USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 979 hydrogens (91 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 NoAdj-H: A 42 ASNHD21 : A 42 ASN ND2 : A 117 B6D C1 :(H bumps) USER MOD Set 1.1: A 121 A2G O6 : rot -4:sc= -0.206 USER MOD Set 1.2: A 123 BGC O6 : rot 92:sc= 1.28 USER MOD Set 2.1: A 119 A2G O3 : rot 180:sc= 0 USER MOD Set 2.2: A 120 A2G O6 : rot -31:sc= -0.0876 USER MOD Set 3.1: A 118 A2G O3 : rot 180:sc= 0 USER MOD Set 3.2: A 119 A2G O6 : rot 180:sc= 0 USER MOD Set 4.1: A 45 LYS NZ :NH3+ 172:sc= -0.997 (180deg=-1.15) USER MOD Set 4.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 34 GLN :FLIP amide:sc= -3.71! C(o=-6.9!,f=-4.1!) USER MOD Set 5.2: A 68 THR OG1 : rot 59:sc= -0.405 USER MOD Set 6.1: A 24 LYS NZ :NH3+ -137:sc= 0.317 (180deg=0) USER MOD Set 6.2: A 111 HIS : no HD1:sc= 0.306 K(o=0.62,f=-0.032) USER MOD Set 7.1: A 9 SER OG : rot 66:sc= 0.0452 USER MOD Set 7.2: A 88 TYR OH : rot -83:sc= 0.0456 USER MOD Single : A 1 ASP N :NH3+ 168:sc= 0.726 (180deg=0.459) USER MOD Single : A 5 LYS NZ :NH3+ -172:sc= 0.181 (180deg=0.164) USER MOD Single : A 7 GLN : amide:sc= -0.0823 X(o=-0.082,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.656 X(o=-0.66,f=-0.58) USER MOD Single : A 15 LYS NZ :NH3+ 151:sc= 0.0595 (180deg=-1.07) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -100:sc= -0.0358 (180deg=-0.678) USER MOD Single : A 27 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.035) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 36 GLN : amide:sc= -1.65! C(o=-1.7!,f=-1.4!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 143:sc= -0.0461 (180deg=-0.317) USER MOD Single : A 44 SER OG : rot -160:sc= -3.53! USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.77) USER MOD Single : A 51 SER OG : rot -57:sc= 0.0566 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= -1.43 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0.0898 USER MOD Single : A 67 HIS : no HE2:sc= -0.468 X(o=-0.47,f=-0.48) USER MOD Single : A 71 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0767) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= -0.465 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 38:sc= 0.941 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.211 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.22) USER MOD Single : A 106 TYR OH : rot 180:sc= -0.759 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= -0.0205 X(o=-0.021,f=-0.0072) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc= -0.0197 X(o=-0.02,f=-0.13) USER MOD Single : A 118 A2G O6 : rot -13:sc= 0.373 USER MOD Single : A 121 A2G O3 : rot 180:sc=-0.00746 USER MOD Single : A 122 A2G O3 : rot 180:sc= 0 USER MOD Single : A 122 A2G O4 : rot 145:sc= 0.849 USER MOD Single : A 122 A2G O6 : rot 180:sc= 0.793 USER MOD Single : A 123 BGC O2 : rot 180:sc= 0 USER MOD Single : A 123 BGC O3 : rot 180:sc= 0 USER MOD Single : A 123 BGC O4 : rot -175:sc= 0.938 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 0.441 1.940 0.545 1.00 64.43 N ATOM 2 CA ASP A 1 1.200 1.533 -0.634 1.00 34.03 C ATOM 3 C ASP A 1 1.898 2.730 -1.271 1.00 10.35 C ATOM 4 O ASP A 1 1.989 2.830 -2.494 1.00 52.53 O ATOM 5 CB ASP A 1 0.278 0.863 -1.653 1.00 63.12 C ATOM 6 CG ASP A 1 -0.154 -0.524 -1.220 1.00 5.11 C ATOM 7 OD1 ASP A 1 -0.193 -0.779 0.002 1.00 42.24 O ATOM 8 OD2 ASP A 1 -0.452 -1.357 -2.102 1.00 45.41 O ATOM 0 H1 ASP A 1 -0.183 1.163 0.842 1.00 64.43 H new ATOM 0 H2 ASP A 1 1.098 2.171 1.318 1.00 64.43 H new ATOM 0 H3 ASP A 1 -0.133 2.776 0.316 1.00 64.43 H new ATOM 0 HA ASP A 1 1.960 0.818 -0.318 1.00 34.03 H new ATOM 0 HB2 ASP A 1 -0.605 1.485 -1.804 1.00 63.12 H new ATOM 0 HB3 ASP A 1 0.789 0.798 -2.613 1.00 63.12 H new ATOM 13 N VAL A 2 2.391 3.637 -0.432 1.00 22.02 N ATOM 14 CA VAL A 2 3.082 4.827 -0.913 1.00 1.33 C ATOM 15 C VAL A 2 4.318 5.124 -0.069 1.00 71.33 C ATOM 16 O VAL A 2 4.305 4.950 1.150 1.00 25.10 O ATOM 17 CB VAL A 2 2.156 6.058 -0.898 1.00 34.44 C ATOM 18 CG1 VAL A 2 2.918 7.305 -1.320 1.00 72.44 C ATOM 19 CG2 VAL A 2 0.951 5.829 -1.796 1.00 64.52 C ATOM 0 H VAL A 2 2.324 3.570 0.584 1.00 22.02 H new ATOM 0 HA VAL A 2 3.387 4.623 -1.939 1.00 1.33 H new ATOM 0 HB VAL A 2 1.797 6.209 0.120 1.00 34.44 H new ATOM 0 HG11 VAL A 2 2.247 8.164 -1.303 1.00 72.44 H new ATOM 0 HG12 VAL A 2 3.745 7.477 -0.631 1.00 72.44 H new ATOM 0 HG13 VAL A 2 3.308 7.169 -2.329 1.00 72.44 H new ATOM 0 HG21 VAL A 2 0.308 6.709 -1.773 1.00 64.52 H new ATOM 0 HG22 VAL A 2 1.287 5.652 -2.818 1.00 64.52 H new ATOM 0 HG23 VAL A 2 0.393 4.962 -1.442 1.00 64.52 H new ATOM 29 N ILE A 3 5.381 5.572 -0.726 1.00 44.42 N ATOM 30 CA ILE A 3 6.624 5.895 -0.037 1.00 41.31 C ATOM 31 C ILE A 3 6.654 7.359 0.387 1.00 60.11 C ATOM 32 O ILE A 3 6.296 8.248 -0.387 1.00 24.41 O ATOM 33 CB ILE A 3 7.850 5.603 -0.921 1.00 5.41 C ATOM 34 CG1 ILE A 3 7.867 4.132 -1.341 1.00 13.25 C ATOM 35 CG2 ILE A 3 9.133 5.964 -0.185 1.00 60.43 C ATOM 36 CD1 ILE A 3 9.074 3.752 -2.168 1.00 24.20 C ATOM 0 H ILE A 3 5.407 5.720 -1.735 1.00 44.42 H new ATOM 0 HA ILE A 3 6.666 5.262 0.849 1.00 41.31 H new ATOM 0 HB ILE A 3 7.784 6.217 -1.820 1.00 5.41 H new ATOM 0 HG12 ILE A 3 7.838 3.508 -0.448 1.00 13.25 H new ATOM 0 HG13 ILE A 3 6.964 3.915 -1.911 1.00 13.25 H new ATOM 0 HG21 ILE A 3 9.991 5.752 -0.823 1.00 60.43 H new ATOM 0 HG22 ILE A 3 9.122 7.024 0.067 1.00 60.43 H new ATOM 0 HG23 ILE A 3 9.206 5.375 0.729 1.00 60.43 H new ATOM 0 HD11 ILE A 3 9.018 2.695 -2.429 1.00 24.20 H new ATOM 0 HD12 ILE A 3 9.094 4.350 -3.079 1.00 24.20 H new ATOM 0 HD13 ILE A 3 9.982 3.936 -1.593 1.00 24.20 H new ATOM 48 N ILE A 4 7.085 7.604 1.620 1.00 50.22 N ATOM 49 CA ILE A 4 7.164 8.962 2.145 1.00 70.10 C ATOM 50 C ILE A 4 8.518 9.591 1.838 1.00 50.34 C ATOM 51 O ILE A 4 9.529 9.248 2.451 1.00 11.51 O ATOM 52 CB ILE A 4 6.931 8.990 3.667 1.00 14.31 C ATOM 53 CG1 ILE A 4 5.471 8.665 3.988 1.00 72.14 C ATOM 54 CG2 ILE A 4 7.313 10.349 4.236 1.00 30.44 C ATOM 55 CD1 ILE A 4 5.163 8.657 5.469 1.00 44.52 C ATOM 0 H ILE A 4 7.385 6.881 2.274 1.00 50.22 H new ATOM 0 HA ILE A 4 6.379 9.537 1.654 1.00 70.10 H new ATOM 0 HB ILE A 4 7.563 8.232 4.130 1.00 14.31 H new ATOM 0 HG12 ILE A 4 4.828 9.395 3.496 1.00 72.14 H new ATOM 0 HG13 ILE A 4 5.224 7.690 3.569 1.00 72.14 H new ATOM 0 HG21 ILE A 4 7.143 10.354 5.313 1.00 30.44 H new ATOM 0 HG22 ILE A 4 8.366 10.545 4.034 1.00 30.44 H new ATOM 0 HG23 ILE A 4 6.704 11.123 3.769 1.00 30.44 H new ATOM 0 HD11 ILE A 4 4.110 8.419 5.620 1.00 44.52 H new ATOM 0 HD12 ILE A 4 5.779 7.907 5.965 1.00 44.52 H new ATOM 0 HD13 ILE A 4 5.377 9.639 5.891 1.00 44.52 H new ATOM 67 N LYS A 5 8.531 10.518 0.885 1.00 22.31 N ATOM 68 CA LYS A 5 9.760 11.200 0.497 1.00 73.40 C ATOM 69 C LYS A 5 9.558 12.711 0.470 1.00 13.25 C ATOM 70 O LYS A 5 8.444 13.210 0.312 1.00 53.22 O ATOM 71 CB LYS A 5 10.226 10.713 -0.878 1.00 75.01 C ATOM 72 CG LYS A 5 10.366 9.203 -0.972 1.00 54.14 C ATOM 73 CD LYS A 5 9.494 8.630 -2.077 1.00 52.25 C ATOM 74 CE LYS A 5 10.249 7.604 -2.907 1.00 64.24 C ATOM 75 NZ LYS A 5 9.998 7.777 -4.365 1.00 61.41 N ATOM 0 H LYS A 5 7.704 10.814 0.367 1.00 22.31 H new ATOM 0 HA LYS A 5 10.525 10.966 1.237 1.00 73.40 H new ATOM 0 HB2 LYS A 5 9.517 11.052 -1.634 1.00 75.01 H new ATOM 0 HB3 LYS A 5 11.186 11.174 -1.112 1.00 75.01 H new ATOM 0 HG2 LYS A 5 11.408 8.944 -1.159 1.00 54.14 H new ATOM 0 HG3 LYS A 5 10.091 8.751 -0.019 1.00 54.14 H new ATOM 0 HD2 LYS A 5 8.609 8.167 -1.640 1.00 52.25 H new ATOM 0 HD3 LYS A 5 9.146 9.436 -2.722 1.00 52.25 H new ATOM 0 HE2 LYS A 5 11.317 7.692 -2.709 1.00 64.24 H new ATOM 0 HE3 LYS A 5 9.950 6.601 -2.604 1.00 64.24 H new ATOM 0 HZ1 LYS A 5 10.418 6.981 -4.886 1.00 61.41 H new ATOM 0 HZ2 LYS A 5 8.973 7.803 -4.540 1.00 61.41 H new ATOM 0 HZ3 LYS A 5 10.427 8.668 -4.688 1.00 61.41 H new ATOM 89 N PRO A 6 10.660 13.459 0.627 1.00 41.03 N ATOM 90 CA PRO A 6 10.629 14.925 0.623 1.00 20.43 C ATOM 91 C PRO A 6 10.321 15.494 -0.758 1.00 14.13 C ATOM 92 O PRO A 6 10.802 14.986 -1.770 1.00 40.43 O ATOM 93 CB PRO A 6 12.046 15.311 1.056 1.00 70.33 C ATOM 94 CG PRO A 6 12.892 14.148 0.663 1.00 35.25 C ATOM 95 CD PRO A 6 12.022 12.932 0.820 1.00 71.33 C ATOM 0 HA PRO A 6 9.848 15.318 1.274 1.00 20.43 H new ATOM 0 HB2 PRO A 6 12.376 16.225 0.562 1.00 70.33 H new ATOM 0 HB3 PRO A 6 12.096 15.492 2.130 1.00 70.33 H new ATOM 0 HG2 PRO A 6 13.241 14.249 -0.365 1.00 35.25 H new ATOM 0 HG3 PRO A 6 13.778 14.078 1.295 1.00 35.25 H new ATOM 0 HD2 PRO A 6 12.265 12.166 0.083 1.00 71.33 H new ATOM 0 HD3 PRO A 6 12.141 12.477 1.803 1.00 71.33 H new ATOM 103 N GLN A 7 9.515 16.551 -0.790 1.00 2.51 N ATOM 104 CA GLN A 7 9.143 17.189 -2.048 1.00 32.14 C ATOM 105 C GLN A 7 10.248 18.120 -2.534 1.00 51.25 C ATOM 106 O GLN A 7 10.128 18.747 -3.586 1.00 52.03 O ATOM 107 CB GLN A 7 7.838 17.970 -1.881 1.00 33.24 C ATOM 108 CG GLN A 7 7.313 18.560 -3.179 1.00 75.41 C ATOM 109 CD GLN A 7 5.812 18.777 -3.157 1.00 63.11 C ATOM 110 OE1 GLN A 7 5.113 18.454 -4.117 1.00 61.15 O ATOM 111 NE2 GLN A 7 5.309 19.325 -2.057 1.00 65.23 N ATOM 0 H GLN A 7 9.108 16.983 0.039 1.00 2.51 H new ATOM 0 HA GLN A 7 8.998 16.408 -2.794 1.00 32.14 H new ATOM 0 HB2 GLN A 7 7.080 17.310 -1.459 1.00 33.24 H new ATOM 0 HB3 GLN A 7 7.995 18.775 -1.163 1.00 33.24 H new ATOM 0 HG2 GLN A 7 7.811 19.511 -3.369 1.00 75.41 H new ATOM 0 HG3 GLN A 7 7.568 17.896 -4.005 1.00 75.41 H new ATOM 0 HE21 GLN A 7 5.926 19.577 -1.285 1.00 65.23 H new ATOM 0 HE22 GLN A 7 4.306 19.494 -1.984 1.00 65.23 H new ATOM 120 N VAL A 8 11.325 18.207 -1.760 1.00 24.42 N ATOM 121 CA VAL A 8 12.453 19.061 -2.112 1.00 3.13 C ATOM 122 C VAL A 8 13.777 18.407 -1.735 1.00 1.40 C ATOM 123 O VAL A 8 13.815 17.481 -0.924 1.00 44.03 O ATOM 124 CB VAL A 8 12.355 20.433 -1.421 1.00 13.53 C ATOM 125 CG1 VAL A 8 11.427 21.357 -2.194 1.00 14.30 C ATOM 126 CG2 VAL A 8 11.883 20.272 0.017 1.00 41.42 C ATOM 0 H VAL A 8 11.440 17.696 -0.885 1.00 24.42 H new ATOM 0 HA VAL A 8 12.417 19.203 -3.192 1.00 3.13 H new ATOM 0 HB VAL A 8 13.347 20.884 -1.407 1.00 13.53 H new ATOM 0 HG11 VAL A 8 11.371 22.322 -1.690 1.00 14.30 H new ATOM 0 HG12 VAL A 8 11.812 21.497 -3.204 1.00 14.30 H new ATOM 0 HG13 VAL A 8 10.432 20.915 -2.243 1.00 14.30 H new ATOM 0 HG21 VAL A 8 11.819 21.252 0.491 1.00 41.42 H new ATOM 0 HG22 VAL A 8 10.901 19.800 0.027 1.00 41.42 H new ATOM 0 HG23 VAL A 8 12.591 19.649 0.565 1.00 41.42 H new ATOM 136 N SER A 9 14.863 18.895 -2.327 1.00 73.30 N ATOM 137 CA SER A 9 16.190 18.356 -2.056 1.00 72.41 C ATOM 138 C SER A 9 16.946 19.244 -1.071 1.00 63.34 C ATOM 139 O SER A 9 16.925 20.469 -1.181 1.00 32.25 O ATOM 140 CB SER A 9 16.985 18.224 -3.356 1.00 3.21 C ATOM 141 OG SER A 9 18.354 18.526 -3.149 1.00 43.52 O ATOM 0 H SER A 9 14.849 19.663 -2.998 1.00 73.30 H new ATOM 0 HA SER A 9 16.071 17.369 -1.610 1.00 72.41 H new ATOM 0 HB2 SER A 9 16.888 17.210 -3.744 1.00 3.21 H new ATOM 0 HB3 SER A 9 16.571 18.895 -4.109 1.00 3.21 H new ATOM 0 HG SER A 9 18.754 17.847 -2.566 1.00 43.52 H new ATOM 147 N GLY A 10 17.614 18.614 -0.109 1.00 13.10 N ATOM 148 CA GLY A 10 18.367 19.361 0.882 1.00 73.33 C ATOM 149 C GLY A 10 18.985 18.466 1.936 1.00 32.34 C ATOM 150 O GLY A 10 19.851 17.645 1.634 1.00 32.53 O ATOM 0 H GLY A 10 17.647 17.601 0.002 1.00 13.10 H new ATOM 0 HA2 GLY A 10 19.154 19.928 0.384 1.00 73.33 H new ATOM 0 HA3 GLY A 10 17.709 20.084 1.364 1.00 73.33 H new ATOM 154 N VAL A 11 18.541 18.624 3.179 1.00 34.45 N ATOM 155 CA VAL A 11 19.056 17.822 4.283 1.00 54.12 C ATOM 156 C VAL A 11 17.989 17.607 5.351 1.00 74.13 C ATOM 157 O VAL A 11 17.119 18.455 5.555 1.00 44.12 O ATOM 158 CB VAL A 11 20.287 18.484 4.930 1.00 41.54 C ATOM 159 CG1 VAL A 11 20.872 17.586 6.009 1.00 61.21 C ATOM 160 CG2 VAL A 11 21.331 18.814 3.874 1.00 21.42 C ATOM 0 H VAL A 11 17.826 19.300 3.447 1.00 34.45 H new ATOM 0 HA VAL A 11 19.347 16.858 3.865 1.00 54.12 H new ATOM 0 HB VAL A 11 19.972 19.416 5.400 1.00 41.54 H new ATOM 0 HG11 VAL A 11 21.741 18.071 6.454 1.00 61.21 H new ATOM 0 HG12 VAL A 11 20.122 17.407 6.779 1.00 61.21 H new ATOM 0 HG13 VAL A 11 21.173 16.636 5.568 1.00 61.21 H new ATOM 0 HG21 VAL A 11 22.194 19.281 4.349 1.00 21.42 H new ATOM 0 HG22 VAL A 11 21.644 17.898 3.373 1.00 21.42 H new ATOM 0 HG23 VAL A 11 20.904 19.500 3.142 1.00 21.42 H new ATOM 170 N ILE A 12 18.061 16.467 6.030 1.00 44.22 N ATOM 171 CA ILE A 12 17.103 16.141 7.078 1.00 34.52 C ATOM 172 C ILE A 12 17.249 17.080 8.270 1.00 51.24 C ATOM 173 O ILE A 12 18.358 17.480 8.626 1.00 13.02 O ATOM 174 CB ILE A 12 17.269 14.687 7.561 1.00 1.31 C ATOM 175 CG1 ILE A 12 16.988 13.711 6.417 1.00 44.44 C ATOM 176 CG2 ILE A 12 16.346 14.411 8.739 1.00 43.23 C ATOM 177 CD1 ILE A 12 15.516 13.543 6.114 1.00 24.21 C ATOM 0 H ILE A 12 18.773 15.754 5.873 1.00 44.22 H new ATOM 0 HA ILE A 12 16.110 16.261 6.644 1.00 34.52 H new ATOM 0 HB ILE A 12 18.298 14.545 7.890 1.00 1.31 H new ATOM 0 HG12 ILE A 12 17.498 14.060 5.519 1.00 44.44 H new ATOM 0 HG13 ILE A 12 17.412 12.739 6.667 1.00 44.44 H new ATOM 0 HG21 ILE A 12 16.475 13.380 9.069 1.00 43.23 H new ATOM 0 HG22 ILE A 12 16.590 15.087 9.558 1.00 43.23 H new ATOM 0 HG23 ILE A 12 15.311 14.568 8.435 1.00 43.23 H new ATOM 0 HD11 ILE A 12 15.392 12.837 5.293 1.00 24.21 H new ATOM 0 HD12 ILE A 12 15.003 13.164 6.998 1.00 24.21 H new ATOM 0 HD13 ILE A 12 15.090 14.506 5.832 1.00 24.21 H new ATOM 189 N VAL A 13 16.123 17.429 8.883 1.00 55.42 N ATOM 190 CA VAL A 13 16.125 18.321 10.038 1.00 65.22 C ATOM 191 C VAL A 13 15.725 17.577 11.307 1.00 24.04 C ATOM 192 O VAL A 13 16.252 17.844 12.386 1.00 74.04 O ATOM 193 CB VAL A 13 15.169 19.510 9.830 1.00 53.33 C ATOM 