATOM 1578 CA THR B 91 12.521 6.658 2.995 1.00 61.24 C ATOM 1579 C THR B 91 13.205 6.414 4.361 1.00 21.10 C ATOM 1580 O THR B 91 13.496 7.356 5.111 1.00 3.33 O ATOM 1581 CB THR B 91 11.032 6.174 3.054 1.00 71.32 C ATOM 1582 OG1 THR B 91 10.363 6.570 1.855 1.00 33.23 O ATOM 1583 CG2 THR B 91 10.262 6.723 4.274 1.00 72.24 C ATOM 0 H THR B 91 12.699 5.320 1.360 1.00 14.51 H new ATOM 0 HA THR B 91 12.529 7.726 2.777 1.00 61.24 H new ATOM 0 HB THR B 91 11.051 5.089 3.154 1.00 71.32 H new ATOM 0 HG1 THR B 91 10.484 5.880 1.170 1.00 33.23 H new ATOM 0 HG21 THR B 91 9.238 6.350 4.256 1.00 72.24 H new ATOM 0 HG22 THR B 91 10.751 6.394 5.191 1.00 72.24 H new ATOM 0 HG23 THR B 91 10.253 7.812 4.238 1.00 72.24 H new ATOM 1591 N TYR B 92 13.489 5.130 4.633 1.00 31.14 N ATOM 1592 CA TYR B 92 14.164 4.672 5.852 1.00 13.11 C ATOM 1593 C TYR B 92 15.600 5.220 5.931 1.00 23.21 C ATOM 1594 O TYR B 92 16.136 5.404 7.024 1.00 73.03 O ATOM 1595 CB TYR B 92 14.164 3.116 5.913 1.00 72.12 C ATOM 1596 CG TYR B 92 14.746 2.540 7.210 1.00 54.22 C ATOM 1597 CD1 TYR B 92 14.063 2.668 8.419 1.00 40.04 C ATOM 1598 CD2 TYR B 92 15.981 1.880 7.234 1.00 42.01 C ATOM 1599 CE1 TYR B 92 14.579 2.161 9.587 1.00 63.52 C ATOM 1600 CE2 TYR B 92 16.499 1.375 8.408 1.00 41.44 C ATOM 1601 CZ TYR B 92 15.797 1.518 9.581 1.00 50.50 C ATOM 1602 OH TYR B 92 16.314 1.017 10.752 1.00 1.11 O ATOM 0 H TYR B 92 13.250 4.369 3.998 1.00 31.14 H new ATOM 0 HA TYR B 92 13.615 5.056 6.712 1.00 13.11 H new ATOM 0 HB2 TYR B 92 13.141 2.759 5.796 1.00 72.12 H new ATOM 0 HB3 TYR B 92 14.735 2.730 5.068 1.00 72.12 H new ATOM 0 HD1 TYR B 92 13.110 3.176 8.438 1.00 40.04 H new ATOM 0 HD2 TYR B 92 16.538 1.764 6.316 1.00 42.01 H new ATOM 0 HE1 TYR B 92 14.029 2.267 10.511 1.00 63.52 H new ATOM 0 HE2 TYR B 92 17.453 0.869 8.406 1.00 41.44 H new ATOM 0 HH TYR B 92 17.179 0.593 10.573 1.00 1.11 H new ATOM 1612 N ALA B 93 16.204 5.491 4.761 1.00 24.41 N ATOM 1613 CA ALA B 93 17.566 6.042 4.660 1.00 71.22 C ATOM 1614 C ALA B 93 17.586 7.576 4.822 1.00 0.53 C ATOM 1615 O ALA B 93 18.648 8.197 4.726 1.00 14.10 O ATOM 1616 CB ALA B 93 18.176 5.626 3.318 1.00 24.10 C ATOM 0 H ALA B 93 15.760 5.333 3.856 1.00 24.41 H new ATOM 0 HA ALA B 93 18.163 5.637 5.477 1.00 71.22 H new ATOM 0 HB1 ALA B 93 19.185 6.030 3.236 1.00 24.10 H new ATOM 0 HB2 ALA B 93 18.215 4.538 3.258 1.00 24.10 H new ATOM 0 HB3 ALA B 93 17.563 6.013 2.504 1.00 24.10 H new ATOM 1622 N GLY B 94 16.406 8.185 5.081 1.00 70.42 N ATOM 1623 CA GLY B 94 16.294 9.632 5.312 1.00 43.43 C ATOM 1624 C GLY B 94 16.056 10.471 4.056 1.00 5.15 C ATOM 1625 O GLY B 94 16.140 11.700 4.123 1.00 71.33 O ATOM 0 H GLY B 94 15.517 7.688 5.134 1.00 70.42 H new ATOM 0 HA2 GLY B 94 15.476 9.811 6.010 1.00 43.43 H new ATOM 0 HA3 GLY B 94 17.207 9.979 5.795 1.00 43.43 H new ATOM 1629 N SER B 95 15.760 9.824 2.915 1.00 31.51 N ATOM 1630 CA SER B 95 15.407 10.523 1.656 1.00 45.15 C ATOM 1631 C SER B 95 13.941 11.037 1.681 1.00 53.40 C ATOM 1632 O SER B 95 13.001 10.235 1.609 1.00 1.41 O ATOM 1633 CB SER B 95 15.617 9.570 0.456 1.00 72.40 C ATOM 1634 OG SER B 95 16.929 9.041 0.442 1.00 3.41 O ATOM 0 H SER B 95 15.757 8.807 2.834 1.00 31.51 H new ATOM 0 HA SER B 95 16.060 11.390 1.554 1.00 45.15 H new ATOM 0 HB2 SER B 95 14.895 8.755 0.506 1.00 72.40 H new ATOM 0 HB3 SER B 95 15.429 10.106 -0.474 1.00 72.40 H new ATOM 0 HG SER B 95 17.032 8.441 -0.326 1.00 3.41 H new ATOM 1640 N LYS B 96 13.775 12.376 1.821 1.00 34.43 N ATOM 1641 CA LYS B 96 12.452 13.054 1.891 1.00 74.41 C ATOM 1642 C LYS B 96 11.609 12.928 0.602 1.00 72.20 C ATOM 1643 O LYS B 96 10.389 12.795 0.682 1.00 72.22 O ATOM 1644 CB LYS B 96 12.648 14.551 2.257 1.00 43.12 C ATOM 1645 CG LYS B 96 13.523 15.363 1.269 1.00 43.43 C ATOM 1646 CD LYS B 96 13.844 16.794 1.781 1.00 15.15 C ATOM 1647 CE LYS B 96 12.590 17.666 1.994 1.00 14.42 C ATOM 1648 NZ LYS B 96 12.932 18.984 2.607 1.00 62.02 N ATOM 0 H LYS B 96 14.561 13.023 1.889 1.00 34.43 H new ATOM 0 HA LYS B 96 11.886 12.540 2.668 1.00 74.41 H new ATOM 0 HB2 LYS B 96 11.668 15.024 2.322 1.00 43.12 H new ATOM 0 HB3 LYS B 96 13.097 14.610 3.248 1.00 43.12 H