194 CG1 VAL A 13 15.517 20.647 10.779 1.00 43.12 C ATOM 195 CG2 VAL A 13 15.209 19.980 8.384 1.00 50.52 C ATOM 0 H VAL A 13 15.197 17.108 8.600 1.00 55.42 H new ATOM 0 HA VAL A 13 17.142 18.697 10.146 1.00 65.22 H new ATOM 0 HB VAL A 13 14.154 19.181 10.052 1.00 53.33 H new ATOM 0 HG11 VAL A 13 14.831 21.479 10.618 1.00 43.12 H new ATOM 0 HG12 VAL A 13 15.431 20.300 11.809 1.00 43.12 H new ATOM 0 HG13 VAL A 13 16.539 20.978 10.591 1.00 43.12 H new ATOM 0 HG21 VAL A 13 14.527 20.821 8.256 1.00 50.52 H new ATOM 0 HG22 VAL A 13 16.222 20.292 8.131 1.00 50.52 H new ATOM 0 HG23 VAL A 13 14.906 19.164 7.728 1.00 50.52 H new ATOM 205 N ASN A 14 14.793 16.640 11.169 1.00 71.31 N ATOM 206 CA ASN A 14 14.322 15.857 12.305 1.00 23.00 C ATOM 207 C ASN A 14 13.411 14.724 11.844 1.00 33.22 C ATOM 208 O ASN A 14 13.066 14.629 10.666 1.00 31.25 O ATOM 209 CB ASN A 14 13.579 16.754 13.296 1.00 13.12 C ATOM 210 CG ASN A 14 13.615 16.206 14.711 1.00 41.12 C ATOM 211 OD1 ASN A 14 14.680 16.083 15.314 1.00 10.11 O ATOM 212 ND2 ASN A 14 12.445 15.874 15.246 1.00 2.00 N ATOM 0 H ASN A 14 14.349 16.404 10.281 1.00 71.31 H new ATOM 0 HA ASN A 14 15.190 15.422 12.800 1.00 23.00 H new ATOM 0 HB2 ASN A 14 14.022 17.750 13.283 1.00 13.12 H new ATOM 0 HB3 ASN A 14 12.542 16.862 12.977 1.00 13.12 H new ATOM 0 HD21 ASN A 14 12.406 15.500 16.194 1.00 2.00 H new ATOM 0 HD22 ASN A 14 11.586 15.993 14.709 1.00 2.00 H new ATOM 219 N LYS A 15 13.021 13.866 12.781 1.00 15.15 N ATOM 220 CA LYS A 15 12.147 12.740 12.474 1.00 10.10 C ATOM 221 C LYS A 15 11.074 12.576 13.547 1.00 44.20 C ATOM 222 O LYS A 15 11.312 11.963 14.588 1.00 1.45 O ATOM 223 CB LYS A 15 12.965 11.452 12.353 1.00 14.12 C ATOM 224 CG LYS A 15 14.045 11.515 11.288 1.00 44.31 C ATOM 225 CD LYS A 15 15.201 10.583 11.611 1.00 62.24 C ATOM 226 CE LYS A 15 14.764 9.126 11.594 1.00 71.33 C ATOM 227 NZ LYS A 15 15.843 8.217 12.070 1.00 63.02 N ATOM 0 H LYS A 15 13.297 13.929 13.761 1.00 15.15 H new ATOM 0 HA LYS A 15 11.656 12.942 11.522 1.00 10.10 H new ATOM 0 HB2 LYS A 15 13.428 11.234 13.315 1.00 14.12 H new ATOM 0 HB3 LYS A 15 12.292 10.624 12.128 1.00 14.12 H new ATOM 0 HG2 LYS A 15 13.620 11.247 10.321 1.00 44.31 H new ATOM 0 HG3 LYS A 15 14.414 12.537 11.202 1.00 44.31 H new ATOM 0 HD2 LYS A 15 16.003 10.732 10.888 1.00 62.24 H new ATOM 0 HD3 LYS A 15 15.606 10.831 12.592 1.00 62.24 H new ATOM 0 HE2 LYS A 15 13.883 9.004 12.224 1.00 71.33 H new ATOM 0 HE3 LYS A 15 14.474 8.846 10.581 1.00 71.33 H new ATOM 0 HZ1 LYS A 15 15.419 7.373 12.506 1.00 63.02 H new ATOM 0 HZ2 LYS A 15 16.436 7.930 11.265 1.00 63.02 H new ATOM 0 HZ3 LYS A 15 16.429 8.712 12.772 1.00 63.02 H new ATOM 241 N LEU A 16 9.894 13.124 13.284 1.00 73.44 N ATOM 242 CA LEU A 16 8.783 13.037 14.226 1.00 5.31 C ATOM 243 C LEU A 16 7.910 11.822 13.927 1.00 42.22 C ATOM 244 O LEU A 16 6.715 11.954 13.664 1.00 35.23 O ATOM 245 CB LEU A 16 7.940 14.312 14.170 1.00 11.43 C ATOM 246 CG LEU A 16 8.714 15.631 14.206 1.00 33.15 C ATOM 247 CD1 LEU A 16 9.175 16.017 12.810 1.00 31.05 C ATOM 248 CD2 LEU A 16 7.858 16.734 14.812 1.00 2.45 C ATOM 0 H LEU A 16 9.681 13.634 12.426 1.00 73.44 H new ATOM 0 HA LEU A 16 9.196 12.926 15.229 1.00 5.31 H new ATOM 0 HB2 LEU A 16 7.343 14.289 13.258 1.00 11.43 H new ATOM 0 HB3 LEU A 16 7.243 14.300 15.008 1.00 11.43 H new ATOM 0 HG LEU A 16 9.596 15.497 14.833 1.00 33.15 H new ATOM 0 HD11 LEU A 16 9.724 16.958 12.855 1.00 31.05 H new ATOM 0 HD12 LEU A 16 9.824 15.237 12.413 1.00 31.05 H new ATOM 0 HD13 LEU A 16 8.308 16.134 12.160 1.00 31.05 H new ATOM 0 HD21 LEU A 16 8.424 17.665 14.830 1.00 2.45 H new ATOM 0 HD22 LEU A 16 6.958 16.868 14.212 1.00 2.45 H new ATOM 0 HD23 LEU A 16 7.578 16.460 15.829 1.00 2.45 H new ATOM 260 N PHE A 17 8.514 10.640 13.971 1.00 24.12 N ATOM 261 CA PHE A 17 7.792 9.402 13.706 1.00 23.13 C ATOM 262 C PHE A 17 8.433 8.229 14.443 1.00 21.03 C ATOM 263 O PHE A 17 9.480 8.375 15.075 1.00 3.21 O ATOM 264 CB PHE A 17 7.759 9.117 12.203 1.00 43.53 C ATOM 265 CG PHE A 17 8.849 8.192 11.744 1.00 31.41 C ATOM 266 CD1 PHE A 17 10.179 8.567 11.837 1.00 2.52 C ATOM 267 CD2 PHE A 17 8.544 6.946 11.221 1.00 72.52 C ATOM 268 CE1 PHE A 17 11.185 7.717 11.414 1.00 55.43 C ATOM 269 CE2 PHE A 17 9.544 6.091 10.797 1.00 2.54 C ATOM 270 CZ PHE A 17 10.866 6.477 10.895 1.00 43.53 C ATOM 0 H PHE A 17 9.503 10.513 14.188 1.00 24.12 H new ATOM 0 HA PHE A 17 6.771 9.522 14.069 1.00 23.13 H new ATOM 0 HB2 PHE A 17 6.793 8.683 11.945 1.00 43.53 H new ATOM 0 HB3 PHE A 17 7.841 10.059 11.661 1.00 43.53 H new ATOM 0 HD1 PHE A 17 10.434 9.534 12.244 1.00 2.52 H new ATOM 0 HD2 PHE A 17 7.512 6.639 11.144 1.00 72.52 H new ATOM 0 HE1 PHE A 17 12.218 8.022 11.489 1.00 55.43 H new ATOM 0 HE2 PHE A 17 9.292 5.123 10.390 1.00 2.54 H new ATOM 0 HZ PHE A 17 11.650 5.810 10.566 1.00 43.53 H new ATOM 280 N LYS A 18 7.797 7.066 14.358 1.00 62.11 N ATOM 281 CA LYS A 18 8.304 5.867 15.015 1.00 73.43 C ATOM 282 C LYS A 18 8.376 4.699 14.036 1.00 0.51 C ATOM 283 O LYS A 18 7.676 4.681 13.025 1.00 61.33 O ATOM 284 CB LYS A 18 7.413 5.496 16.203 1.00 60.43 C ATOM 285 CG LYS A 18 7.663 6.343 17.438 1.00 11.20 C ATOM 286 CD LYS A 18 8.774 5.762 18.297 1.00 62.00 C ATOM 287 CE LYS A 18 9.040 6.624 19.521 1.00 13.35 C ATOM 288 NZ LYS A 18 8.211 6.205 20.686 1.00 63.02 N ATOM 0 H LYS A 18 6.929 6.928 13.840 1.00 62.11 H new ATOM 0 HA LYS A 18 9.311 6.079 15.375 1.00 73.43 H new ATOM 0 HB2 LYS A 18 6.368 5.597 15.909 1.00 60.43 H new ATOM 0 HB3 LYS A 18 7.573 4.447 16.453 1.00 60.43 H new ATOM 0 HG2 LYS A 18 7.927 7.357 17.138 1.00 11.20 H new ATOM 0 HG3 LYS A 18 6.747 6.412 18.024 1.00 11.20 H new ATOM 0 HD2 LYS A 18 8.503 4.754 18.612 1.00 62.00 H new ATOM 0 HD3 LYS A 18 9.686 5.676 17.706 1.00 62.00 H new ATOM 0 HE2 LYS A 18 10.096 6.563 19.786 1.00 13.35 H new ATOM 0 HE3 LYS A 18 8.831 7.667 19.283 1.00 13.35 H new ATOM 0 HZ1 LYS A 18 8.422 6.817 21.500 1.00 63.02 H new ATOM 0 HZ2 LYS A 18 7.203 6.287 20.443 1.00 63.02 H new ATOM 0 HZ3 LYS A 18 8.429 5.218 20.930 1.00 63.02 H new ATOM 302 N ALA A 19 9.226 3.726 14.345 1.00 31.44 N ATOM 303 CA ALA A 19 9.386 2.553 13.495 1.00 5.01 C ATOM 304 C ALA A 19 8.350 1.485 13.830 1.00 71.23 C ATOM 305 O ALA A 19 8.443 0.818 14.859 1.00 33.43 O ATOM 306 CB ALA A 19 10.792 1.988 13.633 1.00 1.13 C ATOM 0 H ALA A 19 9.815 3.727 15.178 1.00 31.44 H new ATOM 0 HA ALA A 19 9.230 2.862 12.461 1.00 5.01 H new ATOM 0 HB1 ALA A 19 10.897 1.112 12.992 1.00 1.13 H new ATOM 0 HB2 ALA A 19 11.519 2.744 13.336 1.00 1.13 H new ATOM 0 HB3 ALA A 19 10.969 1.702 14.670 1.00 1.13 H new ATOM 312 N GLY A 20 7.362 1.330 12.954 1.00 34.21 N ATOM 313 CA GLY A 20 6.322 0.342 13.176 1.00 0.33 C ATOM 314 C GLY A 20 5.077 0.942 13.800 1.00 25.52 C ATOM 315 O GLY A 20 4.191 0.217 14.251 1.00 32.30 O ATOM 0 H GLY A 20 7.263 1.871 12.095 1.00 34.21 H new ATOM 0 HA2 GLY A 20 6.060 -0.125 12.227 1.00 0.33 H new ATOM 0 HA3 GLY A 20 6.706 -0.446 13.824 1.00 0.33 H new ATOM 319 N ASP A 21 5.011 2.268 13.827 1.00 53.43 N ATOM 320 CA ASP A 21 3.866 2.965 14.401 1.00 34.11 C ATOM 321 C ASP A 21 2.832 3.289 13.326 1.00 3.31 C ATOM 322 O ASP A 21 2.996 2.924 12.161 1.00 13.51 O ATOM 323 CB ASP A 21 4.319 4.251 15.095 1.00 62.41 C ATOM 324 CG ASP A 21 4.532 4.060 16.584 1.00 54.24 C ATOM 325 OD1 ASP A 21 4.839 2.923 16.999 1.00 60.01 O ATOM 326 OD2 ASP A 21 4.391 5.050 17.333 1.00 22.44 O ATOM 0 H ASP A 21 5.737 2.882 13.458 1.00 53.43 H new ATOM 0 HA ASP A 21 3.404 2.308 15.138 1.00 34.11 H new ATOM 0 HB2 ASP A 21 5.246 4.599 14.640 1.00 62.41 H new ATOM 0 HB3 ASP A 21 3.573 5.029 14.934 1.00 62.41 H new ATOM 331 N LYS A 22 1.768 3.977 13.724 1.00 13.34 N ATOM 332 CA LYS A 22 0.707 4.352 12.797 1.00 74.33 C ATOM 333 C LYS A 22 0.820 5.822 12.406 1.00 23.22 C ATOM 334 O LYS A 22 1.324 6.642 13.174 1.00 21.01 O ATOM 335 CB LYS A 22 -0.664 4.083 13.423 1.00 51.03 C ATOM 336 CG LYS A 22 -1.326 2.814 12.916 1.00 20.34 C ATOM 337 CD LYS A 22 -2.712 3.092 12.359 1.00 22.24 C ATOM 338 CE LYS A 22 -3.756 3.141 13.464 1.00 60.20 C ATOM 339 NZ LYS A 22 -4.518 1.864 13.566 1.00 44.23 N ATOM 0 H LYS A 22 1.617 4.287 14.684 1.00 13.34 H new ATOM 0 HA LYS A 22 0.814 3.746 11.897 1.00 74.33 H new ATOM 0 HB2 LYS A 22 -0.553 4.017 14.505 1.00 51.03 H new ATOM 0 HB3 LYS A 22 -1.319 4.930 13.220 1.00 51.03 H new ATOM 0 HG2 LYS A 22 -0.705 2.363 12.142 1.00 20.34 H new ATOM 0 HG3 LYS A 22 -1.398 2.091 13.728 1.00 20.34 H new ATOM 0 HD2 LYS A 22 -2.706 4.040 11.820 1.00 22.24 H new ATOM 0 HD3 LYS A 22 -2.978 2.318 11.639 1.00 22.24 H new ATOM 0 HE2 LYS A 22 -3.268 3.349 14.416 1.00 60.20 H new ATOM 0 HE3 LYS A 22 -4.447 3.962 13.274 1.00 60.20 H new ATOM 0 HZ1 LYS A 22 -5.219 1.938 14.330 1.00 44.23 H new ATOM 0 HZ2 LYS A 22 -5.005 1.678 12.666 1.00 44.23 H new ATOM 0 HZ3 LYS A 22 -3.862 1.084 13.773 1.00 44.23 H new ATOM 353 N VAL A 23 0.346 6.149 11.208 1.00 23.55 N ATOM 354 CA VAL A 23 0.393 7.520 10.716 1.00 73.44 C ATOM 355 C VAL A 23 -1.009 8.052 10.440 1.00 65.34 C ATOM 356 O VAL A 23 -1.998 7.330 10.575 1.00 65.41 O ATOM 357 CB VAL A 23 1.233 7.628 9.431 1.00 4.01 C ATOM 358 CG1 VAL A 23 2.632 7.077 9.660 1.00 42.42 C ATOM 359 CG2 VAL A 23 0.547 6.902 8.283 1.00 21.41 C ATOM 0 H VAL A 23 -0.075 5.483 10.560 1.00 23.55 H new ATOM 0 HA VAL A 23 0.860 8.120 11.497 1.00 73.44 H new ATOM 0 HB VAL A 23 1.322 8.681 9.163 1.00 4.01 H new ATOM 0 HG11 VAL A 23 3.211 7.162 8.741 1.00 42.42 H new ATOM 0 HG12 VAL A 23 3.122 7.645 10.451 1.00 42.42 H new ATOM 0 HG13 VAL A 23 2.567 6.029 9.953 1.00 42.42 H new ATOM 0 HG21 VAL A 23 1.155 6.989 7.383 1.00 21.41 H new ATOM 0 HG22 VAL A 23 0.426 5.849 8.539 1.00 21.41 H new ATOM 0 HG23 VAL A 23 -0.432 7.347 8.104 1.00 21.41 H new ATOM 369 N LYS A 24 -1.089 9.321 10.051 1.00 22.34 N ATOM 370 CA LYS A 24 -2.369 9.951 9.752 1.00 31.22 C ATOM 371 C LYS A 24 -2.308 10.709 8.431 1.00 43.14 C ATOM 372 O LYS A 24 -1.272 10.735 7.766 1.00 20.40 O ATOM 373 CB LYS A 24 -2.768 10.904 10.882 1.00 12.11 C ATOM 374 CG LYS A 24 -3.518 10.224 12.014 1.00 54.24 C ATOM 375 CD LYS A 24 -4.714 11.048 12.463 1.00 52.41 C ATOM 376 CE LYS A 24 -5.801 11.080 11.399 1.00 24.24 C ATOM 377 NZ LYS A 24 -7.002 11.831 11.855 1.00 40.35 N ATOM 0 H LYS A 24 -0.281 9.933 9.936 1.00 22.34 H new ATOM 0 HA LYS A 24 -3.120 9.166 9.665 1.00 31.22 H new ATOM 0 HB2 LYS A 24 -1.870 11.375 11.283 1.00 12.11 H new ATOM 0 HB3 LYS A 24 -3.389 11.700 10.472 1.00 12.11 H new ATOM 0 HG2 LYS A 24 -3.854 9.239 11.689 1.00 54.24 H new ATOM 0 HG3 LYS A 24 -2.844 10.069 12.857 1.00 54.24 H new ATOM 0 HD2 LYS A 24 -5.119 10.631 13.385 1.00 52.41 H new ATOM 0 HD3 LYS A 24 -4.393 12.065 12.687 1.00 52.41 H new ATOM 0 HE2 LYS A 24 -5.408 11.540 10.492 1.00 24.24 H new ATOM 0 HE3 LYS A 24 -6.087 10.060 11.141 1.00 24.24 H new ATOM 0 HZ1 LYS A 24 -7.861 11.312 11.580 1.00 40.35 H new ATOM 0 HZ2 LYS A 24 -6.975 11.933 12.890 1.00 40.35 H new ATOM 0 HZ3 LYS A 24 -7.011 12.773 11.414 1.00 40.35 H new ATOM 391 N LYS A 25 -3.423 11.329 8.056 1.00 3.14 N ATOM 392 CA LYS A 25 -3.494 12.091 6.816 1.00 54.31 C ATOM 393 C LYS A 25 -2.896 13.482 6.997 1.00 63.31 C ATOM 394 O LYS A 25 -3.578 14.412 7.425 1.00 3.24 O ATOM 395 CB LYS A 25 -4.947 12.207 6.349 1.00 23.20 C ATOM 396 CG LYS A 25 -5.790 10.986 6.676 1.00 52.44 C ATOM 397 CD LYS A 25 -7.163 11.068 6.030 1.00 52.04 C ATOM 398 CE LYS A 25 -7.091 10.814 4.531 1.00 15.34 C ATOM 399 NZ LYS A 25 -7.125 12.082 3.752 1.00 54.12 N ATOM 0 H LYS A 25 -4.289 11.318 8.594 1.00 3.14 H new ATOM 0 HA LYS A 25 -2.915 11.561 6.059 1.00 54.31 H new ATOM 0 HB2 LYS A 25 -5.399 13.085 6.811 1.00 23.20 H new ATOM 0 HB3 LYS A 25 -4.962 12.370 5.271 1.00 23.20 H new ATOM 0 HG2 LYS A 25 -5.278 10.087 6.333 1.00 52.44 H new ATOM 0 HG3 LYS A 25 -5.900 10.897 7.757 1.00 52.44 H new ATOM 0 HD2 LYS A 25 -7.828 10.338 6.492 1.00 52.04 H new ATOM 0 HD3 LYS A 25 -7.594 12.052 6.213 1.00 52.04 H new ATOM 0 HE2 LYS A 25 -6.176 10.269 4.298 1.00 15.34 H new ATOM 0 HE3 LYS A 25 -7.925 10.180 4.230 1.00 15.34 H new ATOM 0 HZ1 LYS A 25 -8.086 12.240 3.388 1.00 54.12 H new ATOM 0 HZ2 LYS A 25 -6.854 12.875 4.368 1.00 54.12 H new ATOM 0 HZ3 LYS A 25 -6.459 12.018 2.956 1.00 54.12 H new ATOM 413 N GLY A 26 -1.615 13.618 6.666 1.00 62.31 N ATOM 414 CA GLY A 26 -0.946 14.899 6.796 1.00 13.20 C ATOM 415 C GLY A 26 -0.176 15.020 8.097 1.00 3.02 C ATOM 416 O GLY A 26 0.220 16.117 8.490 1.00 14.32 O ATOM 0 H GLY A 26 -1.029 12.863 6.310 1.00 62.31 H new ATOM 0 HA2 GLY A 26 -0.262 15.035 5.958 1.00 13.20 H new ATOM 0 HA3 GLY A 26 -1.684 15.699 6.738 1.00 13.20 H new ATOM 420 N GLN A 27 0.036 13.891 8.764 1.00 1.43 N ATOM 421 CA GLN A 27 0.763 13.877 10.029 1.00 32.30 C ATOM 422 C GLN A 27 2.264 14.002 9.796 1.00 5.01 C ATOM 423 O GLN A 27 2.853 13.228 9.040 1.00 45.33 O ATOM 424 CB GLN A 27 0.460 12.591 10.801 1.00 71.53 C ATOM 425 CG GLN A 27 0.055 12.830 12.246 1.00 54.12 C ATOM 426 CD GLN A 27 0.515 11.722 13.173 1.00 43.43 C ATOM 427 OE1 GLN A 27 -0.288 11.118 13.883 1.00 23.03 O ATOM 428 NE2 GLN A 27 1.815 11.450 13.169 1.00 11.53 N ATOM 0 H GLN A 27 -0.284 12.975 8.451 1.00 1.43 H new ATOM 0 HA GLN A 27 0.433 14.733 10.618 1.00 32.30 H new ATOM 0 HB2 GLN A 27 -0.339 12.052 10.293 1.00 71.53 H new ATOM 0 HB3 GLN A 27 1.341 11.949 10.781 1.00 71.53 H new ATOM 0 HG2 GLN A 27 0.473 13.778 12.584 1.00 54.12 H new ATOM 0 HG3 GLN A 27 -1.030 12.921 12.305 1.00 54.12 H new ATOM 0 HE21 GLN A 27 2.444 11.977 12.563 1.00 11.53 H new ATOM 0 HE22 GLN A 27 2.184 10.714 13.771 1.00 11.53 H new ATOM 437 N THR A 28 2.880 14.982 10.449 1.00 12.33 N ATOM 438 CA THR A 28 4.313 15.211 10.312 1.00 22.25 C ATOM 439 C THR A 28 5.111 14.014 10.818 1.00 25.22 C ATOM 440 O THR A 28 4.927 13.566 11.950 1.00 33.41 O ATOM 441 CB THR A 28 4.757 16.471 11.079 1.00 24.53 C ATOM 442 OG1 THR A 28 3.619 17.278 11.395 1.00 53.25 O ATOM 443 CG2 THR A 28 5.748 17.281 10.258 1.00 50.43 C ATOM 0 H THR A 28 2.408 15.631 11.079 1.00 12.33 H new ATOM 0 HA THR A 28 4.510 15.354 9.250 1.00 22.25 H new ATOM 0 HB THR A 28 5.245 16.156 12.001 1.00 24.53 H new ATOM 0 HG1 THR A 28 3.910 18.076 11.884 1.00 53.25 H new ATOM 0 HG21 THR A 28 6.048 18.166 10.819 1.00 50.43 H new ATOM 0 HG22 THR A 28 6.626 16.672 10.044 1.00 50.43 H new ATOM 0 HG23 THR A 28 5.281 17.586 9.322 1.00 50.43 H new ATOM 451 N LEU A 29 5.998 13.501 9.972 1.00 12.32 N ATOM 452 CA LEU A 29 6.827 12.356 10.334 1.00 61.41 C ATOM 453 C LEU A 29 8.307 12.674 10.150 1.00 33.33 C ATOM 454 O LEU A 29 9.158 12.161 10.877 1.00 64.31 O ATOM 455 CB LEU A 29 6.446 11.139 9.488 1.00 14.11 C ATOM 456 CG LEU A 29 4.983 10.702 9.562 1.00 73.11 C ATOM 457 CD1 LEU A 29 4.632 9.809 8.382 1.00 70.52 C ATOM 458 CD2 LEU A 29 4.704 9.986 10.876 1.00 44.01 C ATOM 0 H LEU A 29 6.162 13.859 9.031 1.00 12.32 H new ATOM 0 HA LEU A 29 6.652 12.130 11.386 1.00 61.41 H new ATOM 0 HB2 LEU A 29 6.688 11.355 8.447 1.00 14.11 H new ATOM 0 HB3 LEU A 29 7.071 10.300 9.793 1.00 14.11 H new ATOM 0 HG LEU A 29 4.356 11.593 9.517 1.00 73.11 H new ATOM 0 HD11 LEU A 29 3.587 9.508 8.452 1.00 70.52 H new ATOM 0 HD12 LEU A 29 4.791 10.355 7.452 1.00 70.52 H new ATOM 0 HD13 LEU A 29 5.266 8.923 8.395 1.00 70.52 H new ATOM 0 HD21 LEU A 29 3.658 9.683 10.910 1.00 44.01 H new ATOM 0 HD22 LEU A 29 5.340 9.104 10.952 1.00 44.01 H new ATOM 0 HD23 LEU A 29 4.914 10.658 11.708 1.00 44.01 H new ATOM 470 N PHE A 30 8.606 13.525 9.174 1.00 0.13 N ATOM 471 CA PHE A 30 9.984 13.913 8.895 1.00 11.51 C ATOM 472 C PHE A 30 10.065 15.384 8.496 1.00 64.25 C ATOM 473 O PHE A 30 9.046 16.021 8.224 1.00 62.45 O ATOM 474 CB PHE A 30 10.568 13.038 7.785 1.00 53.24 C ATOM 475 CG PHE A 30 10.462 11.566 8.062 1.00 35.10 C ATOM 476 CD1 PHE A 30 9.275 10.890 7.835 1.00 23.44 C ATOM 477 CD2 PHE A 30 11.548 10.860 8.552 1.00 5.22 C ATOM 478 CE1 PHE A 30 9.173 9.534 8.090 1.00 2.13 C ATOM 479 CE2 PHE A 30 11.454 9.505 8.808 1.00 64.14 C ATOM 480 CZ PHE A 30 10.265 8.842 8.578 1.00 70.51 C ATOM 0 H PHE A 30 7.913 13.959 8.564 1.00 0.13 H new ATOM 0 HA PHE A 30 10.567 13.769 9.805 1.00 11.51 H new ATOM 0 HB2 PHE A 30 10.055 13.261 6.850 1.00 53.24 H new ATOM 0 HB3 PHE A 30 11.617 13.298 7.643 1.00 53.24 H new ATOM 0 HD1 PHE A 30 8.419 11.427 7.455 1.00 23.44 H new ATOM 0 HD2 PHE A 30 12.480 11.374 8.736 1.00 5.22 H new ATOM 0 HE1 PHE A 30 8.242 9.018 7.908 1.00 2.13 H new ATOM 0 HE2 PHE A 30 12.309 8.966 9.187 1.00 64.14 H new ATOM 0 HZ PHE A 30 10.188 7.784 8.779 1.00 70.51 H new ATOM 490 N ILE A 31 11.281 15.917 8.464 1.00 65.41 N ATOM 491 CA ILE A 31 11.495 17.310 8.097 1.00 45.52 C ATOM 492 C ILE A 31 12.793 17.481 7.314 1.00 12.20 C ATOM 493 O ILE A 31 13.805 16.852 7.627 1.00 14.20 O ATOM 494 CB ILE A 31 11.534 18.220 9.338 1.00 1.34 C ATOM 495 CG1 ILE A 31 10.364 17.899 10.271 1.00 41.00 C ATOM 496 CG2 ILE A 31 11.503 19.684 8.926 1.00 44.03 C ATOM 497 CD1 ILE A 31 10.245 18.850 11.441 1.00 74.33 C ATOM 0 H ILE A 31 12.134 15.404 8.688 1.00 65.41 H new ATOM 0 HA ILE A 31 10.654 17.602 7.468 1.00 45.52 H new ATOM 0 HB ILE A 31 12.464 18.035 9.875 1.00 1.34 H new ATOM 0 HG12 ILE A 31 9.437 17.922 9.699 1.00 41.00 H new ATOM 0 HG13 ILE A 31 10.480 16.883 10.649 1.00 41.00 H new ATOM 0 HG21 ILE A 31 11.531 20.313 9.816 1.00 44.03 H new ATOM 0 HG22 ILE A 31 12.367 19.904 8.299 1.00 44.03 H new ATOM 0 HG23 ILE A 31 10.589 19.886 8.368 1.00 44.03 H new ATOM 0 HD11 ILE A 31 9.395 18.562 12.059 1.00 74.33 H new ATOM 0 HD12 ILE A 31 11.157 18.810 12.037 1.00 74.33 H new ATOM 0 HD13 ILE A 31 10.098 19.865 11.071 1.00 74.33 H new ATOM 509 N ILE A 32 12.757 18.335 6.297 1.00 51.50 N ATOM 510 CA ILE A 32 13.932 18.590 5.473 1.00 52.33 C ATOM 511 C ILE A 32 13.975 20.044 5.013 1.00 20.03 C ATOM 512 O ILE A 32 12.961 20.605 4.600 1.00 2.50 O ATOM 513 CB ILE A 32 13.962 17.672 4.237 1.00 60.42 C ATOM 514 CG1 ILE A 32 14.445 16.273 4.625 1.00 4.20 C ATOM 515 CG2 ILE A 32 14.854 18.266 3.157 1.00 11.21 C ATOM 516 CD1 ILE A 32 14.161 15.223 3.575 1.00 35.24 C ATOM 0 H ILE A 32 11.927 18.862 6.024 1.00 51.50 H new ATOM 0 HA ILE A 32 14.804 18.381 6.093 1.00 52.33 H new ATOM 0 HB ILE A 32 12.950 17.589 3.840 1.00 60.42 H new ATOM 0 HG12 ILE A 32 15.518 16.307 4.812 1.00 4.20 H new ATOM 0 HG13 ILE A 32 13.968 15.979 5.560 1.00 4.20 H new ATOM 0 HG21 ILE A 32 14.865 17.605 2.290 1.00 11.21 H new ATOM 0 HG22 ILE A 32 14.469 19.243 2.864 1.00 11.21 H new ATOM 0 HG23 ILE A 32 15.868 18.376 3.542 1.00 11.21 H new ATOM 0 HD11 ILE A 32 14.531 14.257 3.918 1.00 35.24 H new ATOM 0 HD12 ILE A 32 13.086 15.161 3.404 1.00 35.24 H new ATOM 0 HD13 ILE A 32 14.661 15.494 2.645 1.00 35.24 H new ATOM 528 N GLU A 33 15.158 20.647 5.087 1.00 31.21 N ATOM 529 CA GLU A 33 15.334 22.035 4.678 1.00 70.21 C ATOM 530 C GLU A 33 15.786 22.120 3.223 1.00 25.23 C ATOM 531 O GLU A 33 16.719 21.430 2.811 1.00 55.03 O ATOM 532 CB GLU A 33 16.353 22.731 5.581 1.00 13.44 C ATOM 533 CG GLU A 33 16.970 23.973 4.959 1.00 30.25 C ATOM 534 CD GLU A 33 18.349 23.713 4.383 1.00 32.31 C ATOM 535 OE1 GLU A 33 18.671 22.535 4.122 1.00 75.03 O ATOM 536 OE2 GLU A 33 19.106 24.688 4.193 1.00 33.12 O ATOM 0 H GLU A 33 16.008 20.196 5.426 1.00 31.21 H new ATOM 0 HA GLU A 33 14.372 22.539 4.772 1.00 70.21 H new ATOM 0 HB2 GLU A 33 15.868 23.007 6.517 1.00 13.44 H new ATOM 0 HB3 GLU A 33 17.147 22.027 5.829 1.00 13.44 H new ATOM 0 HG2 GLU A 33 16.315 24.344 4.171 1.00 30.25 H new ATOM 0 HG3 GLU A 33 17.037 24.757 5.713 1.00 30.25 H new ATOM 543 N GLN A 34 15.119 22.971 2.450 1.00 33.42 N ATOM 544 CA GLN A 34 15.450 23.144 1.041 1.00 12.31 C ATOM 545 C GLN A 34 15.690 24.615 0.716 1.00 22.20 C ATOM 546 O GLN A 34 15.975 25.419 1.604 1.00 12.12 O ATOM 547 CB GLN A 34 14.330 22.591 0.159 1.00 42.42 C ATOM 548 CG GLN A 34 13.133 23.520 0.042 1.00 73.23 C ATOM 549 CD GLN A 34 12.751 24.149 1.368 1.00 73.30 C ATOM 550 OE1 GLN A 34 12.266 23.330 2.294 1.00 45.11 O flip ATOM 551 NE2 GLN A 34 12.888 25.358 1.557 1.00 5.44 N flip ATOM 0 H GLN A 34 14.346 23.551 2.776 1.00 33.42 H new ATOM 0 HA GLN A 34 16.367 22.591 0.839 1.00 12.31 H new ATOM 0 HB2 GLN A 34 14.726 22.396 -0.837 1.00 42.42 H new ATOM 0 HB3 GLN A 34 13.999 21.635 0.564 1.00 42.42 H new ATOM 0 HG2 GLN A 34 13.358 24.307 -0.678 1.00 73.23 H new ATOM 0 HG3 GLN A 34 12.282 22.963 -0.350 1.00 73.23 H new ATOM 0 HE21 GLN A 34 13.265 25.950 0.817 1.00 5.44 H new ATOM 0 HE22 GLN A 34 12.625 25.767 2.453 1.00 5.44 H new ATOM 560 N ASP A 35 15.574 24.960 -0.561 1.00 3.21 N ATOM 561 CA ASP A 35 15.778 26.335 -1.005 1.00 13.35 C ATOM 562 C ASP A 35 17.263 26.634 -1.179 1.00 50.42 C ATOM 563 O ASP A 35 17.640 27.742 -1.563 1.00 4.25 O ATOM 564 CB ASP A 35 15.162 27.312 -0.002 1.00 30.22 C ATOM 565 CG ASP A 35 14.420 28.446 -0.680 1.00 1.43 C ATOM 566 OD1 ASP A 35 15.018 29.108 -1.555 1.00 33.33 O ATOM 567 OD2 ASP A 35 13.241 28.673 -0.337 1.00 12.25 O ATOM 0 H ASP A 35 15.340 24.306 -1.308 1.00 3.21 H new ATOM 0 HA ASP A 35 15.286 26.458 -1.970 1.00 13.35 H new ATOM 0 HB2 ASP A 35 14.477 26.773 0.652 1.00 30.22 H new ATOM 0 HB3 ASP A 35 15.949 27.723 0.630 1.00 30.22 H new ATOM 572 N GLN A 36 18.099 25.641 -0.896 1.00 42.11 N ATOM 573 CA GLN A 36 19.543 25.801 -1.021 1.00 1.44 C ATOM 574 C GLN A 36 20.001 27.118 -0.404 1.00 62.21 C ATOM 575 O GLN A 36 20.634 27.939 -1.069 1.00 71.10 O ATOM 576 CB GLN A 36 19.960 25.740 -2.492 1.00 54.23 C ATOM 577 CG GLN A 36 18.926 25.078 -3.389 1.00 60.01 C ATOM 578 CD GLN A 36 18.467 23.735 -2.858 1.00 71.11 C ATOM 579 OE1 GLN A 36 19.281 22.857 -2.570 1.00 63.44 O ATOM 580 NE2 GLN A 36 17.156 23.567 -2.726 1.00 32.13 N ATOM 0 H GLN A 36 17.802 24.718 -0.579 1.00 42.11 H new ATOM 0 HA GLN A 36 20.021 24.983 -0.482 1.00 1.44 H new ATOM 0 HB2 GLN A 36 20.146 26.752 -2.851 1.00 54.23 H new ATOM 0 HB3 GLN A 36 20.901 25.196 -2.572 1.00 54.23 H new ATOM 0 HG2 GLN A 36 18.064 25.738 -3.492 1.00 60.01 H new ATOM 0 HG3 GLN A 36 19.347 24.946 -4.386 1.00 60.01 H new ATOM 0 HE21 GLN A 36 16.517 24.322 -2.977 1.00 32.13 H new ATOM 0 HE22 GLN A 36 16.788 22.683 -2.374 1.00 32.13 H new ATOM 589 N ALA A 37 19.678 27.314 0.870 1.00 61.11 N ATOM 590 CA ALA A 37 20.057 28.531 1.576 1.00 4.34 C ATOM 591 C ALA A 37 21.366 28.340 2.336 1.00 64.11 C ATOM 592 O ALA A 37 21.580 28.947 3.384 1.00 2.32 O ATOM 593 CB ALA A 37 18.949 28.956 2.529 1.00 62.32 C ATOM 0 H ALA A 37 19.154 26.645 1.434 1.00 61.11 H new ATOM 0 HA ALA A 37 20.207 29.318 0.837 1.00 4.34 H new ATOM 0 HB1 ALA A 37 19.246 29.866 3.049 1.00 62.32 H new ATOM 0 HB2 ALA A 37 18.035 29.142 1.965 1.00 62.32 H new ATOM 0 HB3 ALA A 37 18.771 28.164 3.256 1.00 62.32 H new ATOM 599 N SER A 38 22.238 27.493 1.799 1.00 20.50 N ATOM 600 CA SER A 38 23.523 27.218 2.428 1.00 45.40 C ATOM 601 C SER A 38 23.332 26.584 3.802 1.00 32.11 C ATOM 602 O SER A 38 22.208 26.454 4.288 1.00 75.23 O ATOM 603 CB SER A 38 24.338 28.507 2.558 1.00 75.04 C ATOM 604 OG SER A 38 24.451 29.167 1.309 1.00 14.21 O ATOM 0 H SER A 38 22.077 26.985 0.929 1.00 20.50 H new ATOM 0 HA SER A 38 24.065 26.515 1.795 1.00 45.40 H new ATOM 0 HB2 SER A 38 23.863 29.170 3.281 1.00 75.04 H new ATOM 0 HB3 SER A 38 25.332 28.276 2.942 1.00 75.04 H new ATOM 0 HG SER A 38 24.974 29.988 1.419 1.00 14.21 H new ATOM 610 N LYS A 39 24.437 26.189 4.424 1.00 25.01 N ATOM 611 CA LYS A 39 24.393 25.568 5.743 1.00 45.52 C ATOM 612 C LYS A 39 24.909 26.526 6.813 1.00 64.44 C ATOM 613 O LYS A 39 24.260 26.734 7.838 1.00 45.11 O ATOM 614 CB LYS A 39 25.223 24.282 5.752 1.00 44.42 C ATOM 615 CG LYS A 39 24.499 23.087 5.160 1.00 31.43 C ATOM 616 CD LYS A 39 24.266 23.257 3.668 1.00 55.10 C ATOM 617 CE LYS A 39 25.578 23.381 2.910 1.00 62.45 C ATOM 618 NZ LYS A 39 26.502 22.253 3.213 1.00 41.24 N ATOM 0 H LYS A 39 25.375 26.288 4.036 1.00 25.01 H new ATOM 0 HA LYS A 39 23.355 25.325 5.968 1.00 45.52 H new ATOM 0 HB2 LYS A 39 26.145 24.450 5.195 1.00 44.42 H new ATOM 0 HB3 LYS A 39 25.509 24.051 6.778 1.00 44.42 H new ATOM 0 HG2 LYS A 39 25.082 22.183 5.337 1.00 31.43 H new ATOM 0 HG3 LYS A 39 23.543 22.953 5.665 1.00 31.43 H new ATOM 0 HD2 LYS A 39 23.704 22.405 3.287 1.00 55.10 H new ATOM 0 HD3 LYS A 39 23.658 24.144 3.492 1.00 55.10 H new ATOM 0 HE2 LYS A 39 25.377 23.409 1.839 1.00 62.45 H new ATOM 0 HE3 LYS A 39 26.059 24.324 3.169 1.00 62.45 H new ATOM 0 HZ1 LYS A 39 27.021 21.988 2.352 1.00 41.24 H new ATOM 0 HZ2 LYS A 39 27.177 22.545 3.948 1.00 41.24 H new ATOM 0 HZ3 LYS A 39 25.954 21.437 3.551 1.00 41.24 H new ATOM 632 N ASP A 40 26.078 27.108 6.565 1.00 23.13 N ATOM 633 CA ASP A 40 26.679 28.046 7.506 1.00 72.50 C ATOM 634 C ASP A 40 26.418 29.487 7.078 1.00 63.32 C ATOM 635 O ASP A 40 27.259 30.364 7.273 1.00 43.22 O ATOM 636 CB ASP A 40 28.184 27.797 7.616 1.00 71.01 C ATOM 637 CG ASP A 40 28.773 28.364 8.893 1.00 64.11 C ATOM 638 OD1 ASP A 40 28.049 29.084 9.612 1.00 41.01 O ATOM 639 OD2 ASP A 40 29.958 28.087 9.173 1.00 42.24 O ATOM 0 H ASP A 40 26.627 26.947 5.721 1.00 23.13 H new ATOM 0 HA ASP A 40 26.221 27.888 8.482 1.00 72.50 H new ATOM 0 HB2 ASP A 40 28.376 26.725 7.576 1.00 71.01 H new ATOM 0 HB3 ASP A 40 28.687 28.243 6.758 1.00 71.01 H new ATOM 644 N PHE A 41 25.249 29.722 6.493 1.00 42.33 N ATOM 645 CA PHE A 41 24.878 31.056 6.034 1.00 0.02 C ATOM 646 C PHE A 41 23.486 31.434 6.531 1.00 50.01 C ATOM 647 O PHE A 41 22.969 30.840 7.476 1.00 24.42 O ATOM 648 CB PHE A 41 24.923 31.125 4.506 1.00 3.35 C ATOM 649 CG PHE A 41 25.614 32.350 3.982 1.00 0.41 C ATOM 650 CD1 PHE A 41 26.920 32.637 4.349 1.00 51.30 C ATOM 651 CD2 PHE A 41 24.959 33.216 3.122 1.00 64.13 C ATOM 652 CE1 PHE A 41 27.557 33.766 3.868 1.00 34.04 C ATOM 653 CE2 PHE A 41 25.592 34.346 2.637 1.00 41.02 C ATOM 654 CZ PHE A 41 26.894 34.620 3.011 1.00 61.34 C ATOM 0 H PHE A 41 24.542 29.006 6.325 1.00 42.33 H new ATOM 0 HA PHE A 41 25.596 31.766 6.443 1.00 0.02 H new ATOM 0 HB2 PHE A 41 25.432 30.240 4.125 1.00 3.35 H new ATOM 0 HB3 PHE A 41 23.904 31.099 4.119 1.00 3.35 H new ATOM 0 HD1 PHE A 41 27.445 31.971 5.018 1.00 51.30 H new ATOM 0 HD2 PHE A 41 23.942 33.006 2.827 1.00 64.13 H new ATOM 0 HE1 PHE A 41 28.574 33.979 4.163 1.00 34.04 H new ATOM 0 HE2 PHE A 41 25.070 35.013 1.967 1.00 41.02 H new ATOM 0 HZ PHE A 41 27.391 35.501 2.633 1.00 61.34 H new ATOM 664 N ASN A 42 22.883 32.427 5.885 1.00 3.30 N ATOM 665 CA ASN A 42 21.551 32.886 6.261 1.00 4.41 C ATOM 666 C ASN A 42 21.623 33.871 7.424 1.00 22.32 C ATOM 667 O ASN A 42 20.598 34.349 7.910 1.00 72.40 O ATOM 668 CB ASN A 42 20.666 31.697 6.638 1.00 2.24 C ATOM 669 CG ASN A 42 20.459 31.583 8.136 1.00 24.04 C ATOM 670 OD1 ASN A 42 21.369 31.848 8.922 1.00 15.30 O ATOM 671 ND2 ASN A 42 19.258 31.185 8.539 1.00 41.22 N ATOM 0 H ASN A 42 23.296 32.929 5.099 1.00 3.30 H new ATOM 0 HA ASN A 42 21.114 33.397 5.403 1.00 4.41 H new ATOM 0 HB2 ASN A 42 19.698 31.798 6.147 1.00 2.24 H new ATOM 0 HB3 ASN A 42 21.119 30.778 6.265 1.00 2.24 H new ATOM 0 HD22 ASN A 42 18.533 30.976 7.853 1.00 41.22 H new ATOM 677 N ARG A 43 22.840 34.170 7.865 1.00 5.34 N ATOM 678 CA ARG A 43 23.046 35.096 8.971 1.00 13.05 C ATOM 679 C ARG A 43 22.575 34.485 10.288 1.00 32.11 C ATOM 680 O ARG A 43 23.367 34.278 11.207 1.00 51.12 O ATOM 681 CB ARG A 43 22.303 36.408 8.711 1.00 1.33 C ATOM 682 CG ARG A 43 23.210 37.627 8.689 1.00 71.13 C ATOM 683 CD ARG A 43 22.578 38.805 9.415 