new ATOM 0 HG2 LYS B 96 14.456 14.828 1.093 1.00 43.43 H new ATOM 0 HG3 LYS B 96 13.010 15.432 0.310 1.00 43.43 H new ATOM 0 HD2 LYS B 96 14.390 16.721 2.721 1.00 15.15 H new ATOM 0 HD3 LYS B 96 14.503 17.288 1.067 1.00 15.15 H new ATOM 0 HE2 LYS B 96 12.092 17.827 1.038 1.00 14.42 H new ATOM 0 HE3 LYS B 96 11.884 17.138 2.636 1.00 14.42 H new ATOM 0 HZ1 LYS B 96 12.064 19.543 2.735 1.00 62.02 H new ATOM 0 HZ2 LYS B 96 13.384 18.830 3.531 1.00 62.02 H new ATOM 0 HZ3 LYS B 96 13.586 19.498 1.983 1.00 62.02 H new ATOM 1662 N SER B 97 12.257 13.003 -0.570 1.00 33.02 N ATOM 1663 CA SER B 97 11.573 12.884 -1.874 1.00 1.34 C ATOM 1664 C SER B 97 11.029 11.457 -2.094 1.00 1.23 C ATOM 1665 O SER B 97 9.952 11.283 -2.666 1.00 42.14 O ATOM 1666 CB SER B 97 12.524 13.290 -3.018 1.00 63.30 C ATOM 1667 OG SER B 97 12.940 14.640 -2.878 1.00 63.12 O ATOM 0 H SER B 97 13.264 13.147 -0.645 1.00 33.02 H new ATOM 0 HA SER B 97 10.721 13.564 -1.872 1.00 1.34 H new ATOM 0 HB2 SER B 97 13.396 12.635 -3.021 1.00 63.30 H new ATOM 0 HB3 SER B 97 12.023 13.158 -3.977 1.00 63.30 H new ATOM 0 HG SER B 97 13.544 14.874 -3.614 1.00 63.12 H new ATOM 1673 N ALA B 98 11.794 10.444 -1.648 1.00 24.42 N ATOM 1674 CA ALA B 98 11.357 9.039 -1.654 1.00 50.53 C ATOM 1675 C ALA B 98 10.246 8.792 -0.623 1.00 31.33 C ATOM 1676 O ALA B 98 9.385 7.935 -0.823 1.00 60.41 O ATOM 1677 CB ALA B 98 12.544 8.133 -1.378 1.00 23.14 C ATOM 0 H ALA B 98 12.733 10.578 -1.273 1.00 24.42 H new ATOM 0 HA ALA B 98 10.949 8.812 -2.639 1.00 50.53 H new ATOM 0 HB1 ALA B 98 12.217 7.093 -1.383 1.00 23.14 H new ATOM 0 HB2 ALA B 98 13.300 8.279 -2.149 1.00 23.14 H new ATOM 0 HB3 ALA B 98 12.968 8.375 -0.403 1.00 23.14 H new ATOM 1683 N MET B 99 10.301 9.548 0.491 1.00 11.43 N ATOM 1684 CA MET B 99 9.257 9.546 1.529 1.00 74.53 C ATOM 1685 C MET B 99 7.957 10.167 0.982 1.00 13.24 C ATOM 1686 O MET B 99 6.862 9.713 1.311 1.00 11.52 O ATOM 1687 CB MET B 99 9.785 10.282 2.790 1.00 14.32 C ATOM 1688 CG MET B 99 8.803 10.368 3.971 1.00 2.11 C ATOM 1689 SD MET B 99 7.556 11.658 3.773 1.00 25.33 S ATOM 1690 CE MET B 99 8.582 13.124 3.752 1.00 2.44 C ATOM 0 H MET B 99 11.076 10.180 0.695 1.00 11.43 H new ATOM 0 HA MET B 99 9.017 8.523 1.818 1.00 74.53 H new ATOM 0 HB2 MET B 99 10.690 9.779 3.130 1.00 14.32 H new ATOM 0 HB3 MET B 99 10.071 11.294 2.504 1.00 14.32 H new ATOM 0 HG2 MET B 99 8.304 9.406 4.090 1.00 2.11 H new ATOM 0 HG3 MET B 99 9.364 10.552 4.887 1.00 2.11 H new ATOM 0 HE1 MET B 99 8.001 13.980 4.094 1.00 2.44 H new ATOM 0 HE2 MET B 99 9.437 12.979 4.412 1.00 2.44 H new ATOM 0 HE3 MET B 99 8.934 13.307 2.737 1.00 2.44 H new ATOM 1700 N GLU B 100 8.114 11.179 0.103 1.00 62.41 N ATOM 1701 CA GLU B 100 6.999 11.838 -0.601 1.00 65.35 C ATOM 1702 C GLU B 100 6.397 10.882 -1.640 1.00 72.25 C ATOM 1703 O GLU B 100 5.187 10.869 -1.839 1.00 42.24 O ATOM 1704 CB GLU B 100 7.477 13.149 -1.284 1.00 64.31 C ATOM 1705 CG GLU B 100 6.362 13.918 -2.021 1.00 13.31 C ATOM 1706 CD GLU B 100 6.858 15.182 -2.726 1.00 23.43 C ATOM 1707 OE1 GLU B 100 6.929 16.254 -2.085 1.00 51.51 O ATOM 1708 OE2 GLU B 100 7.201 15.106 -3.927 1.00 61.35 O ATOM 0 H GLU B 100 9.027 11.563 -0.139 1.00 62.41 H new ATOM 0 HA GLU B 100 6.232 12.096 0.129 1.00 65.35 H new ATOM 0 HB2 GLU B 100 7.915 13.801 -0.528 1.00 64.31 H new ATOM 0 HB3 GLU B 100 8.268 12.908 -1.994 1.00 64.31 H new ATOM 0 HG2 GLU B 100 5.901 13.258 -2.756 1.00 13.31 H new ATOM 0 HG3 GLU B 100 5.586 14.191 -1.306 1.00 13.31 H new ATOM 1715 N ARG B 101 7.268 10.082 -2.276 1.00 51.25 N ATOM 1716 CA ARG B 101 6.881 9.016 -3.220 1.00 74.34 C ATOM 1717 C ARG B 101 6.104 7.896 -2.505 1.00 72.32 C ATOM 1718 O ARG B 101 5.164 7.322 -3.060 1.00 43.45 O ATOM 1719 CB ARG B 101 8.161 8.435 -3.879 1.00 1.00 C ATOM 1720 CG ARG B 101 8.578 9.087 -5.210 1.00 15.01 C ATOM 1721 CD ARG B 101 7.601 8.749 -6.360 1.00 41.24 C ATOM 1722 NE ARG B 101 8.155 9.077 -7.684 1.00 54.23 N ATOM 1723 CZ ARG B 101 8.910 8.253 -8.429 1.00 13.31 C ATOM 1724 NH1 ARG B 101 9.223 7.030 -8.002 1.00 14.40 N ATOM 1725 NH2 ARG B 101 9.345 8.658 -9.614 1.00 52.31 N ATOM 0 H ARG B 101 8.277 10.157 -2.148 1.00 51.25 H new ATOM 0 HA ARG B 101 6.228 9.441 -3.982 1.00 74.34 H new ATOM 0 HB2 ARG B 101 8.987 8.531 -3.174 1.00 1.00 H new ATOM 0 HB3 ARG B 101 8.009 7.369 -4.049 1.00 1.00 H new ATOM 0 HG2 ARG B 101 8.626 10.169 -5.083 1.00 15.01 H new ATOM 0 HG3 ARG B 101 9.580 8.753 -5.478 1.00 15.01 H new ATOM 0 HD2 ARG B 101 7.356 7.687 -6.325 1.00 41.24 H new ATOM 0 HD3 ARG B 101 6.669 9.296 -6.214 1.00 41.24 H new ATOM 0 HE ARG B 101 7.950 10.001 -8.065 1.00 54.23 H new ATOM 0 HH11 ARG B 101 8.888 6.705 -7.095 1.00 14.40 H new ATOM 0 HH12 ARG B 101 9.798 6.419 -8.582 1.00 14.40 H new ATOM 0 HH21 ARG B 101 9.106 9.589 -9.954 1.00 52.31 H new ATOM 0 HH22 ARG B 101 9.919 8.038 -10.186 1.00 52.31 H new ATOM 1739 N LEU B 102 6.535 7.587 -1.273 1.00 73.24 N ATOM 1740 CA LEU B 102 5.929 6.542 -0.443 1.00 71.11 C ATOM 1741 C LEU B 102 4.529 6.985 0.020 1.00 11.11 C ATOM 1742 O LEU B 102 3.571 6.212 -0.070 1.00 55.40 O ATOM 1743 CB LEU B 102 6.859 6.221 0.755 1.00 73.31 C ATOM 1744 CG LEU B 102 6.397 5.083 1.717 1.00 42.12 C ATOM 1745 CD1 LEU B 102 6.139 3.764 0.971 1.00 73.20 C ATOM 1746 CD2 LEU B 102 7.421 4.883 2.842 1.00 33.40 C ATOM 0 H LEU B 102 7.319 8.060 -0.824 1.00 73.24 H new ATOM 0 HA LEU B 102 5.809 5.629 -1.026 1.00 71.11 H new ATOM 0 HB2 LEU B 102 7.841 5.956 0.362 1.00 73.31 H new ATOM 0 HB3 LEU B 102 6.985 7.131 1.341 1.00 73.31 H new ATOM 0 HG LEU B 102 5.449 5.392 2.157 1.00 42.12 H new ATOM 0 HD11 LEU B 102 5.820 3.001 1.681 1.00 73.20 H new ATOM 0 HD12 LEU B 102 5.359 3.915 0.225 1.00 73.20 H new ATOM 0 HD13 LEU B 102 7.055 3.440 0.478 1.00 73.20 H new ATOM 0 HD21 LEU B 102 7.083 4.086 3.504 1.00 33.40 H new ATOM 0 HD22 LEU B 102 8.386 4.614 2.412 1.00 33.40 H new ATOM 0 HD23 LEU B 102 7.523 5.808 3.410 1.00 33.40 H new ATOM 1758 N LYS B 103 4.424 8.258 0.468 1.00 53.44 N ATOM 1759 CA LYS B 103 3.136 8.884 0.828 1.00 25.11 C ATOM 1760 C LYS B 103 2.213 8.974 -0.394 1.00 4.34 C ATOM 1761 O LYS B 103 1.024 8.703 -0.284 1.00 23.34 O ATOM 1762 CB LYS B 103 3.349 10.296 1.435 1.00 1.33 C ATOM 1763 CG LYS B 103 4.057 10.305 2.805 1.00 54.34 C ATOM 1764 CD LYS B 103 4.215 11.732 3.378 1.00 11.21 C ATOM 1765 CE LYS B 103 2.873 12.462 3.598 1.00 73.04 C ATOM 1766 NZ LYS B 103 3.071 13.888 4.000 1.00 3.52 N ATOM 0 H LYS B 103 5.227 8.875 0.589 1.00 53.44 H new ATOM 0 HA LYS B 103 2.663 8.253 1.580 1.00 25.11 H new ATOM 0 HB2 LYS B 103 3.933 10.894 0.735 1.00 1.33 H new ATOM 0 HB3 LYS B 103 2.379 10.783 1.539 1.00 1.33 H new ATOM 0 HG2 LYS B 103 3.490 9.695 3.508 1.00 54.34 H new ATOM 0 HG3 LYS B 103 5.040 9.845 2.706 1.00 54.34 H new ATOM 0 HD2 LYS B 103 4.749 11.676 4.327 1.00 11.21 H new ATOM 0 HD3 LYS B 103 4.832 12.321 2.699 1.00 11.21 H new ATOM 0 HE2 LYS B 103 2.284 12.422 2.682 1.00 73.04 H new ATOM 0 HE3 LYS B 103 2.301 11.944 4.368 1.00 73.04 H new ATOM 0 HZ1 LYS B 103 2.145 14.342 4.138 1.00 3.52 H new ATOM 0 HZ2 LYS B 103 3.611 13.927 4.888 1.00 3.52 H new ATOM 0 HZ3 LYS B 103 3.595 14.389 3.254 1.00 3.52 H new ATOM 1780 N ARG B 104 2.800 9.328 -1.556 1.00 52.21 N ATOM 1781 CA ARG B 104 2.091 9.402 -2.852 1.00 51.43 C ATOM 1782 C ARG B 104 1.466 8.047 -3.190 1.00 73.11 C ATOM 1783 O ARG B 104 0.338 7.973 -3.692 1.00 35.31 O ATOM 1784 CB ARG B 104 3.081 9.819 -3.973 1.00 32.54 C ATOM 1785 CG ARG B 104 2.480 9.876 -5.392 1.00 65.25 C ATOM 1786 CD ARG B 104 3.491 10.317 -6.464 1.00 43.01 C ATOM 1787 NE ARG B 104 2.867 10.349 -7.802 1.00 63.50 N ATOM 1788 CZ ARG B 104 2.794 11.416 -8.611 1.00 54.41 C ATOM 1789 NH1 ARG B 104 3.301 12.594 -8.247 1.00 31.54 N ATOM 1790 NH2 ARG B 104 2.191 11.301 -9.790 1.00 20.44 N ATOM 0 H ARG B 104 3.788 9.573 -1.622 1.00 52.21 H new ATOM 0 HA ARG B 104 1.299 10.147 -2.777 1.00 51.43 H new ATOM 0 HB2 ARG B 104 3.489 10.800 -3.729 1.00 32.54 H new ATOM 0 HB3 ARG B 104 3.916 9.118 -3.977 1.00 32.54 H new ATOM 0 HG2 ARG B 104 2.090 8.892 -5.653 1.00 65.25 H new ATOM 0 HG3 ARG B 104 1.635 10.565 -5.394 1.00 65.25 H new ATOM 0 HD2 ARG B 104 3.880 11.305 -6.217 1.00 43.01 H new ATOM 0 HD3 ARG B 104 4.340 9.633 -6.471 1.00 43.01 H new ATOM 0 HE ARG B 104 2.454 9.480 -8.142 1.00 63.50 H new ATOM 0 HH11 