1.00 44.22 C ATOM 684 NE ARG A 43 23.560 39.833 9.747 1.00 44.22 N ATOM 685 CZ ARG A 43 23.235 41.057 10.150 1.00 42.10 C ATOM 686 NH1 ARG A 43 21.961 41.402 10.271 1.00 51.22 N ATOM 687 NH2 ARG A 43 24.186 41.938 10.433 1.00 3.43 N ATOM 0 H ARG A 43 23.699 33.784 7.473 1.00 5.34 H new ATOM 0 HA ARG A 43 24.114 35.300 9.046 1.00 13.05 H new ATOM 0 HB2 ARG A 43 21.781 36.337 7.757 1.00 1.33 H new ATOM 0 HB3 ARG A 43 21.544 36.544 9.481 1.00 1.33 H new ATOM 0 HG2 ARG A 43 24.164 37.380 9.155 1.00 71.13 H new ATOM 0 HG3 ARG A 43 23.422 37.906 7.657 1.00 71.13 H new ATOM 0 HD2 ARG A 43 21.796 39.238 8.791 1.00 44.22 H new ATOM 0 HD3 ARG A 43 22.098 38.453 10.328 1.00 44.22 H new ATOM 0 HE ARG A 43 24.549 39.599 9.665 1.00 44.22 H new ATOM 0 HH11 ARG A 43 21.227 40.727 10.055 1.00 51.22 H new ATOM 0 HH12 ARG A 43 21.714 42.342 10.581 1.00 51.22 H new ATOM 0 HH21 ARG A 43 25.168 41.676 10.341 1.00 3.43 H new ATOM 0 HH22 ARG A 43 23.936 42.877 10.742 1.00 3.43 H new ATOM 701 N SER A 44 21.280 34.197 10.370 1.00 34.22 N ATOM 702 CA SER A 44 20.702 33.614 11.575 1.00 35.25 C ATOM 703 C SER A 44 20.785 34.589 12.745 1.00 2.15 C ATOM 704 O SER A 44 21.871 35.021 13.133 1.00 63.43 O ATOM 705 CB SER A 44 21.419 32.310 11.931 1.00 33.10 C ATOM 706 OG SER A 44 21.363 32.060 13.324 1.00 32.24 O ATOM 0 H SER A 44 20.611 34.358 9.617 1.00 34.22 H new ATOM 0 HA SER A 44 19.652 33.401 11.377 1.00 35.25 H new ATOM 0 HB2 SER A 44 20.961 31.481 11.391 1.00 33.10 H new ATOM 0 HB3 SER A 44 22.459 32.364 11.610 1.00 33.10 H new ATOM 0 HG SER A 44 22.069 31.426 13.571 1.00 32.24 H new ATOM 712 N LYS A 45 19.630 34.931 13.306 1.00 64.21 N ATOM 713 CA LYS A 45 19.569 35.854 14.433 1.00 25.04 C ATOM 714 C LYS A 45 20.564 35.452 15.519 1.00 74.34 C ATOM 715 O LYS A 45 21.524 36.170 15.790 1.00 44.31 O ATOM 716 CB LYS A 45 18.153 35.893 15.011 1.00 11.22 C ATOM 717 CG LYS A 45 17.066 35.965 13.954 1.00 0.01 C ATOM 718 CD LYS A 45 16.401 34.615 13.745 1.00 24.41 C ATOM 719 CE LYS A 45 15.877 34.465 12.324 1.00 52.32 C ATOM 720 NZ LYS A 45 16.977 34.506 11.321 1.00 43.24 N ATOM 0 H LYS A 45 18.722 34.582 12.998 1.00 64.21 H new ATOM 0 HA LYS A 45 19.834 36.848 14.072 1.00 25.04 H new ATOM 0 HB2 LYS A 45 17.995 35.005 15.623 1.00 11.22 H new ATOM 0 HB3 LYS A 45 18.063 36.755 15.672 1.00 11.22 H new ATOM 0 HG2 LYS A 45 16.317 36.699 14.251 1.00 0.01 H new ATOM 0 HG3 LYS A 45 17.495 36.310 13.013 1.00 0.01 H new ATOM 0 HD2 LYS A 45 17.116 33.820 13.956 1.00 24.41 H new ATOM 0 HD3 LYS A 45 15.579 34.500 14.451 1.00 24.41 H new ATOM 0 HE2 LYS A 45 15.338 33.522 12.233 1.00 52.32 H new ATOM 0 HE3 LYS A 45 15.164 35.262 12.114 1.00 52.32 H new ATOM 0 HZ1 LYS A 45 16.600 34.266 10.382 1.00 43.24 H new ATOM 0 HZ2 LYS A 45 17.388 35.461 11.296 1.00 43.24 H new ATOM 0 HZ3 LYS A 45 17.712 33.819 11.584 1.00 43.24 H new ATOM 734 N ALA A 46 20.324 34.300 16.136 1.00 11.31 N ATOM 735 CA ALA A 46 21.199 33.802 17.190 1.00 5.41 C ATOM 736 C ALA A 46 20.808 32.388 17.606 1.00 53.15 C ATOM 737 O ALA A 46 19.638 32.010 17.533 1.00 11.11 O ATOM 738 CB ALA A 46 21.166 34.736 18.390 1.00 33.23 C ATOM 0 H ALA A 46 19.531 33.694 15.924 1.00 11.31 H new ATOM 0 HA ALA A 46 22.216 33.769 16.798 1.00 5.41 H new ATOM 0 HB1 ALA A 46 21.824 34.351 19.169 1.00 33.23 H new ATOM 0 HB2 ALA A 46 21.502 35.728 18.088 1.00 33.23 H new ATOM 0 HB3 ALA A 46 20.148 34.799 18.774 1.00 33.23 H new ATOM 744 N LEU A 47 21.793 31.611 18.042 1.00 23.43 N ATOM 745 CA LEU A 47 21.551 30.238 18.470 1.00 23.44 C ATOM 746 C LEU A 47 20.874 30.203 19.835 1.00 75.22 C ATOM 747 O LEU A 47 20.650 31.243 20.455 1.00 73.03 O ATOM 748 CB LEU A 47 22.867 29.460 18.521 1.00 5.03 C ATOM 749 CG LEU A 47 23.662 29.395 17.216 1.00 13.31 C ATOM 750 CD1 LEU A 47 24.853 30.340 17.268 1.00 34.30 C ATOM 751 CD2 LEU A 47 24.120 27.971 16.940 1.00 2.30 C ATOM 0 H LEU A 47 22.766 31.908 18.108 1.00 23.43 H new ATOM 0 HA LEU A 47 20.886 29.770 17.744 1.00 23.44 H new ATOM 0 HB2 LEU A 47 23.501 29.908 19.287 1.00 5.03 H new ATOM 0 HB3 LEU A 47 22.651 28.441 18.842 1.00 5.03 H new ATOM 0 HG LEU A 47 23.010 29.710 16.401 1.00 13.31 H new ATOM 0 HD11 LEU A 47 25.406 30.280 16.331 1.00 34.30 H new ATOM 0 HD12 LEU A 47 24.501 31.361 17.417 1.00 34.30 H new ATOM 0 HD13 LEU A 47 25.506 30.057 18.094 1.00 34.30 H new ATOM 0 HD21 LEU A 47 24.684 27.944 16.008 1.00 2.30 H new ATOM 0 HD22 LEU A 47 24.754 27.628 17.757 1.00 2.30 H new ATOM 0 HD23 LEU A 47 23.251 27.319 16.857 1.00 2.30 H new ATOM 763 N PHE A 48 20.551 29.001 20.301 1.00 62.12 N ATOM 764 CA PHE A 48 19.900 28.831 21.594 1.00 72.14 C ATOM 765 C PHE A 48 20.933 28.702 22.711 1.00 61.42 C ATOM 766 O PHE A 48 21.979 28.079 22.533 1.00 54.42 O ATOM 767 CB PHE A 48 18.996 27.597 21.576 1.00 55.14 C ATOM 768 CG PHE A 48 17.591 27.890 21.130 1.00 21.44 C ATOM 769 CD1 PHE A 48 17.354 28.683 20.020 1.00 61.23 C ATOM 770 CD2 PHE A 48 16.508 27.371 21.823 1.00 42.32 C ATOM 771 CE1 PHE A 48 16.063 28.954 19.606 1.00 53.22 C ATOM 772 CE2 PHE A 48 15.215 27.639 21.414 1.00 20.45 C ATOM 773 CZ PHE A 48 14.992 28.432 20.306 1.00 21.33 C ATOM 0 H PHE A 48 20.730 28.130 19.802 1.00 62.12 H new ATOM 0 HA PHE A 48 19.292 29.715 21.785 1.00 72.14 H new ATOM 0 HB2 PHE A 48 19.430 26.848 20.914 1.00 55.14 H new ATOM 0 HB3 PHE A 48 18.968 27.162 22.575 1.00 55.14 H new ATOM 0 HD1 PHE A 48 18.188 29.095 19.471 1.00 61.23 H new ATOM 0 HD2 PHE A 48 16.676 26.751 22.691 1.00 42.32 H new ATOM 0 HE1 PHE A 48 15.892 29.572 18.737 1.00 53.22 H new ATOM 0 HE2 PHE A 48 14.379 27.228 21.961 1.00 20.45 H new ATOM 0 HZ PHE A 48 13.982 28.644 19.987 1.00 21.33 H new ATOM 783 N SER A 49 20.629 29.296 23.860 1.00 45.11 N ATOM 784 CA SER A 49 21.533 29.253 25.004 1.00 72.42 C ATOM 785 C SER A 49 20.749 29.188 26.312 1.00 23.42 C ATOM 786 O SER A 49 21.212 29.663 27.348 1.00 21.24 O ATOM 787 CB SER A 49 22.449 30.478 25.005 1.00 35.33 C ATOM 788 OG SER A 49 23.798 30.106 25.225 1.00 41.43 O ATOM 0 H SER A 49 19.765 29.812 24.024 1.00 45.11 H new ATOM 0 HA SER A 49 22.143 28.354 24.920 1.00 72.42 H new ATOM 0 HB2 SER A 49 22.363 31.001 24.052 1.00 35.33 H new ATOM 0 HB3 SER A 49 22.129 31.174 25.780 1.00 35.33 H new ATOM 0 HG SER A 49 24.363 30.907 25.220 1.00 41.43 H new ATOM 794 N GLN A 50 19.561 28.595 26.254 1.00 20.21 N ATOM 795 CA GLN A 50 18.713 28.468 27.433 1.00 23.44 C ATOM 796 C GLN A 50 18.293 29.839 27.953 1.00 44.10 C ATOM 797 O GLN A 50 19.072 30.530 28.609 1.00 22.14 O ATOM 798 CB GLN A 50 19.444 27.695 28.532 1.00 34.23 C ATOM 799 CG GLN A 50 18.573 26.664 29.233 1.00 33.01 C ATOM 800 CD GLN A 50 19.154 25.266 29.165 1.00 23.24 C ATOM 801 OE1 GLN A 50 20.372 25.086 29.163 1.00 0.53 O ATOM 802 NE2 GLN A 50 18.283 24.265 29.109 1.00 22.54 N ATOM 0 H GLN A 50 19.164 28.195 25.404 1.00 20.21 H new ATOM 0 HA GLN A 50 17.816 27.918 27.146 1.00 23.44 H new ATOM 0 HB2 GLN A 50 20.309 27.193 28.098 1.00 34.23 H new ATOM 0 HB3 GLN A 50 19.823 28.401 29.271 1.00 34.23 H new ATOM 0 HG2 GLN A 50 18.447 26.950 30.277 1.00 33.01 H new ATOM 0 HG3 GLN A 50 17.581 26.664 28.780 1.00 33.01 H new ATOM 0 HE21 GLN A 50 17.282 24.459 29.113 1.00 22.54 H new ATOM 0 HE22 GLN A 50 18.615 23.302 29.062 1.00 22.54 H new ATOM 811 N SER A 51 17.059 30.227 27.652 1.00 15.12 N ATOM 812 CA SER A 51 16.537 31.518 28.086 1.00 54.33 C ATOM 813 C SER A 51 17.487 32.646 27.696 1.00 62.04 C ATOM 814 O SER A 51 17.791 33.523 28.504 1.00 3.50 O ATOM 815 CB SER A 51 16.318 31.521 29.600 1.00 1.21 C ATOM 816 OG SER A 51 15.471 32.588 29.990 1.00 34.12 O ATOM 0 H SER A 51 16.402 29.667 27.110 1.00 15.12 H new ATOM 0 HA SER A 51 15.581 31.682 27.588 1.00 54.33 H new ATOM 0 HB2 SER A 51 15.879 30.572 29.909 1.00 1.21 H new ATOM 0 HB3 SER A 51 17.278 31.609 30.109 1.00 1.21 H new ATOM 0 HG SER A 51 15.856 33.438 29.689 1.00 34.12 H new ATOM 822 N ALA A 52 17.951 32.617 26.451 1.00 23.21 N ATOM 823 CA ALA A 52 18.865 33.637 25.952 1.00 32.13 C ATOM 824 C ALA A 52 18.142 34.620 25.037 1.00 4.40 C ATOM 825 O ALA A 52 18.616 35.734 24.811 1.00 12.40 O ATOM 826 CB ALA A 52 20.030 32.988 25.218 1.00 75.12 C ATOM 0 H ALA A 52 17.709 31.898 25.769 1.00 23.21 H new ATOM 0 HA ALA A 52 19.252 34.193 26.806 1.00 32.13 H new ATOM 0 HB1 ALA A 52 20.705 33.761 24.851 1.00 75.12 H new ATOM 0 HB2 ALA A 52 20.569 32.330 25.900 1.00 75.12 H new ATOM 0 HB3 ALA A 52 19.652 32.407 24.377 1.00 75.12 H new ATOM 832 N ILE A 53 16.996 34.201 24.514 1.00 34.32 N ATOM 833 CA ILE A 53 16.209 35.047 23.625 1.00 21.51 C ATOM 834 C ILE A 53 14.743 35.071 24.044 1.00 15.32 C ATOM 835 O ILE A 53 13.903 35.665 23.369 1.00 44.32 O ATOM 836 CB ILE A 53 16.304 34.568 22.164 1.00 63.13 C ATOM 837 CG1 ILE A 53 16.276 33.039 22.101 1.00 41.30 C ATOM 838 CG2 ILE A 53 17.568 35.108 21.511 1.00 22.45 C ATOM 839 CD1 ILE A 53 15.665 32.498 20.829 1.00 75.31 C ATOM 0 H ILE A 53 16.591 33.281 24.690 1.00 34.32 H new ATOM 0 HA ILE A 53 16.622 36.053 23.698 1.00 21.51 H new ATOM 0 HB ILE A 53 15.443 34.950 21.616 1.00 63.13 H new ATOM 0 HG12 ILE A 53 17.294 32.661 22.195 1.00 41.30 H new ATOM 0 HG13 ILE A 53 15.715 32.659 22.954 1.00 41.30 H new ATOM 0 HG21 ILE A 53 17.621 34.761 20.479 1.00 22.45 H new ATOM 0 HG22 ILE A 53 17.549 36.198 21.527 1.00 22.45 H new ATOM 0 HG23 ILE A 53 18.441 34.753 22.059 1.00 22.45 H new ATOM 0 HD11 ILE A 53 15.679 31.408 20.854 1.00 75.31 H new ATOM 0 HD12 ILE A 53 14.636 32.846 20.743 1.00 75.31 H new ATOM 0 HD13 ILE A 53 16.239 32.849 19.972 1.00 75.31 H new ATOM 851 N SER A 54 14.443 34.425 25.166 1.00 34.13 N ATOM 852 CA SER A 54 13.078 34.371 25.677 1.00 4.40 C ATOM 853 C SER A 54 12.164 33.629 24.706 1.00 1.23 C ATOM 854 O SER A 54 12.465 33.516 23.519 1.00 70.24 O ATOM 855 CB SER A 54 12.545 35.785 25.917 1.00 5.21 C ATOM 856 OG SER A 54 12.306 36.012 27.295 1.00 52.24 O ATOM 0 H SER A 54 15.127 33.931 25.739 1.00 34.13 H new ATOM 0 HA SER A 54 13.091 33.830 26.623 1.00 4.40 H new ATOM 0 HB2 SER A 54 13.262 36.516 25.544 1.00 5.21 H new ATOM 0 HB3 SER A 54 11.622 35.929 25.356 1.00 5.21 H new ATOM 0 HG SER A 54 11.968 36.923 27.423 1.00 52.24 H new ATOM 862 N GLN A 55 11.048 33.126 25.223 1.00 20.42 N ATOM 863 CA GLN A 55 10.090 32.392 24.403 1.00 40.52 C ATOM 864 C GLN A 55 8.939 33.297 23.973 1.00 62.41 C ATOM 865 O GLN A 55 8.297 33.058 22.949 1.00 33.12 O ATOM 866 CB GLN A 55 9.547 31.186 25.170 1.00 3.12 C ATOM 867 CG GLN A 55 10.605 30.142 25.490 1.00 44.22 C ATOM 868 CD GLN A 55 10.152 29.158 26.550 1.00 73.30 C ATOM 869 OE1 GLN A 55 8.991 28.748 26.577 1.00 43.35 O ATOM 870 NE2 GLN A 55 11.068 28.771 27.429 1.00 15.25 N ATOM 0 H GLN A 55 10.785 33.213 26.205 1.00 20.42 H new ATOM 0 HA GLN A 55 10.607 32.041 23.510 1.00 40.52 H new ATOM 0 HB2 GLN A 55 9.096 31.531 26.100 1.00 3.12 H new ATOM 0 HB3 GLN A 55 8.754 30.720 24.584 1.00 3.12 H new ATOM 0 HG2 GLN A 55 10.860 29.598 24.580 1.00 44.22 H new ATOM 0 HG3 GLN A 55 11.513 30.642 25.828 1.00 44.22 H new ATOM 0 HE21 GLN A 55 12.018 29.136 27.369 1.00 15.25 H new ATOM 0 HE22 GLN A 55 10.821 28.108 28.164 1.00 15.25 H new ATOM 879 N LYS A 56 8.683 34.335 24.760 1.00 52.11 N ATOM 880 CA LYS A 56 7.610 35.276 24.461 1.00 61.34 C ATOM 881 C LYS A 56 8.146 36.494 23.714 1.00 15.41 C ATOM 882 O LYS A 56 7.577 37.582 23.795 1.00 71.24 O ATOM 883 CB LYS A 56 6.918 35.720 25.752 1.00 13.03 C ATOM 884 CG LYS A 56 7.878 36.232 26.812 1.00 24.11 C ATOM 885 CD LYS A 56 7.137 36.850 27.984 1.00 35.23 C ATOM 886 CE LYS A 56 7.894 38.039 28.558 1.00 60.22 C ATOM 887 NZ LYS A 56 7.389 38.418 29.907 1.00 2.43 N ATOM 0 H LYS A 56 9.204 34.547 25.611 1.00 52.11 H new ATOM 0 HA LYS A 56 6.885 34.770 23.823 1.00 61.34 H new ATOM 0 HB2 LYS A 56 6.198 36.504 25.517 1.00 13.03 H new ATOM 0 HB3 LYS A 56 6.354 34.881 26.159 1.00 13.03 H new ATOM 0 HG2 LYS A 56 8.501 35.411 27.167 1.00 24.11 H new ATOM 0 HG3 LYS A 56 8.546 36.972 26.372 1.00 24.11 H new ATOM 0 HD2 LYS A 56 6.146 37.170 27.662 1.00 35.23 H new ATOM 0 HD3 LYS A 56 6.993 36.100 28.761 1.00 35.23 H new ATOM 0 HE2 LYS A 56 8.955 37.798 28.622 1.00 60.22 H new ATOM 0 HE3 LYS A 56 7.801 38.890 27.883 1.00 60.22 H new ATOM 0 HZ1 LYS A 56 7.930 39.231 30.264 1.00 2.43 H new ATOM 0 HZ2 LYS A 56 6.383 38.673 29.842 1.00 2.43 H new ATOM 0 HZ3 LYS A 56 7.501 37.615 30.558 1.00 2.43 H new ATOM 901 N GLU A 57 9.243 36.302 22.989 1.00 61.41 N ATOM 902 CA GLU A 57 9.854 37.385 22.228 1.00 0.31 C ATOM 903 C GLU A 57 10.594 36.843 21.008 1.00 53.42 C ATOM 904 O GLU A 57 11.484 37.499 20.467 1.00 41.54 O ATOM 905 CB GLU A 57 10.820 38.178 23.113 1.00 70.25 C ATOM 906 CG GLU A 57 10.169 38.751 24.361 1.00 5.30 C ATOM 907 CD GLU A 57 11.039 39.787 25.047 1.00 14.34 C ATOM 908 OE1 GLU A 57 11.857 40.428 24.358 1.00 64.35 O ATOM 909 OE2 GLU A 57 10.899 39.956 26.278 1.00 30.31 O ATOM 0 H GLU A 57 9.727 35.407 22.913 1.00 61.41 H new ATOM 0 HA GLU A 57 9.059 38.047 21.885 1.00 0.31 H new ATOM 0 HB2 GLU A 57 11.645 37.530 23.408 1.00 70.25 H new ATOM 0 HB3 GLU A 57 11.248 38.993 22.530 1.00 70.25 H new ATOM 0 HG2 GLU A 57 9.214 39.203 24.094 1.00 5.30 H new ATOM 0 HG3 GLU A 57 9.954 37.942 25.059 1.00 5.30 H new ATOM 916 N TYR A 58 10.219 35.644 20.581 1.00 31.34 N ATOM 917 CA TYR A 58 10.848 35.011 19.427 1.00 14.02 C ATOM 918 C TYR A 58 9.805 34.346 18.535 1.00 13.30 C ATOM 919 O TYR A 58 9.834 33.133 18.325 1.00 52.44 O ATOM 920 CB TYR A 58 11.879 33.978 19.885 1.00 61.04 C ATOM 921 CG TYR A 58 13.082 33.880 18.975 1.00 43.01 C ATOM 922 CD1 TYR A 58 13.799 35.015 18.614 1.00 70.13 C ATOM 923 CD2 TYR A 58 13.502 32.653 18.476 1.00 45.32 C ATOM 924 CE1 TYR A 58 14.899 34.930 17.781 1.00 14.41 C ATOM 925 