ARG B 104 3.754 12.695 -7.339 1.00 31.54 H new ATOM 0 HH12 ARG B 104 3.236 13.394 -8.877 1.00 31.54 H new ATOM 0 HH21 ARG B 104 1.789 10.407 -10.072 1.00 20.44 H new ATOM 0 HH22 ARG B 104 2.130 12.107 -10.413 1.00 20.44 H new ATOM 1804 N GLY B 105 2.230 6.983 -2.886 1.00 71.13 N ATOM 1805 CA GLY B 105 1.780 5.621 -3.070 1.00 21.21 C ATOM 1806 C GLY B 105 0.575 5.295 -2.203 1.00 33.34 C ATOM 1807 O GLY B 105 -0.403 4.753 -2.704 1.00 31.20 O ATOM 0 H GLY B 105 3.174 7.059 -2.507 1.00 71.13 H new ATOM 0 HA2 GLY B 105 1.526 5.462 -4.118 1.00 21.21 H new ATOM 0 HA3 GLY B 105 2.593 4.936 -2.832 1.00 21.21 H new ATOM 1811 N ILE B 106 0.631 5.661 -0.906 1.00 52.45 N ATOM 1812 CA ILE B 106 -0.504 5.447 0.012 1.00 50.12 C ATOM 1813 C ILE B 106 -1.743 6.270 -0.440 1.00 3.35 C ATOM 1814 O ILE B 106 -2.842 5.765 -0.368 1.00 32.44 O ATOM 1815 CB ILE B 106 -0.121 5.718 1.537 1.00 20.11 C ATOM 1816 CG1 ILE B 106 0.582 4.472 2.189 1.00 54.34 C ATOM 1817 CG2 ILE B 106 -1.345 6.130 2.402 1.00 34.01 C ATOM 1818 CD1 ILE B 106 1.972 4.140 1.701 1.00 71.14 C ATOM 0 H ILE B 106 1.443 6.102 -0.475 1.00 52.45 H new ATOM 0 HA ILE B 106 -0.770 4.391 -0.042 1.00 50.12 H new ATOM 0 HB ILE B 106 0.576 6.556 1.518 1.00 20.11 H new ATOM 0 HG12 ILE B 106 0.630 4.634 3.266 1.00 54.34 H new ATOM 0 HG13 ILE B 106 -0.052 3.601 2.026 1.00 54.34 H new ATOM 0 HG21 ILE B 106 -1.023 6.301 3.429 1.00 34.01 H new ATOM 0 HG22 ILE B 106 -1.782 7.045 2.001 1.00 34.01 H new ATOM 0 HG23 ILE B 106 -2.089 5.334 2.383 1.00 34.01 H new ATOM 0 HD11 ILE B 106 2.343 3.262 2.229 1.00 71.14 H new ATOM 0 HD12 ILE B 106 1.943 3.934 0.631 1.00 71.14 H new ATOM 0 HD13 ILE B 106 2.635 4.984 1.890 1.00 71.14 H new ATOM 1830 N ILE B 107 -1.539 7.503 -0.965 1.00 61.30 N ATOM 1831 CA ILE B 107 -2.647 8.370 -1.461 1.00 22.21 C ATOM 1832 C ILE B 107 -3.380 7.680 -2.634 1.00 21.42 C ATOM 1833 O ILE B 107 -4.607 7.528 -2.625 1.00 4.14 O ATOM 1834 CB ILE B 107 -2.104 9.776 -1.937 1.00 31.41 C ATOM 1835 CG1 ILE B 107 -1.489 10.568 -0.743 1.00 64.25 C ATOM 1836 CG2 ILE B 107 -3.209 10.610 -2.645 1.00 45.41 C ATOM 1837 CD1 ILE B 107 -0.735 11.826 -1.139 1.00 35.44 C ATOM 0 H ILE B 107 -0.615 7.925 -1.058 1.00 61.30 H new ATOM 0 HA ILE B 107 -3.341 8.527 -0.636 1.00 22.21 H new ATOM 0 HB ILE B 107 -1.316 9.591 -2.667 1.00 31.41 H new ATOM 0 HG12 ILE B 107 -2.289 10.841 -0.055 1.00 64.25 H new ATOM 0 HG13 ILE B 107 -0.811 9.910 -0.199 1.00 64.25 H new ATOM 0 HG21 ILE B 107 -2.797 11.569 -2.957 1.00 45.41 H new ATOM 0 HG22 ILE B 107 -3.570 10.068 -3.519 1.00 45.41 H new ATOM 0 HG23 ILE B 107 -4.036 10.778 -1.955 1.00 45.41 H new ATOM 0 HD11 ILE B 107 -0.342 12.311 -0.245 1.00 35.44 H new ATOM 0 HD12 ILE B 107 0.090 11.563 -1.801 1.00 35.44 H new ATOM 0 HD13 ILE B 107 -1.411 12.508 -1.655 1.00 35.44 H new ATOM 1849 N HIS B 108 -2.570 7.260 -3.623 1.00 30.54 N ATOM 1850 CA HIS B 108 -3.038 6.624 -4.862 1.00 4.23 C ATOM 1851 C HIS B 108 -3.762 5.300 -4.545 1.00 40.33 C ATOM 1852 O HIS B 108 -4.885 5.088 -5.005 1.00 24.00 O ATOM 1853 CB HIS B 108 -1.841 6.408 -5.831 1.00 3.32 C ATOM 1854 CG HIS B 108 -2.189 5.910 -7.210 1.00 23.11 C ATOM 1855 ND1 HIS B 108 -1.243 5.408 -8.070 1.00 44.41 N ATOM 1856 CD2 HIS B 108 -3.369 5.832 -7.882 1.00 34.31 C ATOM 1857 CE1 HIS B 108 -1.814 5.048 -9.197 1.00 24.01 C ATOM 1858 NE2 HIS B 108 -3.106 5.285 -9.109 1.00 32.10 N ATOM 0 H HIS B 108 -1.555 7.356 -3.580 1.00 30.54 H new ATOM 0 HA HIS B 108 -3.756 7.279 -5.356 1.00 4.23 H new ATOM 0 HB2 HIS B 108 -1.306 7.352 -5.932 1.00 3.32 H new ATOM 0 HB3 HIS B 108 -1.152 5.698 -5.373 1.00 3.32 H new ATOM 0 HD2 HIS B 108 -4.336 6.144 -7.515 1.00 34.31 H new ATOM 0 HE1 HIS B 108 -1.308 4.628 -10.053 1.00 24.01 H new ATOM 0 HE2 HIS B 108 -3.797 5.093 -9.835 1.00 32.10 H new ATOM 1867 N ALA B 109 -3.133 4.458 -3.708 1.00 1.34 N ATOM 1868 CA ALA B 109 -3.678 3.141 -3.324 1.00 53.34 C ATOM 1869 C ALA B 109 -4.982 3.292 -2.521 1.00 75.31 C ATOM 1870 O ALA B 109 -5.932 2.544 -2.732 1.00 15.14 O ATOM 1871 CB ALA B 109 -2.644 2.356 -2.509 1.00 11.13 C ATOM 0 H ALA B 109 -2.233 4.669 -3.278 1.00 1.34 H new ATOM 0 HA ALA B 109 -3.904 2.591 -4.237 1.00 53.34 H new ATOM 0 HB1 ALA B 109 -3.059 1.387 -2.232 1.00 11.13 H new ATOM 0 HB2 ALA B 109 -1.745 2.209 -3.107 1.00 11.13 H new ATOM 0 HB3 ALA B 109 -2.392 2.914 -1.607 1.00 11.13 H new ATOM 1877 N ARG B 110 -5.001 4.300 -1.634 1.00 72.21 N ATOM 1878 CA ARG B 110 -6.150 4.627 -0.763 1.00 1.14 C ATOM 1879 C ARG B 110 -7.388 4.980 -1.603 1.00 42.34 C ATOM 1880 O ARG B 110 -8.490 4.463 -1.371 1.00 53.10 O ATOM 1881 CB ARG B 110 -5.760 5.830 0.134 1.00 54.03 C ATOM 1882 CG ARG B 110 -6.812 6.260 1.159 1.00 61.11 C ATOM 1883 CD ARG B 110 -7.033 5.223 2.263 1.00 24.42 C ATOM 1884 NE ARG B 110 -8.067 5.675 3.199 1.00 3.13 N ATOM 1885 CZ ARG B 110 -8.461 5.015 4.284 1.00 13.53 C ATOM 1886 NH1 ARG B 110 -7.926 3.838 4.593 1.00 44.14 N ATOM 1887 NH2 ARG B 110 -9.417 5.521 5.043 1.00 42.25 N ATOM 0 H ARG B 110 -4.206 4.924 -1.497 1.00 72.21 H new ATOM 0 HA ARG B 110 -6.396 3.761 -0.148 1.00 1.14 H new ATOM 0 HB2 ARG B 110 -4.842 5.581 0.666 1.00 54.03 H new ATOM 0 HB3 ARG B 110 -5.536 6.681 -0.509 1.00 54.03 H new ATOM 0 HG2 ARG B 110 -6.506 7.204 1.611 1.00 61.11 H new ATOM 0 HG3 ARG B 110 -7.756 6.443 0.647 1.00 61.11 H new ATOM 0 HD2 ARG B 110 -7.327 4.271 1.821 1.00 24.42 H new ATOM 0 HD3 ARG B 110 -6.100 5.051 2.799 1.00 24.42 H new ATOM 0 HE ARG B 110 -8.520 6.567 3.002 1.00 3.13 H new ATOM 0 HH11 ARG B 110 -7.206 3.433 3.995 1.00 44.14 H new ATOM 0 HH12 ARG B 110 -8.236 3.340 5.428 1.00 44.14 H new ATOM 0 HH21 ARG B 110 -9.847 6.412 4.795 1.00 42.25 H new ATOM 0 HH22 ARG B 110 -9.725 5.021 5.877 1.00 42.25 H new ATOM 1901 N ALA B 111 -7.154 5.854 -2.598 1.00 1.53 N ATOM 1902 CA ALA B 111 -8.185 6.350 -3.510 1.00 4.00 C ATOM 1903 C ALA B 111 -8.713 5.218 -4.411 1.00 41.42 C ATOM 1904 O ALA B 111 -9.904 5.178 -4.722 1.00 12.42 O ATOM 1905 CB ALA B 111 -7.616 7.500 -4.347 1.00 10.14 C ATOM 0 H ALA B 111 -6.228 6.237 -2.789 1.00 1.53 H new ATOM 0 HA ALA B 111 -9.027 6.721 -2.926 1.00 4.00 H new ATOM 0 HB1 ALA B 111 -8.384 7.870 -5.027 1.00 10.14 H new ATOM 0 HB2 ALA B 111 -7.296 8.307 -3.687 1.00 10.14 H new ATOM 0 HB3 ALA B 111 -6.763 7.143 -4.923 1.00 10.14 H new ATOM 1911 N LEU B 112 -7.802 4.287 -4.783 1.00 1.34 N ATOM 1912 CA LEU B 112 -8.127 3.120 -5.633 1.00 12.14 C ATOM 1913 C LEU B 112 -9.048 2.139 -4.898 1.00 43.41 C ATOM 1914 O LEU B 112 -10.058 1.719 -5.455 1.00 12.13 O ATOM 1915 CB LEU B 112 -6.844 2.392 -6.110 1.00 32.43 C ATOM 1916 CG LEU B 112 -6.013 3.132 -7.202 1.00 3.23 C ATOM 1917 CD1 LEU B 112 -4.644 2.471 -7.375 1.00 3.11 C ATOM 1918 CD2 LEU B 112 -6.777 3.200 -8.548 1.00 41.33 C ATOM 0 H LEU B 112 -6.822 4.325 -4.502 1.00 1.34 H new ATOM 0 HA LEU B 112 -8.652 3.497 -6.510 1.00 12.14 H new ATOM 0 HB2 LEU B 112 -6.203 2.221 -5.245 1.00 32.43 H new ATOM 0 HB3 LEU B 112 -7.126 1.413 -6.496 1.00 32.43 H new ATOM 0 HG LEU B 112 -5.857 4.158 -6.867 1.00 3.23 H new ATOM 0 HD11 LEU B 112 -4.078 3.001 -8.141 1.00 3.11 H new ATOM 0 HD12 LEU B 112 -4.100 2.508 -6.431 1.00 3.11 H new ATOM 0 HD13 LEU B 112 -4.777 1.432 -7.676 1.00 3.11 H new ATOM 0 HD21 LEU B 112 -6.168 3.722 -9.286 1.00 41.33 H new ATOM 0 HD22 LEU B 112 -6.986 2.190 -8.899 1.00 41.33 H new ATOM 0 HD23 LEU B 112 -7.716 3.736 -8.407 1.00 41.33 H new ATOM 1930 N VAL B 113 -8.696 1.797 -3.637 1.00 44.22 N ATOM 1931 CA VAL B 113 -9.482 0.846 -2.828 1.00 64.13 C ATOM 1932 C VAL B 113 -10.871 1.435 -2.520 1.00 31.25 C ATOM 1933 O VAL B 113 -11.870 0.723 -2.580 1.00 2.24 O ATOM 1934 CB VAL B 113 -8.751 0.422 -1.494 1.00 51.44 C ATOM 1935 CG1 VAL B 113 -9.572 -0.641 -0.718 1.00 41.25 C ATOM 1936 CG2 VAL B 113 -7.324 -0.099 -1.772 1.00 64.34 C ATOM 0 H VAL B 113 -7.873 2.167 -3.161 1.00 44.22 H new ATOM 0 HA VAL B 113 -9.594 -0.061 -3.422 1.00 64.13 H new ATOM 0 HB VAL B 113 -8.670 1.314 -0.873 1.00 51.44 H new ATOM 0 HG11 VAL B 113 -9.043 -0.913 0.196 1.00 41.25 H new ATOM 0 HG12 VAL B 113 -10.549 -0.231 -0.463 1.00 41.25 H new ATOM 0 HG13 VAL B 113 -9.701 -1.527 -1.340 1.00 41.25 H new ATOM 0 HG21 VAL B 113 -6.850 -0.382 -0.832 1.00 64.34 H new ATOM 0 HG22 VAL B 113 -7.375 -0.968 -2.428 1.00 64.34 H new ATOM 0 HG23 VAL B 113 -6.738 0.684 -2.252 1.00 