CE2 TYR A 58 14.603 32.560 17.644 1.00 13.12 C ATOM 926 CZ TYR A 58 15.296 33.701 17.300 1.00 1.32 C ATOM 927 OH TYR A 58 16.392 33.611 16.472 1.00 73.15 O ATOM 0 H TYR A 58 9.482 35.089 21.016 1.00 31.34 H new ATOM 0 HA TYR A 58 11.352 35.785 18.849 1.00 14.02 H new ATOM 0 HB2 TYR A 58 12.214 34.232 20.891 1.00 61.04 H new ATOM 0 HB3 TYR A 58 11.400 33.001 19.946 1.00 61.04 H new ATOM 0 HD1 TYR A 58 13.491 35.979 18.991 1.00 70.13 H new ATOM 0 HD2 TYR A 58 12.960 31.758 18.742 1.00 45.32 H new ATOM 0 HE1 TYR A 58 15.444 35.822 17.509 1.00 14.41 H new ATOM 0 HE2 TYR A 58 14.918 31.599 17.266 1.00 13.12 H new ATOM 0 HH TYR A 58 16.538 32.674 16.223 1.00 73.15 H new ATOM 937 N ASP A 59 8.884 35.148 18.013 1.00 72.24 N ATOM 938 CA ASP A 59 7.832 34.640 17.141 1.00 33.31 C ATOM 939 C ASP A 59 8.414 34.134 15.824 1.00 34.11 C ATOM 940 O ASP A 59 9.630 34.019 15.676 1.00 42.11 O ATOM 941 CB ASP A 59 6.793 35.729 16.870 1.00 64.04 C ATOM 942 CG ASP A 59 6.516 36.583 18.091 1.00 1.34 C ATOM 943 OD1 ASP A 59 7.227 37.590 18.285 1.00 2.21 O ATOM 944 OD2 ASP A 59 5.587 36.243 18.853 1.00 25.12 O ATOM 0 H ASP A 59 8.845 36.154 18.179 1.00 72.24 H new ATOM 0 HA ASP A 59 7.347 33.805 17.647 1.00 33.31 H new ATOM 0 HB2 ASP A 59 7.142 36.366 16.057 1.00 64.04 H new ATOM 0 HB3 ASP A 59 5.864 35.266 16.536 1.00 64.04 H new ATOM 949 N SER A 60 7.536 33.832 14.872 1.00 1.33 N ATOM 950 CA SER A 60 7.962 33.335 13.570 1.00 1.14 C ATOM 951 C SER A 60 8.136 34.483 12.580 1.00 30.33 C ATOM 952 O SER A 60 8.866 34.363 11.597 1.00 43.04 O ATOM 953 CB SER A 60 6.946 32.328 13.028 1.00 24.13 C ATOM 954 OG SER A 60 7.543 31.058 12.827 1.00 12.21 O ATOM 0 H SER A 60 6.526 33.923 14.979 1.00 1.33 H new ATOM 0 HA SER A 60 8.924 32.838 13.695 1.00 1.14 H new ATOM 0 HB2 SER A 60 6.113 32.236 13.725 1.00 24.13 H new ATOM 0 HB3 SER A 60 6.534 32.693 12.087 1.00 24.13 H new ATOM 0 HG SER A 60 6.872 30.432 12.482 1.00 12.21 H new ATOM 960 N SER A 61 7.459 35.594 12.848 1.00 64.34 N ATOM 961 CA SER A 61 7.534 36.763 11.980 1.00 64.33 C ATOM 962 C SER A 61 8.976 37.240 11.833 1.00 10.23 C ATOM 963 O SER A 61 9.347 37.831 10.819 1.00 14.42 O ATOM 964 CB SER A 61 6.665 37.894 12.533 1.00 32.45 C ATOM 965 OG SER A 61 6.439 37.729 13.922 1.00 11.43 O ATOM 0 H SER A 61 6.852 35.710 13.660 1.00 64.34 H new ATOM 0 HA SER A 61 7.162 36.477 10.996 1.00 64.33 H new ATOM 0 HB2 SER A 61 7.151 38.853 12.352 1.00 32.45 H new ATOM 0 HB3 SER A 61 5.711 37.915 12.006 1.00 32.45 H new ATOM 0 HG SER A 61 5.883 38.465 14.253 1.00 11.43 H new ATOM 971 N LEU A 62 9.784 36.978 12.855 1.00 23.04 N ATOM 972 CA LEU A 62 11.187 37.379 12.842 1.00 52.44 C ATOM 973 C LEU A 62 12.075 36.241 12.350 1.00 13.52 C ATOM 974 O LEU A 62 13.195 36.468 11.893 1.00 31.12 O ATOM 975 CB LEU A 62 11.625 37.816 14.242 1.00 43.22 C ATOM 976 CG LEU A 62 11.960 36.691 15.221 1.00 73.11 C ATOM 977 CD1 LEU A 62 13.446 36.688 15.543 1.00 2.30 C ATOM 978 CD2 LEU A 62 11.137 36.829 16.494 1.00 72.13 C ATOM 0 H LEU A 62 9.492 36.490 13.702 1.00 23.04 H new ATOM 0 HA LEU A 62 11.293 38.219 12.156 1.00 52.44 H new ATOM 0 HB2 LEU A 62 12.501 38.458 14.143 1.00 43.22 H new ATOM 0 HB3 LEU A 62 10.831 38.424 14.676 1.00 43.22 H new ATOM 0 HG LEU A 62 11.709 35.740 14.751 1.00 73.11 H new ATOM 0 HD11 LEU A 62 13.665 35.880 16.241 1.00 2.30 H new ATOM 0 HD12 LEU A 62 14.017 36.540 14.626 1.00 2.30 H new ATOM 0 HD13 LEU A 62 13.723 37.642 15.993 1.00 2.30 H new ATOM 0 HD21 LEU A 62 11.389 36.020 17.179 1.00 72.13 H new ATOM 0 HD22 LEU A 62 11.356 37.786 16.967 1.00 72.13 H new ATOM 0 HD23 LEU A 62 10.076 36.780 16.249 1.00 72.13 H new ATOM 990 N ALA A 63 11.566 35.017 12.447 1.00 42.34 N ATOM 991 CA ALA A 63 12.311 33.844 12.008 1.00 3.34 C ATOM 992 C ALA A 63 12.256 33.693 10.492 1.00 50.00 C ATOM 993 O ALA A 63 11.178 33.696 9.895 1.00 32.34 O ATOM 994 CB ALA A 63 11.772 32.592 12.684 1.00 31.13 C ATOM 0 H ALA A 63 10.641 34.812 12.826 1.00 42.34 H new ATOM 0 HA ALA A 63 13.354 33.979 12.296 1.00 3.34 H new ATOM 0 HB1 ALA A 63 12.338 31.724 12.346 1.00 31.13 H new ATOM 0 HB2 ALA A 63 11.870 32.691 13.765 1.00 31.13 H new ATOM 0 HB3 ALA A 63 10.721 32.463 12.425 1.00 31.13 H new ATOM 1000 N THR A 64 13.425 33.564 9.871 1.00 64.23 N ATOM 1001 CA THR A 64 13.509 33.415 8.424 1.00 5.22 C ATOM 1002 C THR A 64 14.086 32.057 8.043 1.00 31.34 C ATOM 1003 O THR A 64 15.297 31.911 7.870 1.00 12.33 O ATOM 1004 CB THR A 64 14.376 34.523 7.794 1.00 33.23 C ATOM 1005 OG1 THR A 64 14.436 35.654 8.670 1.00 4.55 O ATOM 1006 CG2 THR A 64 13.815 34.948 6.446 1.00 13.20 C ATOM 0 H THR A 64 14.326 33.560 10.348 1.00 64.23 H new ATOM 0 HA THR A 64 12.492 33.496 8.039 1.00 5.22 H new ATOM 0 HB THR A 64 15.380 34.127 7.643 1.00 33.23 H new ATOM 0 HG1 THR A 64 14.990 36.353 8.264 1.00 4.55 H new ATOM 0 HG21 THR A 64 14.443 35.731 6.021 1.00 13.20 H new ATOM 0 HG22 THR A 64 13.797 34.091 5.773 1.00 13.20 H new ATOM 0 HG23 THR A 64 12.802 35.327 6.577 1.00 13.20 H new ATOM 1014 N LEU A 65 13.214 31.064 7.915 1.00 33.40 N ATOM 1015 CA LEU A 65 13.636 29.715 7.554 1.00 21.21 C ATOM 1016 C LEU A 65 12.481 28.925 6.948 1.00 41.15 C ATOM 1017 O LEU A 65 11.500 28.621 7.627 1.00 63.51 O ATOM 1018 CB LEU A 65 14.179 28.983 8.783 1.00 50.11 C ATOM 1019 CG LEU A 65 15.672 29.159 9.064 1.00 13.32 C ATOM 1020 CD1 LEU A 65 16.092 28.319 10.261 1.00 64.45 C ATOM 1021 CD2 LEU A 65 16.493 28.793 7.837 1.00 75.25 C ATOM 0 H LEU A 65 12.209 31.167 8.056 1.00 33.40 H new ATOM 0 HA LEU A 65 14.426 29.797 6.808 1.00 21.21 H new ATOM 0 HB2 LEU A 65 13.623 29.321 9.657 1.00 50.11 H new ATOM 0 HB3 LEU A 65 13.975 27.919 8.667 1.00 50.11 H new ATOM 0 HG LEU A 65 15.857 30.207 9.299 1.00 13.32 H new ATOM 0 HD11 LEU A 65 17.157 28.457 10.446 1.00 64.45 H new ATOM 0 HD12 LEU A 65 15.528 28.630 11.140 1.00 64.45 H new ATOM 0 HD13 LEU A 65 15.892 27.267 10.055 1.00 64.45 H new ATOM 0 HD21 LEU A 65 17.553 28.924 8.056 1.00 75.25 H new ATOM 0 HD22 LEU A 65 16.304 27.753 7.570 1.00 75.25 H new ATOM 0 HD23 LEU A 65 16.212 29.439 7.005 1.00 75.25 H new ATOM 1033 N ASP A 66 12.603 28.596 5.666 1.00 2.53 N ATOM 1034 CA ASP A 66 11.571 27.839 4.969 1.00 1.41 C ATOM 1035 C ASP A 66 11.935 26.359 4.901 1.00 71.12 C ATOM 1036 O ASP A 66 12.760 25.949 4.083 1.00 4.31 O ATOM 1037 CB ASP A 66 11.368 28.393 3.557 1.00 3.14 C ATOM 1038 CG ASP A 66 10.628 29.716 3.556 1.00 44.11 C ATOM 1039 OD1 ASP A 66 9.986 30.037 4.576 1.00 54.51 O ATOM 1040 OD2 ASP A 66 10.691 30.430 2.533 1.00 20.02 O ATOM 0 H ASP A 66 13.407 28.842 5.089 1.00 2.53 H new ATOM 0 HA ASP A 66 10.641 27.940 5.528 1.00 1.41 H new ATOM 0 HB2 ASP A 66 12.338 28.522 3.077 1.00 3.14 H new ATOM 0 HB3 ASP A 66 10.812 27.668 2.962 1.00 3.14 H new ATOM 1045 N HIS A 67 11.315 25.562 5.764 1.00 54.20 N ATOM 1046 CA HIS A 67 11.574 24.127 5.803 1.00 71.03 C ATOM 1047 C HIS A 67 10.375 23.345 5.272 1.00 3.05 C ATOM 1048 O HIS A 67 9.230 23.772 5.414 1.00 70.21 O ATOM 1049 CB HIS A 67 11.896 23.683 7.229 1.00 10.12 C ATOM 1050 CG HIS A 67 13.128 24.323 7.792 1.00 42.23 C ATOM 1051 ND1 HIS A 67 13.418 24.343 9.140 1.00 22.53 N ATOM 1052 CD2 HIS A 67 14.149 24.969 7.180 1.00 21.10 C ATOM 1053 CE1 HIS A 67 14.564 24.973 9.333 1.00 70.34 C ATOM 1054 NE2 HIS A 67 15.027 25.362 8.159 1.00 41.04 N ATOM 0 H HIS A 67 10.629 25.885 6.446 1.00 54.20 H new ATOM 0 HA HIS A 67 12.433 23.920 5.165 1.00 71.03 H new ATOM 0 HB2 HIS A 67 11.048 23.916 7.873 1.00 10.12 H new ATOM 0 HB3 HIS A 67 12.020 22.600 7.244 1.00 10.12 H new ATOM 0 HD1 HIS A 67 12.839 23.935 9.874 1.00 22.53 H new ATOM 0 HD2 HIS A 67 14.253 25.143 6.119 1.00 21.10 H new ATOM 0 HE1 HIS A 67 15.040 25.141 10.288 1.00 70.34 H new ATOM 1062 N THR A 68 10.649 22.196 4.661 1.00 2.02 N ATOM 1063 CA THR A 68 9.595 21.355 4.108 1.00 33.33 C ATOM 1064 C THR A 68 9.212 20.244 5.079 1.00 21.42 C ATOM 1065 O THR A 68 9.977 19.302 5.290 1.00 74.04 O ATOM 1066 CB THR A 68 10.021 20.727 2.768 1.00 2.54 C ATOM 1067 OG1 THR A 68 10.140 21.743 1.767 1.00 25.20 O ATOM 1068 CG2 THR A 68 9.016 19.678 2.317 1.00 42.33 C ATOM 0 H THR A 68 11.592 21.827 4.537 1.00 2.02 H new ATOM 0 HA THR A 68 8.732 22.000 3.939 1.00 33.33 H new ATOM 0 HB THR A 68 10.987 20.243 2.910 1.00 2.54 H new ATOM 0 HG1 THR A 68 10.806 22.404 2.049 1.00 25.20 H new ATOM 0 HG21 THR A 68 9.339 19.249 1.368 1.00 42.33 H new ATOM 0 HG22 THR A 68 8.950 18.891 3.068 1.00 42.33 H new ATOM 0 HG23 THR A 68 8.038 20.142 2.191 1.00 42.33 H new ATOM 1076 N GLU A 69 8.025 20.358 5.665 1.00 52.41 N ATOM 1077 CA GLU A 69 7.542 19.362 6.614 1.00 10.12 C ATOM 1078 C GLU A 69 7.028 18.123 5.887 1.00 74.13 C ATOM 1079 O GLU A 69 6.004 18.172 5.203 1.00 13.44 O ATOM 1080 CB GLU A 69 6.432 19.952 7.487 1.00 4.24 C ATOM 1081 CG GLU A 69 6.734 21.354 7.989 1.00 62.23 C ATOM 1082 CD GLU A 69 5.581 21.955 8.769 1.00 62.40 C ATOM 1083 OE1 GLU A 69 5.229 21.399 9.830 1.00 51.02 O ATOM 1084 OE2 GLU A 69 5.030 22.981 8.317 1.00 31.33 O ATOM 0 H GLU A 69 7.380 21.130 5.499 1.00 52.41 H new ATOM 0 HA GLU A 69 8.377 19.069 7.250 1.00 10.12 H new ATOM 0 HB2 GLU A 69 5.504 19.972 6.916 1.00 4.24 H new ATOM 0 HB3 GLU A 69 6.267 19.297 8.342 1.00 4.24 H new ATOM 0 HG2 GLU A 69 7.621 21.326 8.622 1.00 62.23 H new ATOM 0 HG3 GLU A 69 6.968 21.997 7.141 1.00 62.23 H new ATOM 1091 N ILE A 70 7.745 17.014 6.038 1.00 55.25 N ATOM 1092 CA ILE A 70 7.361 15.764 5.397 1.00 64.35 C ATOM 1093 C ILE A 70 6.156 15.137 6.090 1.00 11.22 C ATOM 1094 O ILE A 70 6.304 14.355 7.029 1.00 73.20 O ATOM 1095 CB ILE A 70 8.522 14.752 5.396 1.00 72.14 C ATOM 1096 CG1 ILE A 70 9.656 15.244 4.495 1.00 45.21 C ATOM 1097 CG2 ILE A 70 8.033 13.384 4.942 1.00 43.32 C ATOM 1098 CD1 ILE A 70 10.664 16.113 5.212 1.00 4.33 C ATOM 0 H ILE A 70 8.595 16.957 6.599 1.00 55.25 H new ATOM 0 HA ILE A 70 7.099 16.006 4.367 1.00 64.35 H new ATOM 0 HB ILE A 70 8.905 14.660 6.413 1.00 72.14 H new ATOM 0 HG12 ILE A 70 10.170 14.383 4.068 1.00 45.21 H new ATOM 0 HG13 ILE A 70 9.231 15.806 3.663 1.00 45.21 H new ATOM 0 HG21 ILE A 70 8.865 12.680 4.947 1.00 43.32 H new ATOM 0 HG22 ILE A 70 7.256 13.032 5.620 1.00 43.32 H new ATOM 0 HG23 ILE A 70 7.627 13.459 3.933 1.00 43.32 H new ATOM 0 HD11 ILE A 70 11.439 16.425 4.512 1.00 4.33 H new ATOM 0 HD12 ILE A 70 10.164 16.993 5.616 1.00 4.33 H new ATOM 0 HD13 ILE A 70 11.117 15.548 6.027 1.00 4.33 H new ATOM 1110 N LYS A 71 4.963 15.485 5.620 1.00 15.01 N ATOM 1111 CA LYS A 71 3.731 14.956 6.193 1.00 61.11 C ATOM 1112 C LYS A 71 3.252 13.733 5.416 1.00 32.01 C ATOM 1113 O LYS A 71 3.312 13.704 4.188 1.00 74.31 O ATOM 1114 CB LYS A 71 2.642 16.031 6.195 1.00 62.15 C ATOM 1115 CG LYS A 71 1.846 16.093 4.902 1.00 62.23 C ATOM 1116 CD LYS A 71 2.709 16.548 3.737 1.00 23.25 C ATOM 1117 CE LYS A 71 3.244 17.955 3.956 1.00 30.30 C ATOM 1118 NZ LYS A 71 2.158 18.972 3.921 1.00 53.33 N ATOM 0 H LYS A 71 4.823 16.131 4.843 1.00 15.01 H new ATOM 0 HA LYS A 71 3.937 14.655 7.220 1.00 61.11 H new ATOM 0 HB2 LYS A 71 1.959 15.843 7.024 1.00 62.15 H new ATOM 0 HB3 LYS A 71 3.102 17.002 6.375 1.00 62.15 H new ATOM 0 HG2 LYS A 71 1.427 15.110 4.684 1.00 62.23 H new ATOM 0 HG3 LYS A 71 1.006 16.777 5.023 1.00 62.23 H new ATOM 0 HD2 LYS A 71 3.542 15.857 3.608 1.00 23.25 H new ATOM 0 HD3 LYS A 71 2.125 16.519 2.817 1.00 23.25 H new ATOM 0 HE2 LYS A 71 3.756 18.003 4.917 1.00 30.30 H new ATOM 0 HE3 LYS A 71 3.983 18.186 3.189 1.00 30.30 H new ATOM 0 HZ1 LYS A 71 2.575 19.925 3.921 1.00 53.33 H new ATOM 0 HZ2 LYS A 71 1.589 18.843 3.060 1.00 53.33 H new ATOM 0 HZ3 LYS A 71 1.550 18.860 4.758 1.00 53.33 H new ATOM 1132 N ALA A 72 2.775 12.726 6.141 1.00 12.41 N ATOM 1133 CA ALA A 72 2.282 11.503 5.520 1.00 45.42 C ATOM 1134 C ALA A 72 1.075 11.786 4.633 1.00 3.40 C ATOM 1135 O ALA A 72 0.284 12.694 4.891 1.00 24.10 O ATOM 1136 CB ALA A 72 1.929 10.476 6.585 1.00 55.25 C ATOM 0 H ALA A 72 2.720 12.734 7.159 1.00 12.41 H new ATOM 0 HA ALA A 72 3.075 11.099 4.891 1.00 45.42 H new ATOM 0 HB1 ALA A 72 1.562 9.568 6.107 1.00 55.25 H new ATOM 0 HB2 ALA A 72 2.816 10.243 7.174 1.00 55.25 H new ATOM 0 HB3 ALA A 72 1.155 10.880 7.238 1.00 55.25 H new ATOM 1142 N PRO A 73 0.929 10.993 3.562 1.00 63.25 N ATOM 1143 CA PRO A 73 -0.180 11.139 2.614 1.00 75.03 C ATOM 1144 C PRO A 73 -1.518 10.732 3.220 1.00 73.42 C ATOM 1145 O PRO A 73 -2.507 11.458 3.112 1.00 70.42 O ATOM 1146 CB PRO A 73 0.200 10.192 1.474 1.00 65.24 C ATOM 1147 CG PRO A 73 1.083 9.172 2.106 1.00 3.30 C ATOM 1148 CD PRO A 73 1.834 9.892 3.193 1.00 62.44 C ATOM 0 HA PRO A 73 -0.313 12.174 2.300 1.00 75.03 H new ATOM 0 HB2 PRO A 73 -0.683 9.731 1.031 1.00 65.24 H new ATOM 0 HB3 PRO A 73 0.717 10.723 0.675 1.00 65.24 H new ATOM 0 HG2 PRO A 73 0.498 8.349 2.515 1.00 3.30 H new ATOM 0 HG3 PRO A 73 1.769 8.743 1.376 1.00 3.30 H new ATOM 0 HD2 PRO A 73 2.038 9.238 4.041 1.00 62.44 H new ATOM 0 HD3 PRO A 73 2.795 10.264 2.839 1.00 62.44 H new ATOM 1156 N PHE A 74 -1.543 9.567 3.860 1.00 42.53 N ATOM 1157 CA PHE A 74 -2.761 9.063 4.484 1.00 51.11 C ATOM 1158 C PHE A 74 -2.431 8.155 5.665 1.00 64.12 C ATOM 1159 O PHE A 74 -1.343 7.584 5.738 1.00 41.20 O ATOM 1160 CB PHE A 74 -3.606 8.302 3.461 1.00 63.34 C ATOM 1161 CG PHE A 74 -2.815 7.326 2.637 1.00 12.22 C ATOM 1162 CD1 PHE A 74 -2.625 6.025 3.075 1.00 44.32 C ATOM 1163 CD2 PHE A 74 -2.262 7.710 1.426 1.00 34.33 C ATOM 1164 CE1 PHE A 74 -1.897 5.124 2.320 1.00 41.01 C ATOM 1165 CE2 PHE A 74 -1.535 6.812 0.666 1.00 53.31 C ATOM 1166 CZ PHE A 74 -1.351 5.519 1.114 1.00 55.03 C ATOM 0 H PHE A 74 -0.734 8.954 3.960 1.00 42.53 H new ATOM 0 HA PHE A 74 -3.331 9.916 4.852 1.00 51.11 H new ATOM 0 HB2 PHE A 74 -4.399 7.766 3.983 1.00 63.34 H new ATOM 0 HB3 PHE A 74 -4.090 9.018 2.797 1.00 63.34 H new ATOM 0 HD1 PHE A 74 -3.050 5.711 4.017 1.00 44.32 H new ATOM 0 HD2 PHE A 74 -2.400 8.721 1.072 1.00 34.33 H new ATOM 0 HE1 PHE A 74 -1.755 4.113 2.673 1.00 41.01 H new ATOM 0 HE2 PHE A 74 -1.111 7.122 -0.278 1.00 53.31 H new ATOM 0 HZ PHE A 74 -0.781 4.818 0.523 1.00 55.03 H new ATOM 1176 N ASP A 75 -3.379 8.026 6.587 1.00 64.34 N ATOM 1177 CA ASP A 75 -3.191 7.187 7.764 1.00 2.25 C ATOM 1178 C ASP A 75 -2.805 5.766 7.364 1.00 62.24 C ATOM 1179 O ASP A 75 -3.149 5.303 6.278 1.00 64.11 O ATOM 1180 CB ASP A 75 -4.465 7.164 8.610 1.00 62.04 C ATOM 1181 CG ASP A 75 -5.607 6.446 7.917 1.00 24.13 C ATOM 1182 OD1 ASP A 75 -5.588 6.366 6.670 1.00 55.52 O ATOM 1183 OD2 ASP A 75 -6.517 5.962 8.621 1.00 50.54 O ATOM 0 H ASP A 75 -4.285 8.492 6.542 1.00 64.34 H new ATOM 0 HA ASP A 75 -2.380 7.611 8.355 1.00 2.25 H new ATOM 0 HB2 ASP A 75 -4.257 6.676 9.562 1.00 62.04 H new ATOM 0 HB3 ASP A 75 -4.766 8.187 8.836 1.00 62.04 H new ATOM 1188 N GLY A 76 -2.090 5.080 8.249 1.00 10.43 N ATOM 1189 CA GLY A 76 -1.668 3.720 7.969 1.00 71.24 C ATOM 1190 C GLY A 76 -0.471 3.301 8.799 1.00 20.12 C ATOM 1191 O GLY A 76 -0.248 3.827 9.891 1.00 24.12 O ATOM 0 H GLY A 76 -1.795 5.442 9.156 1.00 10.43 H new ATOM 0 HA2 GLY A 76 -2.497 3.039 8.163 1.00 71.24 H new ATOM 0 HA3 GLY A 76 -1.422 3.630 6.911 1.00 71.24 H new ATOM 1195 N THR A 77 0.301 2.350 8.284 1.00 23.10 N ATOM 1196 CA THR A 77 1.480 1.858 8.985 1.00 11.15 C ATOM 1197 C THR A 77 2.756 2.456 8.403 1.00 22.12 C ATOM 1198 O THR A 77 2.844 2.703 7.201 1.00 60.24 O ATOM 1199 CB THR A 77 1.571 0.322 8.923 1.00 72.41 C ATOM 1200 OG1 THR A 77 0.394 -0.262 9.491 1.00 71.31 O ATOM 1201 CG2 THR A 77 2.801 -0.178 9.665 1.00 45.12 C ATOM 0 H THR A 77 0.131 1.904 7.382 1.00 23.10 H new ATOM 0 HA THR A 77 1.380 2.166 10.026 1.00 11.15 H new ATOM 0 HB THR A 77 1.653 0.027 7.877 1.00 72.41 H new ATOM 0 HG1 THR A 77 0.459 -1.239 9.446 1.00 71.31 H new ATOM 0 HG21 THR A 77 2.844 -1.266 9.607 1.00 45.12 H new ATOM 0 HG22 THR A 77 3.697 0.245 9.211 1.00 45.12 H new ATOM 0 HG23 THR A 77 2.745 0.128 10.710 1.00 45.12 H new ATOM 1209 N ILE A 78 3.742 2.685 9.263 1.00 21.20 N ATOM 1210 CA ILE A 78 5.014 3.252 8.833 1.00 23.51 C ATOM 1211 C ILE A 78 6.166 2.292 9.110 1.00 21.10 C ATOM 1212 O ILE A 78 6.196 1.623 10.142 1.00 1.43 O ATOM 1213 CB ILE A 78 5.298 4.593 9.534 1.00 2.24 C ATOM 1214 CG1 ILE A 78 6.414 5.347 8.807 1.00 74.32 C ATOM 1215 CG2 ILE A 78 5.671 4.361 10.990 1.00 22.23 C ATOM 1216 CD1 ILE A 78 6.267 6.851 8.870 1.00 52.23 C ATOM 0 H ILE A 78 3.685 2.487 10.262 1.00 21.20 H new ATOM 0 HA ILE A 78 4.937 3.422 7.759 1.00 23.51 H new ATOM 0 HB ILE A 78 4.394 5.201 9.503 1.00 2.24 H new ATOM 0 HG12 ILE A 78 7.374 5.065 9.240 1.00 74.32 H new ATOM 0 HG13 ILE A 78 6.432 5.035 7.763 1.00 74.32 H new ATOM 0 HG21 ILE A 78 5.869 5.318 11.472 1.00 22.23 H new ATOM 0 HG22 ILE A 78 4.848 3.861 11.501 1.00 22.23 H new ATOM 0 HG23 ILE A 78 6.563 3.737 11.042 1.00 22.23 H new ATOM 0 HD11 ILE A 78 7.092 7.320 8.334 1.00 52.23 H new ATOM 0 HD12 ILE A 78 5.323 7.144 8.411 1.00 52.23 H new ATOM 0 HD13 ILE A 78 6.280 7.175 9.911 1.00 52.23 H new ATOM 1228 N GLY A 79 7.115 2.230 8.181 1.00 0.23 N ATOM 1229 CA GLY A 79 8.258 1.350 8.345 1.00 11.10 C ATOM 1230 C GLY A 79 9.296 1.919 9.292 1.00 61.24 C ATOM 1231 O GLY A 79 9.003 2.821 10.076 1.00 54.10 O ATOM 0 H GLY A 79 7.113 2.773 7.318 1.00 0.23 H new ATOM 0 HA2 GLY A 79 7.919 0.385 8.720 1.00 11.10 H new ATOM 0 HA3 GLY A 79 8.717 1.171 7.373 1.00 11.10 H new ATOM 1235 N ASP A 80 10.512 1.390 9.219 1.00 41.32 N ATOM 1236 CA ASP A 80 11.598 1.850 10.077 1.00 50.41 C ATOM 1237 C ASP A 80 12.474 2.865 9.349 1.00 53.35 C ATOM 1238 O ASP A 80 12.714 2.744 8.147 1.00 12.25 O ATOM 1239 CB ASP A 80 12.448 0.666 10.540 1.00 20.44 C ATOM 1240 CG ASP A 80 13.693 1.103 11.286 1.00 30.04 C ATOM 1241 OD1 ASP A 80 14.686 1.468 10.622 1.00 22.24 O ATOM 1242 OD2 ASP A 80 13.675 1.081 12.535 1.00 23.22 O ATOM 0 H ASP A 80 10.771 0.643 8.575 1.00 41.32 H new ATOM 0 HA ASP A 80 11.158 2.335 10.948 1.00 50.41 H new ATOM 0 HB2 ASP A 80 11.849 0.023 11.185 1.00 20.44 H new ATOM 0 HB3 ASP A 80 12.737 0.070 9.675 1.00 20.44 H new ATOM 1247 N ALA A 81 12.946 3.867 10.084 1.00 60.44 N ATOM 1248 CA ALA A 81 13.795 4.902 9.508 1.00 70.45 C ATOM 1249 C ALA A 81 15.011 4.295 8.817 1.00 23.13 C ATOM 1250 O ALA A 81 15.758 3.523 9.419 1.00 20.03 O ATOM 1251 CB ALA A 81 14.233 5.885 10.584 1.00 34.31 C ATOM 0 H ALA A 81 12.755 3.984 11.079 1.00 60.44 H new ATOM 0 HA ALA A 81 13.213 5.437 8.757 1.00 70.45 H new ATOM 0 HB1 ALA A 81 14.867 6.653 10.139 1.00 34.31 H new ATOM 0 HB2 ALA A 81 13.355 6.352 11.029 1.00 34.31 H new ATOM 0 HB3 ALA A 81 14.792 5.355 11.355 1.00 34.31 H new ATOM 1257 N LEU A 82 15.204 4.646 7.550 1.00 33.53 N ATOM 1258 CA LEU A 82 16.329 4.133 6.777 1.00 44.41 C ATOM 1259 C LEU A 82 17.574 4.986 6.998 1.00 3.44 C ATOM 1260 O LEU A 82 18.675 4.464 7.173 1.00 63.40 O ATOM 1261 CB LEU A 82 15.978 4.100 5.289 1.00 74.20 C ATOM 1262 CG LEU A 82 15.172 2.890 4.817 1.00 60.22 C ATOM 1263 CD1 LEU A 82 14.669 3.103 3.397 1.00 53.41 C ATOM 1264 CD2 LEU A 82 16.011 1.623 4.902 1.00 51.12 C ATOM 0 H LEU A 82 14.596 5.284 7.037 1.00 33.53 H new ATOM 0 HA LEU A 82 16.540 3.119 7.117 1.00 44.41 H new ATOM 0 HB2 LEU A 82 15.416 5.002 5.049 1.00 74.20 H new ATOM 0 HB3 LEU A 82 16.905 4.140 4.717 1.00 74.20 H new ATOM 0 HG LEU A 82 14.309 2.776 5.473 1.00 60.22 H new ATOM 0 HD11 LEU A 82 14.098 2.231 3.079 1.00 53.41 H new ATOM 0 HD12 LEU A 82 14.031 3.986 3.366 1.00 53.41 H new ATOM 0 HD13 LEU A 82 15.518 3.245 2.728 1.00 53.41 H new ATOM 0 HD21 LEU A 82 15.421 0.772 4.562 1.00 51.12 H new ATOM 0 HD22 LEU A 82 16.893 1.728 4.271 1.00 51.12 H new ATOM 0 HD23 LEU A 82 16.321 1.460 5.934 1.00 51.12 H new ATOM 1276 N VAL A 83 17.392 6.303 6.993 1.00 64.14 N ATOM 1277 CA VAL A 83 18.500 7.229 7.195 1.00 1.43 C ATOM 1278 C VAL A 83 18.365 7.964 8.524 1.00 50.23 C ATOM 1279 O VAL A 83 17.453 7.694 9.305 1.00 63.25 O ATOM 1280 CB VAL A 83 18.585 8.261 6.056 1.00 41.33 C ATOM 1281 CG1 VAL A 83 18.800 7.566 4.720 1.00 50.23 C ATOM 1282 CG2 VAL A 83 17.330 9.122 6.023 1.00 5.14 C ATOM 0 H VAL A 83 16.487 6.753 6.851 1.00 64.14 H new ATOM 0 HA VAL A 83 19.413 6.634 7.203 1.00 1.43 H new ATOM 0 HB VAL A 83 19.440 8.911 6.241 1.00 41.33 H new ATOM 0 HG11 VAL A 83 18.858 8.312 3.927 1.00 50.23 H new ATOM 0 HG12 VAL A 83 19.729 6.997 4.751 1.00 50.23 H new ATOM 0 HG13 VAL A 83 17.967 6.891 4.523 1.00 50.23 H new ATOM 0 HG21 VAL A 83 17.407 9.846 5.212 1.00 5.14 H new ATOM 0 HG22 VAL A 83 16.458 8.488 5.862 1.00 5.14 H new ATOM 0 HG23 VAL A 83 17.225 9.649 6.971 1.00 5.14 H new ATOM 1292 N ASN A 84 19.278 8.896 8.774 1.00 3.53 N ATOM 1293 CA ASN A 84 19.262 9.672 10.009 1.00 55.22 C ATOM 1294 C ASN A 84 19.171 11.166 9.712 1.00 23.12 C ATOM 1295 O ASN A 84 18.915 11.569 8.577 1.00 44.33 O ATOM 1296 CB ASN A 84 20.515 9.380 10.836 1.00 51.00 C ATOM 1297 CG ASN A 84 20.732 7.895 11.054 1.00 64.13 C ATOM 1298 OD1 ASN A 84 20.050 7.269 11.866 1.00 44.52 O ATOM 1299 ND2 ASN A 84 21.685 7.324 10.325 1.00 31.02 N ATOM 0 H ASN A 84 20.039 9.133 8.138 1.00 3.53 H new ATOM 0 HA ASN A 84 18.382 9.379 10.581 1.00 55.22 H new ATOM 0 HB2 ASN A 84 21.385 9.801 10.333 1.00 51.00 H new ATOM 0 HB3 ASN A 84 20.433 9.878 11.802 1.00 51.00 H new ATOM 0 HD21 ASN A 84 21.876 6.327 10.426 1.00 31.02 H new ATOM 0 HD22 ASN A 84 22.225 7.882 9.664 1.00 31.02 H new ATOM 1306 N ILE A 85 19.384 11.982 10.739 1.00 74.23 N ATOM 1307 CA ILE A 85 19.328 13.430 10.587 1.00 53.43 C ATOM 1308 C ILE A 85 20.598 13.964 9.935 1.00 24.31 C ATOM 1309 O ILE A 85 21.647 13.321 9.976 1.00 73.04 O ATOM 1310 CB ILE A 85 19.127 14.131 11.944 1.00 22.24 C ATOM 1311 CG1 ILE A 85 18.067 13.399 12.769 1.00 15.42 C ATOM 1312 CG2 ILE A 85 18.733 15.585 11.736 1.00 12.52 C ATOM 1313 CD1 ILE A 85 16.710 13.350 12.103 1.00 52.35 C ATOM 0 H ILE A 85 19.597 11.665 11.685 1.00 74.23 H new ATOM 0 HA ILE A 85 18.474 13.647 9.945 1.00 53.43 H new ATOM 0 HB ILE A 85 20.069 14.105 12.492 1.00 22.24 H new ATOM 0 HG12 ILE A 85 18.406 12.381 12.960 1.00 15.42 H new ATOM 0 HG13 ILE A 85 17.970 13.889 13.738 1.00 15.42 H new ATOM 0 HG21 ILE A 85 18.595 16.067 12.704 1.00 12.52 H new ATOM 0 HG22 ILE A 85 19.519 16.100 11.184 1.00 12.52 H new ATOM 0 HG23 ILE A 85 17.802 15.632 11.171 1.00 12.52 H new ATOM 0 HD11 ILE A 85 16.009 12.816 12.745 1.00 52.35 H new ATOM 0 HD12 ILE A 85 16.349 14.365 11.937 1.00 52.35 H new ATOM 0 HD13 ILE A 85 16.792 12.833 11.147 1.00 52.35 H new ATOM 1325 N GLY A 86 20.498 15.146 9.335 1.00 44.14 N ATOM 1326 CA GLY A 86 21.647 15.748 8.683 1.00 52.32 C ATOM 1327 C GLY A 86 22.070 14.992 7.441 1.00 62.12 C ATOM 1328 O GLY A 86 23.174 15.188 6.932 1.00 41.30 O ATOM 0 H GLY A 86 19.641 15.698 9.289 1.00 44.14 H new ATOM 0 HA2 GLY A 86 21.411 16.778 8.415 1.00 52.32 H new ATOM 0 HA3 GLY A 86 22.481 15.785 9.384 1.00 52.32 H new ATOM 1332 N ASP A 87 21.193 14.123 6.950 1.00 22.03 N ATOM 1333 CA ASP A 87 21.482 13.333 5.759 1.00 11.32 C ATOM 1334 C ASP A 87 20.946 14.021 4.507 1.00 11.35 C ATOM 1335 O ASP A 87 19.751 14.295 4.401 1.00 14.20 O ATOM 1336 CB ASP A 87 20.874 11.935 5.888 1.00 42.12 C ATOM 1337 CG ASP A 87 21.925 10.843 5.866 1.00 31.03 C ATOM 1338 OD1 ASP A 87 22.913 10.955 6.622 1.00 72.45 O ATOM 1339 OD2 ASP A 87 21.760 9.876 5.092 1.00 51.31 O ATOM 0 H ASP A 87 20.275 13.948 7.359 1.00 22.03 H new ATOM 0 HA ASP A 87 22.564 13.243 5.667 1.00 11.32 H new ATOM 0 HB2 ASP A 87 20.308 11.872 6.818 1.00 42.12 H new ATOM 0 HB3 ASP A 87 20.168 11.772 5.074 1.00 42.12 H new ATOM 1344 N TYR A 88 21.839 14.300 3.564 1.00 63.12 N ATOM 1345 CA TYR A 88 21.457 14.960 2.321 1.00 24.53 C ATOM 1346 C TYR A 88 20.431 14.128 1.556 1.00 52.51 C ATOM 1347 O TYR A 88 20.635 12.938 1.314 1.00 51.24 O ATOM 1348 CB TYR A 88 22.689 15.199 1.447 1.00 43.32 C ATOM 1349 CG TYR A 88 22.385 15.932 0.160 1.00 31.52 C ATOM 1350 CD1 TYR A 88 22.342 17.320 0.120 1.00 34.41 C ATOM 1351 CD2 TYR A 88 22.139 15.235 -1.018 1.00 3.31 C ATOM 1352 CE1 TYR A 88 22.063 17.992 -1.055 1.00 14.52 C ATOM 1353 CE2 TYR A 88 21.862 15.900 -2.196 1.00 71.12 C ATOM 1354 CZ TYR A 88 21.824 17.278 -2.209 1.00 51.32 C ATOM 1355 OH TYR A 88 21.548 17.945 -3.381 1.00 42.00 O ATOM 0 H TYR A 88 22.832 14.079 3.637 1.00 63.12 H new ATOM 0 HA TYR A 88 21.006 15.920 2.572 1.00 24.53 H new ATOM 0 HB2 TYR A 88 23.423 15.770 2.016 1.00 43.32 H new ATOM 0 HB3 TYR A 88 23.147 14.239 1.209 1.00 43.32 H new ATOM 0 HD1 TYR A 88 22.530 17.883 1.022 1.00 34.41 H new ATOM 0 HD2 TYR A 88 22.165 14.155 -1.011 1.00 3.31 H new ATOM 0 HE1 TYR A 88 22.032 19.071 -1.069 1.00 14.52 H new ATOM 0 HE2 TYR A 88 21.676 15.343 -3.103 1.00 71.12 H new ATOM 0 HH TYR A 88 20.598 18.184 -3.406 1.00 42.00 H new ATOM 1365 N VAL A 89 19.327 14.765 1.178 1.00 30.42 N ATOM 1366 CA VAL A 89 18.269 14.087 0.440 1.00 64.04 C ATOM 1367 C VAL A 89 18.116 14.670 -0.961 1.00 34.52 C ATOM 1368 O VAL A 89 18.556 15.787 -1.231 1.00 53.11 O ATOM 1369 CB VAL A 89 16.919 14.185 1.174 1.00 12.43 C ATOM 1370 CG1 VAL A 89 16.844 13.157 2.294 1.00 44.44 C ATOM 1371 CG2 VAL A 89 16.709 15.591 1.716 1.00 43.33 C ATOM 0 H VAL A 89 19.143 15.749 1.371 1.00 30.42 H new ATOM 0 HA VAL A 89 18.558 13.039 0.366 1.00 64.04 H new ATOM 0 HB VAL A 89 16.122 13.971 0.462 1.00 12.43 H new ATOM 0 HG11 VAL A 89 15.883 13.241 2.801 1.00 44.44 H new ATOM 0 HG12 VAL A 89 16.947 12.156 1.876 1.00 44.44 H new ATOM 0 HG13 VAL A 89 17.648 13.337 3.008 1.00 44.44 H new ATOM 0 HG21 VAL A 89 15.750 15.643 2.232 1.00 43.33 H new ATOM 0 HG22 VAL A 89 17.510 15.835 2.414 1.00 43.33 H new ATOM 0 HG23 VAL A 89 16.716 16.304 0.891 1.00 43.33 H new ATOM 1381 N SER A 90 17.488 13.906 -1.849 1.00 34.33 N ATOM 1382 CA SER A 90 17.279 14.345 -3.224 1.00 21.44 C ATOM 1383 C SER A 90 15.811 14.220 -3.617 1.00 70.21 C ATOM 1384 O SER A 90 15.371 13.173 -4.093 1.00 52.41 O ATOM 1385 CB SER A 90 18.147 13.526 -4.181 1.00 31.32 C ATOM 1386 OG SER A 90 19.181 14.318 -4.738 1.00 51.10 O ATOM 0 H SER A 90 17.115 12.980 -1.641 1.00 34.33 H new ATOM 0 HA SER A 90 17.567 15.394 -3.292 1.00 21.44 H new ATOM 0 HB2 SER A 90 18.580 12.679 -3.649 1.00 31.32 H new ATOM 0 HB3 SER A 90 17.527 13.118 -4.979 1.00 31.32 H new ATOM 0 HG SER A 90 19.722 13.770 -5.344 1.00 51.10 H new ATOM 1392 N ALA A 91 15.056 15.294 -3.415 1.00 51.30 N ATOM 1393 CA ALA A 91 13.637 15.307 -3.749 1.00 3.54 C ATOM 1394 C ALA A 91 12.953 14.026 -3.285 1.00 63.52 C ATOM 1395 O ALA A 91 13.433 13.348 -2.376 1.00 43.51 O ATOM 1396 CB ALA A 91 13.451 15.495 -5.247 1.00 52.12 C ATOM 0 H ALA A 91 15.404 16.168 -3.021 1.00 51.30 H new ATOM 0 HA ALA A 91 13.173 16.144 -3.228 1.00 3.54 H new ATOM 0 HB1 ALA A 91 12.387 15.503 -5.483 1.00 52.12 H new ATOM 0 HB2 ALA A 91 13.898 16.441 -5.553 1.00 52.12 H new ATOM 0 HB3 ALA A 91 13.935 14.676 -5.779 1.00 52.12 H new ATOM 1402 N SER A 92 11.829 13.700 -3.914 1.00 61.41 N ATOM 1403 CA SER A 92 11.076 12.502 -3.563 1.00 73.30 C ATOM 1404 C SER A 92 11.865 11.243 -3.907 1.00 62.20 C ATOM 1405 O SER A 92 11.498 10.136 -3.512 1.00 30.33 O ATOM 1406 CB SER A 92 9.730 12.488 -4.291 1.00 13.45 C ATOM 1407 OG SER A 92 8.657 12.360 -3.374 1.00 71.21 O ATOM 0 H SER A 92 11.419 14.249 -4.670 1.00 61.41 H new ATOM 0 HA SER A 92 10.900 12.517 -2.487 1.00 73.30 H new ATOM 0 HB2 SER A 92 9.614 13.407 -4.866 1.00 13.45 H new ATOM 0 HB3 SER A 92 9.706 11.662 -5.002 1.00 13.45 H new ATOM 0 HG SER A 92 7.808 12.355 -3.863 1.00 71.21 H new ATOM 1413 N THR A 93 12.955 