64.34 H new ATOM 1946 N ARG B 114 -10.912 2.758 -2.261 1.00 61.02 N ATOM 1947 CA ARG B 114 -12.158 3.504 -1.982 1.00 2.45 C ATOM 1948 C ARG B 114 -13.147 3.411 -3.168 1.00 44.21 C ATOM 1949 O ARG B 114 -14.292 2.966 -3.006 1.00 42.52 O ATOM 1950 CB ARG B 114 -11.817 4.991 -1.669 1.00 60.04 C ATOM 1951 CG ARG B 114 -13.030 5.925 -1.385 1.00 13.21 C ATOM 1952 CD ARG B 114 -13.787 5.610 -0.078 1.00 30.43 C ATOM 1953 NE ARG B 114 -14.581 4.369 -0.156 1.00 33.54 N ATOM 1954 CZ ARG B 114 -14.791 3.519 0.858 1.00 62.13 C ATOM 1955 NH1 ARG B 114 -14.261 3.730 2.067 1.00 53.22 N ATOM 1956 NH2 ARG B 114 -15.539 2.445 0.660 1.00 12.55 N ATOM 0 H ARG B 114 -10.077 3.343 -2.239 1.00 61.02 H new ATOM 0 HA ARG B 114 -12.643 3.056 -1.115 1.00 2.45 H new ATOM 0 HB2 ARG B 114 -11.154 5.017 -0.804 1.00 60.04 H new ATOM 0 HB3 ARG B 114 -11.258 5.400 -2.511 1.00 60.04 H new ATOM 0 HG2 ARG B 114 -12.678 6.956 -1.347 1.00 13.21 H new ATOM 0 HG3 ARG B 114 -13.728 5.857 -2.220 1.00 13.21 H new ATOM 0 HD2 ARG B 114 -13.070 5.525 0.739 1.00 30.43 H new ATOM 0 HD3 ARG B 114 -14.448 6.443 0.162 1.00 30.43 H new ATOM 0 HE ARG B 114 -15.005 4.139 -1.055 1.00 33.54 H new ATOM 0 HH11 ARG B 114 -13.682 4.553 2.233 1.00 53.22 H new ATOM 0 HH12 ARG B 114 -14.436 3.068 2.823 1.00 53.22 H new ATOM 0 HH21 ARG B 114 -15.949 2.271 -0.258 1.00 12.55 H new ATOM 0 HH22 ARG B 114 -15.705 1.791 1.425 1.00 12.55 H new ATOM 1970 N GLU B 115 -12.674 3.810 -4.366 1.00 33.33 N ATOM 1971 CA GLU B 115 -13.511 3.876 -5.585 1.00 33.14 C ATOM 1972 C GLU B 115 -13.835 2.475 -6.131 1.00 73.04 C ATOM 1973 O GLU B 115 -14.836 2.296 -6.825 1.00 24.24 O ATOM 1974 CB GLU B 115 -12.818 4.723 -6.683 1.00 42.32 C ATOM 1975 CG GLU B 115 -11.529 4.100 -7.260 1.00 71.32 C ATOM 1976 CD GLU B 115 -10.788 5.020 -8.235 1.00 23.23 C ATOM 1977 OE1 GLU B 115 -9.992 5.865 -7.778 1.00 41.20 O ATOM 1978 OE2 GLU B 115 -11.003 4.912 -9.463 1.00 13.42 O ATOM 0 H GLU B 115 -11.706 4.095 -4.517 1.00 33.33 H new ATOM 0 HA GLU B 115 -14.449 4.355 -5.305 1.00 33.14 H new ATOM 0 HB2 GLU B 115 -13.524 4.884 -7.498 1.00 42.32 H new ATOM 0 HB3 GLU B 115 -12.579 5.703 -6.270 1.00 42.32 H new ATOM 0 HG2 GLU B 115 -10.861 3.841 -6.439 1.00 71.32 H new ATOM 0 HG3 GLU B 115 -11.781 3.171 -7.771 1.00 71.32 H new ATOM 1985 N CYS B 116 -12.975 1.488 -5.823 1.00 43.12 N ATOM 1986 CA CYS B 116 -13.180 0.104 -6.262 1.00 10.52 C ATOM 1987 C CYS B 116 -14.178 -0.597 -5.339 1.00 73.41 C ATOM 1988 O CYS B 116 -14.953 -1.404 -5.800 1.00 2.34 O ATOM 1989 CB CYS B 116 -11.856 -0.660 -6.319 1.00 15.30 C ATOM 1990 SG CYS B 116 -11.995 -2.359 -6.933 1.00 62.00 S ATOM 0 H CYS B 116 -12.130 1.628 -5.270 1.00 43.12 H new ATOM 0 HA CYS B 116 -13.591 0.120 -7.271 1.00 10.52 H new ATOM 0 HB2 CYS B 116 -11.162 -0.112 -6.957 1.00 15.30 H new ATOM 0 HB3 CYS B 116 -11.421 -0.683 -5.320 1.00 15.30 H new ATOM 0 HG CYS B 116 -12.816 -3.027 -6.178 1.00 62.00 H new ATOM 1996 N LEU B 117 -14.186 -0.234 -4.033 1.00 71.44 N ATOM 1997 CA LEU B 117 -15.199 -0.729 -3.064 1.00 40.44 C ATOM 1998 C LEU B 117 -16.629 -0.356 -3.515 1.00 32.44 C ATOM 1999 O LEU B 117 -17.593 -1.065 -3.179 1.00 72.52 O ATOM 2000 CB LEU B 117 -14.906 -0.196 -1.621 1.00 30.43 C ATOM 2001 CG LEU B 117 -13.827 -0.987 -0.802 1.00 11.24 C ATOM 2002 CD1 LEU B 117 -13.357 -0.196 0.439 1.00 25.04 C ATOM 2003 CD2 LEU B 117 -14.353 -2.384 -0.398 1.00 20.51 C ATOM 0 H LEU B 117 -13.501 0.402 -3.624 1.00 71.44 H new ATOM 0 HA LEU B 117 -15.131 -1.817 -3.038 1.00 40.44 H new ATOM 0 HB2 LEU B 117 -14.586 0.843 -1.697 1.00 30.43 H new ATOM 0 HB3 LEU B 117 -15.838 -0.202 -1.057 1.00 30.43 H new ATOM 0 HG LEU B 117 -12.961 -1.122 -1.451 1.00 11.24 H new ATOM 0 HD11 LEU B 117 -12.610 -0.777 0.980 1.00 25.04 H new ATOM 0 HD12 LEU B 117 -12.920 0.751 0.123 1.00 25.04 H new ATOM 0 HD13 LEU B 117 -14.209 -0.003 1.091 1.00 25.04 H new ATOM 0 HD21 LEU B 117 -13.586 -2.912 0.169 1.00 20.51 H new ATOM 0 HD22 LEU B 117 -15.246 -2.273 0.217 1.00 20.51 H new ATOM 0 HD23 LEU B 117 -14.598 -2.954 -1.294 1.00 20.51 H new ATOM 2015 N ALA B 118 -16.737 0.743 -4.297 1.00 13.03 N ATOM 2016 CA ALA B 118 -17.999 1.196 -4.895 1.00 42.21 C ATOM 2017 C ALA B 118 -18.611 0.122 -5.817 1.00 23.22 C ATOM 2018 O ALA B 118 -19.817 -0.090 -5.791 1.00 75.43 O ATOM 2019 CB ALA B 118 -17.789 2.509 -5.664 1.00 30.42 C ATOM 0 H ALA B 118 -15.942 1.339 -4.528 1.00 13.03 H new ATOM 0 HA ALA B 118 -18.704 1.373 -4.082 1.00 42.21 H new ATOM 0 HB1 ALA B 118 -18.735 2.830 -6.101 1.00 30.42 H new ATOM 0 HB2 ALA B 118 -17.426 3.277 -4.981 1.00 30.42 H new ATOM 0 HB3 ALA B 118 -17.058 2.353 -6.457 1.00 30.42 H new ATOM 2025 N GLU B 119 -17.776 -0.523 -6.661 1.00 11.12 N ATOM 2026 CA GLU B 119 -18.210 -1.652 -7.523 1.00 3.45 C ATOM 2027 C GLU B 119 -18.089 -3.018 -6.808 1.00 35.22 C ATOM 2028 O GLU B 119 -18.845 -3.939 -7.109 1.00 63.12 O ATOM 2029 CB GLU B 119 -17.399 -1.662 -8.847 1.00 15.13 C ATOM 2030 CG GLU B 119 -15.874 -1.803 -8.673 1.00 1.22 C ATOM 2031 CD GLU B 119 -15.097 -1.739 -9.989 1.00 52.14 C ATOM 2032 OE1 GLU B 119 -14.849 -0.617 -10.495 1.00 2.40 O ATOM 2033 OE2 GLU B 119 -14.726 -2.803 -10.529 1.00 25.54 O ATOM 0 H GLU B 119 -16.791 -0.281 -6.766 1.00 11.12 H new ATOM 0 HA GLU B 119 -19.266 -1.499 -7.748 1.00 3.45 H new ATOM 0 HB2 GLU B 119 -17.756 -2.483 -9.469 1.00 15.13 H new ATOM 0 HB3 GLU B 119 -17.604 -0.739 -9.389 1.00 15.13 H new ATOM 0 HG2 GLU B 119 -15.518 -1.013 -8.012 1.00 1.22 H new ATOM 0 HG3 GLU B 119 -15.659 -2.751 -8.180 1.00 1.22 H new ATOM 2040 N THR B 120 -17.140 -3.126 -5.847 1.00 21.03 N ATOM 2041 CA THR B 120 -16.812 -4.408 -5.168 1.00 13.11 C ATOM 2042 C THR B 120 -17.990 -4.875 -4.296 1.00 75.21 C ATOM 2043 O THR B 120 -18.192 -6.058 -4.131 1.00 64.11 O ATOM 2044 CB THR B 120 -15.500 -4.308 -4.294 1.00 31.32 C ATOM 2045 OG1 THR B 120 -14.396 -3.878 -5.103 1.00 24.24 O ATOM 2046 CG2 THR B 120 -15.099 -5.645 -3.628 1.00 0.34 C ATOM 0 H THR B 120 -16.583 -2.336 -5.521 1.00 21.03 H new ATOM 0 HA THR B 120 -16.628 -5.142 -5.952 1.00 13.11 H new ATOM 0 HB THR B 120 -15.727 -3.588 -3.507 1.00 31.32 H new ATOM 0 HG1 THR B 120 -14.683 -3.143 -5.684 1.00 24.24 H new ATOM 0 HG21 THR B 120 -14.190 -5.502 -3.044 1.00 0.34 H new ATOM 0 HG22 THR B 120 -15.903 -5.980 -2.972 1.00 0.34 H new ATOM 0 HG23 THR B 120 -14.921 -6.396 -4.398 1.00 0.34 H new ATOM 2054 N GLU B 121 -18.785 -3.920 -3.784 1.00 22.00 N ATOM 2055 CA GLU B 121 -19.961 -4.215 -2.938 1.00 53.45 C ATOM 2056 C GLU B 121 -21.006 -5.104 -3.653 1.00 64.12 C ATOM 2057 O GLU B 121 -21.772 -5.813 -2.991 1.00 5.33 O ATOM 2058 CB GLU B 121 -20.594 -2.902 -2.436 1.00 70.14 C ATOM 2059 CG GLU B 121 -21.086 -1.941 -3.532 1.00 72.20 C ATOM 2060 CD GLU B 121 -21.618 -0.623 -2.947 1.00 34.32 C ATOM 2061 OE1 GLU B 121 -20.813 0.309 -2.710 1.00 2.54 O ATOM 2062 OE2 GLU B 121 -22.836 -0.522 -2.682 1.00 34.11 O ATOM 0 H GLU B 121 -18.634 -2.924 -3.943 1.00 22.00 H new ATOM 0 HA GLU B 121 -19.610 -4.791 -2.082 1.00 53.45 H new ATOM 0 HB2 GLU B 121 -21.436 -3.149 -1.790 1.00 70.14 H new ATOM 0 HB3 GLU B 121 -19.862 -2.379 -1.820 1.00 70.14 H new ATOM 0 HG2 GLU B 121 -20.268 -1.728 -4.221 1.00 72.20 H new ATOM 0 HG3 GLU B 121 -21.873 -2.424 -4.111 1.00 72.20 H new ATOM 2069 N ARG B 122 -21.007 -5.062 -5.005 1.00 5.31 N ATOM 2070 CA ARG B 122 -21.886 -5.906 -5.846 1.00 14.40 C ATOM 2071 C ARG B 122 -21.495 -7.404 -5.792 1.00 20.31 C ATOM 2072 O ARG B 122 -22.316 -8.262 -6.124 1.00 1.43 O ATOM 2073 CB ARG B 122 -21.884 -5.402 -7.312 1.00 30.22 C ATOM 2074 CG ARG B 122 -22.653 -4.087 -7.540 1.00 4.33 C ATOM 2075 CD ARG B 122 -24.166 -4.230 -7.272 1.00 5.34 C ATOM 2076 NE ARG B 122 -24.915 -3.012 -7.620 1.00 24.43 N ATOM 2077 CZ ARG B 122 -26.242 -2.858 -7.497 1.00 42.21 C ATOM 2078 NH1 ARG B 122 -27.012 -3.845 -7.023 1.00 10.23 N ATOM 2079 NH2 ARG B 122 -26.792 -1.713 -7.871 1.00 61.12 N ATOM 0 H ARG B 122 -20.400 -4.443 -5.543 1.00 5.31 H new ATOM 0 HA ARG B 122 -22.893 -5.821 -5.438 1.00 14.40 H new ATOM 0 HB2 ARG B 122 -20.852 -5.264 -7.633 1.00 30.22 H new ATOM 0 HB3 ARG B 122 -22.315 -6.175 -7.948 1.00 30.22 H new ATOM 0 HG2 ARG B 122 -22.244 -3.314 -6.890 1.00 4.33 H new ATOM 0 HG3 ARG B 122 -22.499 -3.754 -8.566 1.00 4.33 H new ATOM 0 HD2 ARG B 122 -24.556 -5.070 -7.847 1.00 5.34 H new ATOM 