11.420 -4.650 1.00 34.15 N ATOM 1414 CA THR A 93 13.797 10.299 -5.049 1.00 44.34 C ATOM 1415 C THR A 93 14.415 9.615 -3.835 1.00 63.24 C ATOM 1416 O THR A 93 14.667 8.410 -3.850 1.00 12.24 O ATOM 1417 CB THR A 93 14.924 10.753 -5.997 1.00 54.05 C ATOM 1418 OG1 THR A 93 14.371 11.476 -7.103 1.00 24.22 O ATOM 1419 CG2 THR A 93 15.715 9.560 -6.507 1.00 24.00 C ATOM 0 H THR A 93 13.274 12.328 -4.987 1.00 34.15 H new ATOM 0 HA THR A 93 13.154 9.592 -5.572 1.00 44.34 H new ATOM 0 HB THR A 93 15.599 11.403 -5.440 1.00 54.05 H new ATOM 0 HG1 THR A 93 15.093 11.763 -7.700 1.00 24.22 H new ATOM 0 HG21 THR A 93 16.505 9.905 -7.174 1.00 24.00 H new ATOM 0 HG22 THR A 93 16.158 9.030 -5.664 1.00 24.00 H new ATOM 0 HG23 THR A 93 15.050 8.888 -7.049 1.00 24.00 H new ATOM 1427 N THR A 94 14.657 10.391 -2.783 1.00 45.33 N ATOM 1428 CA THR A 94 15.246 9.860 -1.560 1.00 63.01 C ATOM 1429 C THR A 94 14.190 9.198 -0.684 1.00 24.41 C ATOM 1430 O THR A 94 13.439 9.874 0.017 1.00 13.44 O ATOM 1431 CB THR A 94 15.950 10.965 -0.750 1.00 23.02 C ATOM 1432 OG1 THR A 94 17.209 11.287 -1.351 1.00 23.03 O ATOM 1433 CG2 THR A 94 16.167 10.524 0.690 1.00 42.11 C ATOM 0 H THR A 94 14.454 11.390 -2.754 1.00 45.33 H new ATOM 0 HA THR A 94 15.983 9.115 -1.861 1.00 63.01 H new ATOM 0 HB THR A 94 15.312 11.849 -0.751 1.00 23.02 H new ATOM 0 HG1 THR A 94 17.122 11.259 -2.327 1.00 23.03 H new ATOM 0 HG21 THR A 94 16.666 11.320 1.243 1.00 42.11 H new ATOM 0 HG22 THR A 94 15.204 10.308 1.153 1.00 42.11 H new ATOM 0 HG23 THR A 94 16.787 9.628 0.707 1.00 42.11 H new ATOM 1441 N GLU A 95 14.138 7.870 -0.729 1.00 51.22 N ATOM 1442 CA GLU A 95 13.172 7.117 0.062 1.00 4.13 C ATOM 1443 C GLU A 95 13.798 6.629 1.365 1.00 22.31 C ATOM 1444 O GLU A 95 14.730 5.822 1.356 1.00 41.23 O ATOM 1445 CB GLU A 95 12.642 5.926 -0.739 1.00 60.32 C ATOM 1446 CG GLU A 95 13.730 5.130 -1.439 1.00 13.04 C ATOM 1447 CD GLU A 95 13.340 3.682 -1.666 1.00 52.04 C ATOM 1448 OE1 GLU A 95 12.364 3.439 -2.407 1.00 15.22 O ATOM 1449 OE2 GLU A 95 14.012 2.792 -1.104 1.00 12.00 O ATOM 0 H GLU A 95 14.753 7.294 -1.304 1.00 51.22 H new ATOM 0 HA GLU A 95 12.342 7.781 0.304 1.00 4.13 H new ATOM 0 HB2 GLU A 95 12.093 5.264 -0.069 1.00 60.32 H new ATOM 0 HB3 GLU A 95 11.932 6.287 -1.483 1.00 60.32 H new ATOM 0 HG2 GLU A 95 13.956 5.596 -2.398 1.00 13.04 H new ATOM 0 HG3 GLU A 95 14.642 5.168 -0.844 1.00 13.04 H new ATOM 1456 N LEU A 96 13.282 7.123 2.484 1.00 14.21 N ATOM 1457 CA LEU A 96 13.790 6.739 3.797 1.00 12.02 C ATOM 1458 C LEU A 96 12.810 5.813 4.510 1.00 23.21 C ATOM 1459 O LEU A 96 13.211 4.953 5.293 1.00 21.53 O ATOM 1460 CB LEU A 96 14.046 7.982 4.650 1.00 44.22 C ATOM 1461 CG LEU A 96 13.242 9.229 4.280 1.00 64.42 C ATOM 1462 CD1 LEU A 96 13.640 9.730 2.900 1.00 10.33 C ATOM 1463 CD2 LEU A 96 11.750 8.936 4.333 1.00 73.50 C ATOM 0 H LEU A 96 12.512 7.791 2.509 1.00 14.21 H new ATOM 0 HA LEU A 96 14.729 6.204 3.654 1.00 12.02 H new ATOM 0 HB2 LEU A 96 13.835 7.734 5.690 1.00 44.22 H new ATOM 0 HB3 LEU A 96 15.106 8.227 4.590 1.00 44.22 H new ATOM 0 HG LEU A 96 13.465 10.011 5.006 1.00 64.42 H new ATOM 0 HD11 LEU A 96 13.058 10.618 2.653 1.00 10.33 H new ATOM 0 HD12 LEU A 96 14.701 9.979 2.895 1.00 10.33 H new ATOM 0 HD13 LEU A 96 13.447 8.952 2.161 1.00 10.33 H new ATOM 0 HD21 LEU A 96 11.193 9.834 4.067 1.00 73.50 H new ATOM 0 HD22 LEU A 96 11.511 8.139 3.629 1.00 73.50 H new ATOM 0 HD23 LEU A 96 11.476 8.625 5.341 1.00 73.50 H new ATOM 1475 N VAL A 97 11.522 5.994 4.232 1.00 4.25 N ATOM 1476 CA VAL A 97 10.485 5.172 4.845 1.00 64.32 C ATOM 1477 C VAL A 97 9.208 5.189 4.012 1.00 31.13 C ATOM 1478 O VAL A 97 8.811 6.229 3.486 1.00 5.42 O ATOM 1479 CB VAL A 97 10.160 5.650 6.272 1.00 3.22 C ATOM 1480 CG1 VAL A 97 8.804 5.124 6.715 1.00 0.22 C ATOM 1481 CG2 VAL A 97 11.252 5.217 7.239 1.00 15.34 C ATOM 0 H VAL A 97 11.172 6.702 3.587 1.00 4.25 H new ATOM 0 HA VAL A 97 10.873 4.154 4.891 1.00 64.32 H new ATOM 0 HB VAL A 97 10.117 6.739 6.272 1.00 3.22 H new ATOM 0 HG11 VAL A 97 8.591 5.472 7.726 1.00 0.22 H new ATOM 0 HG12 VAL A 97 8.033 5.488 6.036 1.00 0.22 H new ATOM 0 HG13 VAL A 97 8.814 4.034 6.701 1.00 0.22 H new ATOM 0 HG21 VAL A 97 11.007 5.563 8.243 1.00 15.34 H new ATOM 0 HG22 VAL A 97 11.328 4.130 7.238 1.00 15.34 H new ATOM 0 HG23 VAL A 97 12.204 5.648 6.929 1.00 15.34 H new ATOM 1491 N ARG A 98 8.569 4.030 3.896 1.00 32.45 N ATOM 1492 CA ARG A 98 7.336 3.910 3.128 1.00 40.15 C ATOM 1493 C ARG A 98 6.162 3.553 4.034 1.00 71.04 C ATOM 1494 O ARG A 98 6.346 2.993 5.114 1.00 72.43 O ATOM 1495 CB ARG A 98 7.491 2.852 2.035 1.00 2.02 C ATOM 1496 CG ARG A 98 7.572 1.432 2.571 1.00 74.40 C ATOM 1497 CD ARG A 98 7.884 0.435 1.465 1.00 53.01 C ATOM 1498 NE ARG A 98 8.408 -0.822 1.992 1.00 61.12 N ATOM 1499 CZ ARG A 98 9.659 -0.978 2.411 1.00 75.41 C ATOM 1500 NH1 ARG A 98 10.509 0.038 2.365 1.00 64.24 N ATOM 1501 NH2 ARG A 98 10.061 -2.153 2.877 1.00 31.25 N ATOM 0 H ARG A 98 8.885 3.160 4.324 1.00 32.45 H new ATOM 0 HA ARG A 98 7.133 4.875 2.664 1.00 40.15 H new ATOM 0 HB2 ARG A 98 6.648 2.925 1.348 1.00 2.02 H new ATOM 0 HB3 ARG A 98 8.391 3.066 1.459 1.00 2.02 H new ATOM 0 HG2 ARG A 98 8.342 1.376 3.341 1.00 74.40 H new ATOM 0 HG3 ARG A 98 6.627 1.167 3.045 1.00 74.40 H new ATOM 0 HD2 ARG A 98 6.980 0.238 0.889 1.00 53.01 H new ATOM 0 HD3 ARG A 98 8.610 0.871 0.779 1.00 53.01 H new ATOM 0 HE ARG A 98 7.779 -1.624 2.041 1.00 61.12 H new ATOM 0 HH11 ARG A 98 10.203 0.943 2.007 1.00 64.24 H new ATOM 0 HH12 ARG A 98 11.469 -0.085 2.687 1.00 64.24 H new ATOM 0 HH21 ARG A 98 9.410 -2.937 2.914 1.00 31.25 H new ATOM 0 HH22 ARG A 98 11.022 -2.273 3.199 1.00 31.25 H new ATOM 1515 N VAL A 99 4.954 3.882 3.586 1.00 33.33 N ATOM 1516 CA VAL A 99 3.749 3.595 4.356 1.00 72.11 C ATOM 1517 C VAL A 99 2.980 2.423 3.757 1.00 1.05 C ATOM 1518 O VAL A 99 2.668 2.414 2.566 1.00 24.31 O ATOM 1519 CB VAL A 99 2.821 4.823 4.424 1.00 31.22 C ATOM 1520 CG1 VAL A 99 1.485 4.448 5.047 1.00 44.52 C ATOM 1521 CG2 VAL A 99 3.484 5.949 5.202 1.00 50.21 C ATOM 0 H VAL A 99 4.784 4.347 2.694 1.00 33.33 H new ATOM 0 HA VAL A 99 4.072 3.336 5.364 1.00 72.11 H new ATOM 0 HB VAL A 99 2.636 5.174 3.409 1.00 31.22 H new ATOM 0 HG11 VAL A 99 0.842 5.328 5.087 1.00 44.52 H new ATOM 0 HG12 VAL A 99 1.006 3.676 4.444 1.00 44.52 H new ATOM 0 HG13 VAL A 99 1.647 4.071 6.057 1.00 44.52 H new ATOM 0 HG21 VAL A 99 2.815 6.808 5.240 1.00 50.21 H new ATOM 0 HG22 VAL A 99 3.700 5.612 6.216 1.00 50.21 H new ATOM 0 HG23 VAL A 99 4.413 6.234 4.708 1.00 50.21 H new ATOM 1531 N THR A 100 2.676 1.434 4.592 1.00 22.42 N ATOM 1532 CA THR A 100 1.944 0.256 4.145 1.00 32.43 C ATOM 1533 C THR A 100 0.567 0.184 4.795 1.00 42.13 C ATOM 1534 O THR A 100 0.264 0.945 5.713 1.00 52.42 O ATOM 1535 CB THR A 100 2.716 -1.039 4.463 1.00 71.33 C ATOM 1536 OG1 THR A 100 2.042 -2.165 3.888 1.00 2.43 O ATOM 1537 CG2 THR A 100 2.849 -1.235 5.966 1.00 40.05 C ATOM 0 H THR A 100 2.925 1.426 5.581 1.00 22.42 H new ATOM 0 HA THR A 100 1.829 0.347 3.065 1.00 32.43 H new ATOM 0 HB THR A 100 3.714 -0.955 4.034 1.00 71.33 H new ATOM 0 HG1 THR A 100 2.540 -2.984 4.093 1.00 2.43 H new ATOM 0 HG21 THR A 100 3.397 -2.156 6.166 1.00 40.05 H new ATOM 0 HG22 THR A 100 3.388 -0.391 6.397 1.00 40.05 H new ATOM 0 HG23 THR A 100 1.857 -1.299 6.414 1.00 40.05 H new ATOM 1545 N ASN A 101 -0.264 -0.734 4.313 1.00 64.12 N ATOM 1546 CA ASN A 101 -1.611 -0.904 4.847 1.00 4.51 C ATOM 1547 C ASN A 101 -2.478 0.311 4.532 1.00 21.13 C ATOM 1548 O ASN A 101 -1.990 1.322 4.025 1.00 64.14 O ATOM 1549 CB ASN A 101 -1.556 -1.127 6.359 1.00 14.33 C ATOM 1550 CG ASN A 101 -2.342 -2.351 6.792 1.00 53.40 C ATOM 1551 OD1 ASN A 101 -1.966 -3.482 6.487 1.00 32.24 O ATOM 1552 ND2 ASN A 101 -3.439 -2.127 7.505 1.00 74.04 N ATOM 0 H ASN A 101 -0.028 -1.372 3.553 1.00 64.12 H new ATOM 0 HA ASN A 101 -2.057 -1.778 4.373 1.00 4.51 H new ATOM 0 HB2 ASN A 101 -0.517 -1.237 6.670 1.00 14.33 H new ATOM 0 HB3 ASN A 101 -1.949 -0.247 6.868 1.00 14.33 H new ATOM 0 HD21 ASN A 101 -4.009 -2.911 7.824 1.00 74.04 H new ATOM 0 HD22 ASN A 101 -3.712 -1.171 7.734 1.00 74.04 H new ATOM 1559 N LEU A 102 -3.766 0.205 4.835 1.00 15.25 N ATOM 1560 CA LEU A 102 -4.703 1.295 4.585 1.00 14.33 C ATOM 1561 C LEU A 102 -4.793 1.606 3.095 1.00 10.23 C ATOM 1562 O LEU A 102 -3.938 1.192 2.313 1.00 11.11 O ATOM 1563 CB LEU A 102 -4.277 2.547 5.354 1.00 51.52 C ATOM 1564 CG LEU A 102 -5.026 2.823 6.659 1.00 24.54 C ATOM 1565 CD1 LEU A 102 -6.495 3.098 6.382 1.00 53.42 C ATOM 1566 CD2 LEU A 102 -4.872 1.651 7.619 1.00 75.43 C ATOM 0 H LEU A 102 -4.186 -0.624 5.254 1.00 15.25 H new ATOM 0 HA LEU A 102 -5.687 0.981 4.931 1.00 14.33 H new ATOM 0 HB2 LEU A 102 -3.214 2.466 5.579 1.00 51.52 H new ATOM 0 HB3 LEU A 102 -4.399 3.410 4.699 1.00 51.52 H new ATOM 0 HG LEU A 102 -4.594 3.708 7.125 1.00 24.54 H new ATOM 0 HD11 LEU A 102 -7.012 3.292 7.322 1.00 53.42 H new ATOM 0 HD12 LEU A 102 -6.586 3.968 5.731 1.00 53.42 H new ATOM 0 HD13 LEU A 102 -6.942 2.232 5.894 1.00 53.42 H new ATOM 0 HD21 LEU A 102 -5.411 1.864 8.542 1.00 75.43 H new ATOM 0 HD22 LEU A 102 -5.279 0.750 7.161 1.00 75.43 H new ATOM 0 HD23 LEU A 102 -3.816 1.500 7.842 1.00 75.43 H new ATOM 1578 N ASN A 103 -5.832 2.338 2.709 1.00 34.02 N ATOM 1579 CA ASN A 103 -6.033 2.706 1.313 1.00 44.32 C ATOM 1580 C ASN A 103 -5.775 4.194 1.099 1.00 1.23 C ATOM 1581 O ASN A 103 -5.946 5.015 2.001 1.00 71.04 O ATOM 1582 CB ASN A 103 -7.455 2.355 0.870 1.00 31.01 C ATOM 1583 CG ASN A 103 -8.474 2.580 1.970 1.00 72.31 C ATOM 1584 OD1 ASN A 103 -9.057 3.659 2.080 1.00 61.52 O ATOM 1585 ND2 ASN A 103 -8.694 1.560 2.790 1.00 12.43 N ATOM 0 H ASN A 103 -6.549 2.689 3.344 1.00 34.02 H new ATOM 0 HA ASN A 103 -5.322 2.142 0.710 1.00 44.32 H new ATOM 0 HB2 ASN A 103 -7.722 2.958 0.002 1.00 31.01 H new ATOM 0 HB3 ASN A 103 -7.488 1.312 0.556 1.00 31.01 H new ATOM 0 HD21 ASN A 103 -9.369 1.652 3.549 1.00 12.43 H new ATOM 0 HD22 ASN A 103 -8.188 0.684 2.661 1.00 12.43 H new ATOM 1592 N PRO A 104 -5.352 4.553 -0.122 1.00 24.24 N ATOM 1593 CA PRO A 104 -5.061 5.943 -0.484 1.00 35.01 C ATOM 1594 C PRO A 104 -6.321 6.797 -0.562 1.00 74.54 C ATOM 1595 O PRO A 104 -7.187 6.565 -1.408 1.00 41.41 O ATOM 1596 CB PRO A 104 -4.409 5.822 -1.863 1.00 0.22 C ATOM 1597 CG PRO A 104 -4.935 4.545 -2.421 1.00 51.50 C ATOM 1598 CD PRO A 104 -5.124 3.627 -1.245 1.00 13.55 C ATOM 0 HA PRO A 104 -4.431 6.434 0.258 1.00 35.01 H new ATOM 0 HB2 PRO A 104 -4.668 6.668 -2.499 1.00 0.22 H new ATOM 0 HB3 PRO A 104 -3.322 5.802 -1.786 1.00 0.22 H new ATOM 0 HG2 PRO A 104 -5.877 4.707 -2.945 1.00 51.50 H new ATOM 0 HG3 PRO A 104 -4.238 4.118 -3.142 1.00 51.50 H new ATOM 0 HD2 PRO A 104 -5.971 2.956 -1.391 1.00 13.55 H new ATOM 0 HD3 PRO A 104 -4.247 3.002 -1.078 1.00 13.55 H new ATOM 1606 N ILE A 105 -6.419 7.784 0.321 1.00 32.54 N ATOM 1607 CA ILE A 105 -7.575 8.671 0.350 1.00 51.45 C ATOM 1608 C ILE A 105 -7.227 10.044 -0.218 1.00 50.32 C ATOM 1609 O ILE A 105 -6.060 10.435 -0.251 1.00 55.32 O ATOM 1610 CB ILE A 105 -8.119 8.843 1.780 1.00 11.13 C ATOM 1611 CG1 ILE A 105 -8.096 7.505 2.522 1.00 24.12 C ATOM 1612 CG2 ILE A 105 -9.530 9.412 1.746 1.00 25.01 C ATOM 1613 CD1 ILE A 105 -6.857 7.303 3.366 1.00 42.44 C ATOM 0 H ILE A 105 -5.712 7.990 1.026 1.00 32.54 H new ATOM 0 HA ILE A 105 -8.344 8.207 -0.268 1.00 51.45 H new ATOM 0 HB ILE A 105 -7.479 9.545 2.314 1.00 11.13 H new ATOM 0 HG12 ILE A 105 -8.976 7.438 3.162 1.00 24.12 H new ATOM 0 HG13 ILE A 105 -8.167 6.695 1.796 1.00 24.12 H new ATOM 0 HG21 ILE A 105 -9.900 9.528 2.765 1.00 25.01 H new ATOM 0 HG22 ILE A 105 -9.519 10.383 1.252 1.00 25.01 H new ATOM 0 HG23 ILE A 105 -10.183 8.733 1.197 1.00 25.01 H new ATOM 0 HD11 ILE A 105 -6.909 6.334 3.863 1.00 42.44 H new ATOM 0 HD12 ILE A 105 -5.973 7.337 2.729 1.00 42.44 H new ATOM 0 HD13 ILE A 105 -6.795 8.092 4.115 1.00 42.44 H new ATOM 1625 N TYR A 106 -8.246 10.770 -0.661 1.00 42.34 N ATOM 1626 CA TYR A 106 -8.048 12.099 -1.229 1.00 14.31 C ATOM 1627 C TYR A 106 -9.227 13.012 -0.900 1.00 4.42 C ATOM 1628 O TYR A 106 -9.044 14.181 -0.561 1.00 71.31 O ATOM 1629 CB TYR A 106 -7.866 12.008 -2.745 1.00 14.11 C ATOM 1630 CG TYR A 106 -6.917 10.914 -3.175 1.00 23.42 C ATOM 1631 CD1 TYR A 106 -7.342 9.593 -3.264 1.00 52.21 C ATOM 1632 CD2 TYR A 106 -5.594 11.198 -3.493 1.00 14.34 C ATOM 1633 CE1 TYR A 106 -6.478 8.589 -3.657 1.00 51.13 C ATOM 1634 CE2 TYR A 106 -4.724 10.202 -3.887 1.00 22.43 C ATOM 1635 CZ TYR A 106 -5.171 8.899 -3.968 1.00 5.03 C ATOM 1636 OH TYR A 106 -4.305 7.902 -4.359 1.00 62.44 O ATOM 0 H TYR A 106 -9.218 10.462 -0.638 1.00 42.34 H new ATOM 0 HA TYR A 106 -7.147 12.525 -0.788 1.00 14.31 H new ATOM 0 HB2 TYR A 106 -8.837 11.838 -3.210 1.00 14.11 H new ATOM 0 HB3 TYR A 106 -7.497 12.964 -3.116 1.00 14.11 H new ATOM 0 HD1 TYR A 106 -8.365 9.347 -3.022 1.00 52.21 H new ATOM 0 HD2 TYR A 106 -5.241 12.217 -3.431 1.00 14.34 H new ATOM 0 HE1 TYR A 106 -6.824 7.568 -3.720 1.00 51.13 H new ATOM 0 HE2 TYR A 106 -3.699 10.441 -4.131 1.00 22.43 H new ATOM 0 HH TYR A 106 -3.423 8.288 -4.543 1.00 62.44 H new ATOM 1646 N ALA A 107 -10.434 12.468 -1.003 1.00 71.42 N ATOM 1647 CA ALA A 107 -11.642 13.231 -0.716 1.00 33.02 C ATOM 1648 C ALA A 107 -11.541 13.931 0.635 1.00 50.50 C ATOM 1649 O ALA A 107 -10.693 13.590 1.460 1.00 43.32 O ATOM 1650 CB ALA A 107 -12.862 12.322 -0.751 1.00 52.03 C ATOM 0 H ALA A 107 -10.602 11.502 -1.283 1.00 71.42 H new ATOM 0 HA ALA A 107 -11.750 13.996 -1.485 1.00 33.02 H new ATOM 0 HB1 ALA A 107 -13.757 12.906 -0.535 1.00 52.03 H new ATOM 0 HB2 ALA A 107 -12.952 11.872 -1.740 1.00 52.03 H new ATOM 0 HB3 ALA A 107 -12.752 