0 HD3 ARG B 122 -24.325 -4.463 -6.219 1.00 5.34 H new ATOM 0 HE ARG B 122 -24.383 -2.222 -7.984 1.00 24.43 H new ATOM 0 HH11 ARG B 122 -26.591 -4.733 -6.748 1.00 10.23 H new ATOM 0 HH12 ARG B 122 -28.019 -3.709 -6.937 1.00 10.23 H new ATOM 0 HH21 ARG B 122 -26.208 -0.965 -8.246 1.00 61.12 H new ATOM 0 HH22 ARG B 122 -27.799 -1.579 -7.784 1.00 61.12 H new ATOM 2093 N ASN B 123 -20.233 -7.716 -5.401 1.00 12.54 N ATOM 2094 CA ASN B 123 -19.801 -9.119 -5.152 1.00 13.45 C ATOM 2095 C ASN B 123 -20.518 -9.664 -3.903 1.00 33.30 C ATOM 2096 O ASN B 123 -20.737 -10.875 -3.785 1.00 75.25 O ATOM 2097 CB ASN B 123 -18.234 -9.231 -5.029 1.00 13.53 C ATOM 2098 CG ASN B 123 -17.627 -8.993 -3.629 1.00 62.04 C ATOM 2099 OD1 ASN B 123 -18.170 -8.289 -2.786 1.00 24.41 O ATOM 2100 ND2 ASN B 123 -16.467 -9.565 -3.382 1.00 11.05 N ATOM 0 H ASN B 123 -19.500 -7.022 -5.252 1.00 12.54 H new ATOM 0 HA ASN B 123 -20.084 -9.732 -6.008 1.00 13.45 H new ATOM 0 HB2 ASN B 123 -17.937 -10.225 -5.364 1.00 13.53 H new ATOM 0 HB3 ASN B 123 -17.787 -8.516 -5.719 1.00 13.53 H new ATOM 0 HD21 ASN B 123 -16.011 -9.424 -2.481 1.00 11.05 H new ATOM 0 HD22 ASN B 123 -16.025 -10.149 -4.092 1.00 11.05 H new ATOM 2107 N ALA B 124 -20.859 -8.716 -2.983 1.00 42.53 N ATOM 2108 CA ALA B 124 -21.634 -8.955 -1.752 1.00 50.42 C ATOM 2109 C ALA B 124 -21.020 -10.047 -0.862 1.00 5.21 C ATOM 2110 O ALA B 124 -21.705 -10.622 -0.024 1.00 24.33 O ATOM 2111 CB ALA B 124 -23.096 -9.257 -2.108 1.00 52.13 C ATOM 0 H ALA B 124 -20.589 -7.738 -3.091 1.00 42.53 H new ATOM 0 HA ALA B 124 -21.601 -8.043 -1.155 1.00 50.42 H new ATOM 0 HB1 ALA B 124 -23.664 -9.433 -1.194 1.00 52.13 H new ATOM 0 HB2 ALA B 124 -23.523 -8.409 -2.643 1.00 52.13 H new ATOM 0 HB3 ALA B 124 -23.141 -10.144 -2.740 1.00 52.13 H new ATOM 2117 N ARG B 125 -19.707 -10.275 -1.016 1.00 32.13 N ATOM 2118 CA ARG B 125 -19.006 -11.386 -0.360 1.00 31.12 C ATOM 2119 C ARG B 125 -18.485 -10.953 1.023 1.00 14.13 C ATOM 2120 O ARG B 125 -18.087 -9.805 1.209 1.00 22.11 O ATOM 2121 CB ARG B 125 -17.843 -11.894 -1.268 1.00 72.13 C ATOM 2122 CG ARG B 125 -17.223 -13.246 -0.825 1.00 1.32 C ATOM 2123 CD ARG B 125 -18.271 -14.379 -0.795 1.00 11.11 C ATOM 2124 NE ARG B 125 -17.715 -15.692 -0.423 1.00 60.32 N ATOM 2125 CZ ARG B 125 -18.333 -16.864 -0.650 1.00 53.51 C ATOM 2126 NH1 ARG B 125 -19.527 -16.909 -1.249 1.00 62.14 N ATOM 2127 NH2 ARG B 125 -17.755 -17.989 -0.276 1.00 54.10 N ATOM 0 H ARG B 125 -19.103 -9.695 -1.598 1.00 32.13 H new ATOM 0 HA ARG B 125 -19.706 -12.208 -0.209 1.00 31.12 H new ATOM 0 HB2 ARG B 125 -18.213 -11.996 -2.288 1.00 72.13 H new ATOM 0 HB3 ARG B 125 -17.058 -11.138 -1.288 1.00 72.13 H new ATOM 0 HG2 ARG B 125 -16.416 -13.516 -1.507 1.00 1.32 H new ATOM 0 HG3 ARG B 125 -16.780 -13.135 0.165 1.00 1.32 H new ATOM 0 HD2 ARG B 125 -19.058 -14.115 -0.089 1.00 11.11 H new ATOM 0 HD3 ARG B 125 -18.737 -14.457 -1.777 1.00 11.11 H new ATOM 0 HE ARG B 125 -16.804 -15.713 0.035 1.00 60.32 H new ATOM 0 HH11 ARG B 125 -19.984 -16.045 -1.542 1.00 62.14 H new ATOM 0 HH12 ARG B 125 -19.982 -17.807 -1.413 1.00 62.14 H new ATOM 0 HH21 ARG B 125 -16.844 -17.966 0.183 1.00 54.10 H new ATOM 0 HH22 ARG B 125 -18.219 -18.882 -0.445 1.00 54.10 H new ATOM 2141 N THR B 126 -18.531 -11.882 1.983 1.00 75.31 N ATOM 2142 CA THR B 126 -18.001 -11.699 3.339 1.00 71.15 C ATOM 2143 C THR B 126 -17.368 -13.035 3.814 1.00 41.12 C ATOM 2144 O THR B 126 -18.077 -14.059 3.912 1.00 40.43 O ATOM 2145 CB THR B 126 -19.092 -11.171 4.350 1.00 54.34 C ATOM 2146 OG1 THR B 126 -18.577 -11.163 5.691 1.00 23.45 O ATOM 2147 CG2 THR B 126 -20.421 -11.956 4.307 1.00 21.43 C ATOM 2148 OXT THR B 126 -16.151 -13.071 4.058 1.00 36.96 O ATOM 0 H THR B 126 -18.946 -12.802 1.837 1.00 75.31 H new ATOM 0 HA THR B 126 -17.234 -10.925 3.312 1.00 71.15 H new ATOM 0 HB THR B 126 -19.321 -10.155 4.028 1.00 54.34 H new ATOM 0 HG1 THR B 126 -19.266 -10.831 6.304 1.00 23.45 H new ATOM 0 HG21 THR B 126 -21.118 -11.532 5.030 1.00 21.43 H new ATOM 0 HG22 THR B 126 -20.851 -11.890 3.307 1.00 21.43 H new ATOM 0 HG23 THR B 126 -20.234 -13.001 4.553 1.00 21.43 H new TER 2156 THR B 126