11.536 -0.004 1.00 52.03 H new ATOM 1656 N ASP A 108 -12.410 14.912 0.855 1.00 60.33 N ATOM 1657 CA ASP A 108 -12.419 15.659 2.107 1.00 44.14 C ATOM 1658 C ASP A 108 -13.279 14.958 3.153 1.00 41.51 C ATOM 1659 O ASP A 108 -14.188 14.201 2.819 1.00 64.34 O ATOM 1660 CB ASP A 108 -12.934 17.080 1.873 1.00 52.13 C ATOM 1661 CG ASP A 108 -12.980 17.897 3.150 1.00 72.43 C ATOM 1662 OD1 ASP A 108 -11.910 18.110 3.756 1.00 12.40 O ATOM 1663 OD2 ASP A 108 -14.087 18.323 3.541 1.00 41.45 O ATOM 0 H ASP A 108 -13.117 15.208 0.182 1.00 60.33 H new ATOM 0 HA ASP A 108 -11.396 15.708 2.480 1.00 44.14 H new ATOM 0 HB2 ASP A 108 -12.293 17.581 1.148 1.00 52.13 H new ATOM 0 HB3 ASP A 108 -13.932 17.034 1.438 1.00 52.13 H new ATOM 1668 N GLY A 109 -12.983 15.216 4.424 1.00 34.11 N ATOM 1669 CA GLY A 109 -13.737 14.600 5.501 1.00 65.12 C ATOM 1670 C GLY A 109 -13.870 15.508 6.708 1.00 62.51 C ATOM 1671 O GLY A 109 -13.210 16.544 6.790 1.00 70.33 O ATOM 0 H GLY A 109 -12.235 15.840 4.727 1.00 34.11 H new ATOM 0 HA2 GLY A 109 -14.730 14.334 5.139 1.00 65.12 H new ATOM 0 HA3 GLY A 109 -13.247 13.673 5.800 1.00 65.12 H new ATOM 1675 N SER A 110 -14.726 15.118 7.647 1.00 3.52 N ATOM 1676 CA SER A 110 -14.947 15.907 8.854 1.00 61.41 C ATOM 1677 C SER A 110 -13.663 16.022 9.670 1.00 64.12 C ATOM 1678 O SER A 110 -13.273 17.115 10.082 1.00 5.22 O ATOM 1679 CB SER A 110 -16.051 15.276 9.705 1.00 53.01 C ATOM 1680 OG SER A 110 -17.070 16.217 9.997 1.00 62.23 O ATOM 0 H SER A 110 -15.277 14.261 7.596 1.00 3.52 H new ATOM 0 HA SER A 110 -15.257 16.908 8.553 1.00 61.41 H new ATOM 0 HB2 SER A 110 -16.479 14.424 9.177 1.00 53.01 H new ATOM 0 HB3 SER A 110 -15.626 14.895 10.634 1.00 53.01 H new ATOM 0 HG SER A 110 -17.764 15.789 10.540 1.00 62.23 H new ATOM 1686 N HIS A 111 -13.011 14.886 9.900 1.00 54.22 N ATOM 1687 CA HIS A 111 -11.771 14.860 10.667 1.00 24.12 C ATOM 1688 C HIS A 111 -12.006 15.332 12.098 1.00 11.22 C ATOM 1689 O HIS A 111 -13.029 15.949 12.399 1.00 11.22 O ATOM 1690 CB HIS A 111 -10.713 15.735 9.996 1.00 40.52 C ATOM 1691 CG HIS A 111 -9.384 15.061 9.846 1.00 62.55 C ATOM 1692 ND1 HIS A 111 -9.187 13.957 9.044 1.00 24.35 N ATOM 1693 CD2 HIS A 111 -8.181 15.340 10.400 1.00 51.03 C ATOM 1694 CE1 HIS A 111 -7.921 13.585 9.112 1.00 43.32 C ATOM 1695 NE2 HIS A 111 -7.289 14.410 9.928 1.00 25.04 N ATOM 0 H HIS A 111 -13.321 13.973 9.567 1.00 54.22 H new ATOM 0 HA HIS A 111 -11.414 13.831 10.698 1.00 24.12 H new ATOM 0 HB2 HIS A 111 -11.072 16.034 9.011 1.00 40.52 H new ATOM 0 HB3 HIS A 111 -10.585 16.647 10.579 1.00 40.52 H new ATOM 0 HD2 HIS A 111 -7.963 16.145 11.086 1.00 51.03 H new ATOM 0 HE1 HIS A 111 -7.478 12.750 8.590 1.00 43.32 H new ATOM 0 HE2 HIS A 111 -6.299 14.363 10.168 1.00 25.04 H new ATOM 1703 N HIS A 112 -11.054 15.038 12.979 1.00 65.45 N ATOM 1704 CA HIS A 112 -11.158 15.433 14.378 1.00 0.32 C ATOM 1705 C HIS A 112 -10.175 16.554 14.701 1.00 41.12 C ATOM 1706 O HIS A 112 -9.130 16.679 14.063 1.00 4.30 O ATOM 1707 CB HIS A 112 -10.898 14.232 15.290 1.00 61.14 C ATOM 1708 CG HIS A 112 -11.894 13.126 15.122 1.00 42.22 C ATOM 1709 ND1 HIS A 112 -11.661 11.834 15.541 1.00 24.32 N ATOM 1710 CD2 HIS A 112 -13.134 13.127 14.578 1.00 24.11 C ATOM 1711 CE1 HIS A 112 -12.713 11.086 15.261 1.00 22.52 C ATOM 1712 NE2 HIS A 112 -13.622 11.847 14.677 1.00 2.22 N ATOM 0 H HIS A 112 -10.202 14.527 12.748 1.00 65.45 H new ATOM 0 HA HIS A 112 -12.170 15.800 14.552 1.00 0.32 H new ATOM 0 HB2 HIS A 112 -9.899 13.844 15.090 1.00 61.14 H new ATOM 0 HB3 HIS A 112 -10.909 14.565 16.328 1.00 61.14 H new ATOM 0 HD2 HIS A 112 -13.644 13.976 14.147 1.00 24.11 H new ATOM 0 HE1 HIS A 112 -12.813 10.032 15.473 1.00 22.52 H new ATOM 0 HE2 HIS A 112 -14.537 11.535 14.353 1.00 2.22 H new ATOM 1720 N HIS A 113 -10.517 17.367 15.695 1.00 31.44 N ATOM 1721 CA HIS A 113 -9.665 18.477 16.103 1.00 51.40 C ATOM 1722 C HIS A 113 -9.440 18.465 17.612 1.00 54.43 C ATOM 1723 O HIS A 113 -10.135 17.763 18.347 1.00 13.45 O ATOM 1724 CB HIS A 113 -10.288 19.808 15.679 1.00 2.52 C ATOM 1725 CG HIS A 113 -11.556 20.134 16.405 1.00 73.21 C ATOM 1726 ND1 HIS A 113 -11.662 21.171 17.307 1.00 75.22 N ATOM 1727 CD2 HIS A 113 -12.778 19.552 16.358 1.00 44.51 C ATOM 1728 CE1 HIS A 113 -12.894 21.213 17.784 1.00 14.31 C ATOM 1729 NE2 HIS A 113 -13.591 20.241 17.223 1.00 55.44 N ATOM 0 H HIS A 113 -11.379 17.278 16.233 1.00 31.44 H new ATOM 0 HA HIS A 113 -8.700 18.362 15.609 1.00 51.40 H new ATOM 0 HB2 HIS A 113 -9.567 20.607 15.848 1.00 2.52 H new ATOM 0 HB3 HIS A 113 -10.489 19.781 14.608 1.00 2.52 H new ATOM 0 HD2 HIS A 113 -13.060 18.703 15.752 1.00 44.51 H new ATOM 0 HE1 HIS A 113 -13.267 21.921 18.509 1.00 14.31 H new ATOM 0 HE2 HIS A 113 -14.574 20.036 17.403 1.00 55.44 H new ATOM 1737 N HIS A 114 -8.464 19.245 18.067 1.00 61.43 N ATOM 1738 CA HIS A 114 -8.148 19.324 19.488 1.00 20.25 C ATOM 1739 C HIS A 114 -7.232 20.510 19.777 1.00 24.52 C ATOM 1740 O HIS A 114 -6.755 21.176 18.858 1.00 0.33 O ATOM 1741 CB HIS A 114 -7.486 18.028 19.957 1.00 31.21 C ATOM 1742 CG HIS A 114 -7.930 17.587 21.318 1.00 2.25 C ATOM 1743 ND1 HIS A 114 -9.169 17.036 21.565 1.00 63.05 N ATOM 1744 CD2 HIS A 114 -7.289 17.616 22.510 1.00 51.31 C ATOM 1745 CE1 HIS A 114 -9.274 16.749 22.849 1.00 2.05 C ATOM 1746 NE2 HIS A 114 -8.145 17.090 23.446 1.00 74.53 N ATOM 0 H HIS A 114 -7.879 19.831 17.472 1.00 61.43 H new ATOM 0 HA HIS A 114 -9.080 19.466 20.035 1.00 20.25 H new ATOM 0 HB2 HIS A 114 -7.704 17.238 19.239 1.00 31.21 H new ATOM 0 HB3 HIS A 114 -6.404 18.164 19.963 1.00 31.21 H new ATOM 0 HD2 HIS A 114 -6.290 17.984 22.691 1.00 51.31 H new ATOM 0 HE1 HIS A 114 -10.136 16.310 23.330 1.00 2.05 H new ATOM 0 HE2 HIS A 114 -7.943 16.980 24.440 1.00 74.53 H new ATOM 1754 N HIS A 115 -6.991 20.767 21.058 1.00 74.41 N ATOM 1755 CA HIS A 115 -6.133 21.873 21.467 1.00 31.32 C ATOM 1756 C HIS A 115 -5.792 21.776 22.951 1.00 14.34 C ATOM 1757 O HIS A 115 -4.622 21.719 23.328 1.00 45.43 O ATOM 1758 CB HIS A 115 -6.814 23.210 21.175 1.00 11.12 C ATOM 1759 CG HIS A 115 -5.878 24.379 21.202 1.00 4.15 C ATOM 1760 ND1 HIS A 115 -5.690 25.168 22.318 1.00 24.45 N ATOM 1761 CD2 HIS A 115 -5.071 24.890 20.244 1.00 23.30 C ATOM 1762 CE1 HIS A 115 -4.810 26.113 22.044 1.00 65.01 C ATOM 1763 NE2 HIS A 115 -4.419 25.967 20.791 1.00 1.03 N ATOM 0 H HIS A 115 -7.377 20.225 21.831 1.00 74.41 H new ATOM 0 HA HIS A 115 -5.207 21.813 20.895 1.00 31.32 H new ATOM 0 HB2 HIS A 115 -7.290 23.159 20.196 1.00 11.12 H new ATOM 0 HB3 HIS A 115 -7.606 23.372 21.906 1.00 11.12 H new ATOM 0 HD2 HIS A 115 -4.960 24.519 19.236 1.00 23.30 H new ATOM 0 HE1 HIS A 115 -4.468 26.876 22.728 1.00 65.01 H new ATOM 0 HE2 HIS A 115 -3.743 26.558 20.308 1.00 1.03 H new ATOM 1771 N HIS A 116 -6.823 21.759 23.791 1.00 22.21 N ATOM 1772 CA HIS A 116 -6.633 21.669 25.234 1.00 4.25 C ATOM 1773 C HIS A 116 -5.734 22.796 25.734 1.00 34.43 C ATOM 1774 O HIS A 116 -5.969 23.952 25.387 1.00 61.24 O ATOM 1775 CB HIS A 116 -6.028 20.315 25.607 1.00 72.24 C ATOM 1776 CG HIS A 116 -6.458 19.817 26.952 1.00 4.23 C ATOM 1777 ND1 HIS A 116 -7.781 19.656 27.308 1.00 5.22 N ATOM 1778 CD2 HIS A 116 -5.731 19.441 28.031 1.00 40.33 C ATOM 1779 CE1 HIS A 116 -7.848 19.205 28.548 1.00 51.02 C ATOM 1780 NE2 HIS A 116 -6.619 19.067 29.009 1.00 23.24 N ATOM 0 H HIS A 116 -7.798 21.806 23.496 1.00 22.21 H new ATOM 0 HA HIS A 116 -7.608 21.766 25.711 1.00 4.25 H new ATOM 0 HB2 HIS A 116 -6.307 19.581 24.851 1.00 72.24 H new ATOM 0 HB3 HIS A 116 -4.941 20.395 25.589 1.00 72.24 H new ATOM 0 HD2 HIS A 116 -4.654 19.436 28.108 1.00 40.33 H new ATOM 0 HE1 HIS A 116 -8.755 18.986 29.092 1.00 51.02 H new ATOM 0 HE2 HIS A 116 -6.369 18.736 29.941 1.00 23.24 H new TER 1788 HIS A 116 HETATM 1789 C1 B6D A 117 19.027 30.459 9.717 1.00 74.51 C HETATM 1790 N2 B6D A 117 20.323 28.601 8.757 1.00 14.01 N HETATM 1791 C3 B6D A 117 19.836 28.595 11.208 1.00 53.41 C HETATM 1792 C4 B6D A 117 19.673 29.521 12.429 1.00 73.04 C HETATM 1793 C5 B6D A 117 18.584 30.585 12.172 1.00 21.34 C HETATM 1794 C6 B6D A 117 18.494 31.652 13.261 1.00 1.13 C HETATM 1795 C7 B6D A 117 21.527 28.312 8.159 1.00 44.54 C HETATM 1796 C8 B6D A 117 21.443 27.585 6.795 1.00 21.34 C HETATM 1797 C9 B6D A 117 17.954 27.489 15.232 1.00 45.01 C HETATM 1798 C2 B6D A 117 20.158 29.441 9.953 1.00 31.13 C HETATM 1799 O7 B6D A 117 22.609 28.576 8.652 1.00 22.30 O HETATM 1800 N4 B6D A 117 19.340 28.742 13.628 1.00 55.32 N HETATM 1801 C10 B6D A 117 18.126 28.140 13.845 1.00 33.21 C HETATM 1802 O10 B6D A 117 17.236 28.087 13.013 1.00 20.11 O HETATM 1803 O5 B6D A 117 18.893 31.309 10.917 1.00 65.44 O HETATM 1804 O3 B6D A 117 20.947 27.663 11.472 1.00 14.40 O HETATM 0 HN4 B6D A 117 20.057 28.642 14.346 1.00 55.32 H new HETATM 0 HN2 B6D A 117 19.481 28.203 8.340 1.00 14.01 H new HETATM 0 H9B B6D A 117 18.711 26.717 15.368 1.00 45.01 H new HETATM 0 H9A B6D A 117 18.066 28.248 16.006 1.00 45.01 H new HETATM 0 H9 B6D A 117 16.963 27.042 15.303 1.00 45.01 H new HETATM 0 H8B B6D A 117 20.929 26.632 6.922 1.00 21.34 H new HETATM 0 H8A B6D A 117 20.892 28.203 6.087 1.00 21.34 H new HETATM 0 H8 B6D A 117 22.449 27.407 6.415 1.00 21.34 H new HETATM 0 H6B B6D A 117 18.264 31.179 14.216 1.00 1.13 H new HETATM 0 H6A B6D A 117 19.447 32.177 13.336 1.00 1.13 H new HETATM 0 H6 B6D A 117 17.707 32.363 13.010 1.00 1.13 H new HETATM 0 H5 B6D A 117 17.643 30.036 12.136 1.00 21.34 H new HETATM 0 H4 B6D A 117 20.623 30.030 12.592 1.00 73.04 H new HETATM 0 H3 B6D A 117 18.914 28.040 11.035 1.00 53.41 H new HETATM 0 H2 B6D A 117 21.100 29.959 10.129 1.00 31.13 H new HETATM 1821 C1 A2G A 118 20.546 26.277 11.825 1.00 75.04 C HETATM 1822 C2 A2G A 118 21.599 25.669 12.765 1.00 61.40 C HETATM 1823 C3 A2G A 118 22.955 25.670 12.033 1.00 1.44 C HETATM 1824 C4 A2G A 118 22.875 24.781 10.718 1.00 63.13 C HETATM 1825 C5 A2G A 118 21.711 25.232 9.862 1.00 63.33 C HETATM 1826 C6 A2G A 118 21.441 24.431 8.580 1.00 73.52 C HETATM 1827 C7 A2G A 118 20.908 25.979 15.148 1.00 24.53 C HETATM 1828 C8 A2G A 118 21.016 26.891 16.384 1.00 3.13 C HETATM 1829 O A2G A 118 20.449 25.399 10.636 1.00 31.40 O HETATM 1830 O3 A2G A 118 24.006 25.234 12.902 1.00 23.32 O HETATM 1831 O4 A2G A 118 22.638 23.381 11.117 1.00 63.01 O HETATM 1832 O6 A2G A 118 20.065 24.538 8.196 1.00 30.45 O HETATM 1833 O7 A2G A 118 20.232 24.964 15.180 1.00 34.22 O HETATM 1834 N2 A2G A 118 21.632 26.379 14.050 1.00 15.32 N HETATM 0 HO3 A2G A 118 24.857 25.241 12.416 1.00 23.32 H new HETATM 0 HN2 A2G A 118 22.220 27.208 14.132 1.00 15.32 H new HETATM 0 H8B A2G A 118 22.056 26.946 16.706 1.00 3.13 H new HETATM 0 H8A A2G A 118 20.662 27.890 16.131 1.00 3.13 H new HETATM 0 H8 A2G A 118 20.407 26.484 17.191 1.00 3.13 H new HETATM 0 H6 A2G A 118 21.699 23.384 8.738 1.00 73.52 H new HETATM 0 H5 A2G A 118 22.060 26.205 9.518 1.00 63.33 H new HETATM 0 H4 A2G A 118 23.804 24.878 10.156 1.00 63.13 H new HETATM 0 H3 A2G A 118 23.187 26.692 11.732 1.00 1.44 H new HETATM 0 H2 A2G A 118 21.344 24.639 13.013 1.00 61.40 H new HETATM 0 H15 A2G A 118 19.547 24.915 8.937 1.00 30.45 H new HETATM 0 H14 A2G A 118 22.078 24.798 7.775 1.00 73.52 H new HETATM 1848 C1 A2G A 119 23.418 22.364 10.366 1.00 24.20 C HETATM 1849 C2 A2G A 119 22.661 21.028 10.389 1.00 21.35 C HETATM 1850 C3 A2G A 119 22.485 20.598 11.859 1.00 45.24 C HETATM 1851 C4 A2G A 119 23.903 20.389 12.548 1.00 13.41 C HETATM 1852 C5 A2G A 119 24.752 21.629 12.363 1.00 4.44 C HETATM 1853 C6 A2G A 119 26.187 21.574 12.907 1.00 61.21 C HETATM 1854 C7 A2G A 119 20.898 20.118 8.866 1.00 11.24 C HETATM 1855 C8 A2G A 119 19.574 20.428 8.143 1.00 73.13 C HETATM 1856 O A2G A 119 24.755 22.128 10.959 1.00 2.52 O HETATM 1857 O3 A2G A 119 21.673 19.424 11.957 1.00 64.53 O HETATM 1858 O4 A2G A 119 24.581 19.262 11.882 1.00 52.43 O HETATM 1859 O6 A2G A 119 26.707 22.894 13.099 1.00 31.22 O HETATM 1860 O7 A2G A 119 21.437 19.031 8.742 1.00 52.41 O HETATM 1861 N2 A2G A 119 21.391 21.128 9.657 1.00 73.24 N HETATM 0 HO3 A2G A 119 21.577 19.170 12.899 1.00 64.53 H new HETATM 0 HN2 A2G A 119 20.849 21.988 9.740 1.00 73.24 H new HETATM 0 H8B A2G A 119 18.800 20.647 8.879 1.00 73.13 H new HETATM 0 H8A A2G A 119 19.709 21.291 7.491 1.00 73.13 H new HETATM 0 H8 A2G A 119 19.274 19.566 7.547 1.00 73.13 H new HETATM 0 H6 A2G A 119 26.823 21.025 12.213 1.00 61.21 H new HETATM 0 H5 A2G A 119 24.235 22.344 13.003 1.00 4.44 H new HETATM 0 H4 A2G A 119 23.767 20.193 13.611 1.00 13.41 H new HETATM 0 H3 A2G A 119 21.967 21.394 12.393 1.00 45.24 H new HETATM 0 H2 A2G A 119 23.230 20.255 9.873 1.00 21.35 H new HETATM 0 H15 A2G A 119 27.621 22.838 13.447 1.00 31.22 H new HETATM 0 H14 A2G A 119 26.202 21.031 13.852 1.00 61.21 H new HETATM 1875 C1 A2G A 120 25.203 18.265 12.792 1.00 41.54 C HETATM 1876 C2 A2G A 120 26.425 17.643 12.100 1.00 65.23 C HETATM 1877 C3 A2G A 120 25.952 16.968 10.799 1.00 24.30 C HETATM 1878 C4 A2G A 120 24.910 15.810 11.124 1.00 71.23 C HETATM 1879 C5 A2G A 120 23.787 16.355 11.982 1.00 14.33 C HETATM 1880 C6 A2G A 120 22.724 15.352 12.453 1.00 1.35 C HETATM 1881 C7 A2G A 120 28.293 19.108 12.888 1.00 12.11 C HETATM 1882 C8 A2G A 120 29.385 20.102 12.452 1.00 41.30 C HETATM 1883 O A2G A 120 24.276 17.162 13.135 1.00 14.02 O HETATM 1884 O3 A2G A 120 27.063 16.478 10.041 1.00 63.55 O HETATM 1885 O4 A2G A 120 25.606 14.760 11.888 1.00 11.23 O HETATM 1886 O6 A2G A 120 21.558 16.034 12.923 1.00 55.21 O HETATM 1887 O7 A2G A 120 28.198 18.758 14.053 1.00 71.43 O HETATM 1888 N2 A2G A 120 27.476 18.646 11.884 1.00 42.44 N HETATM 0 HN2 A2G A 120 27.606 19.018 10.943 1.00 42.44 H new HETATM 0 H8B A2G A 120 30.038 19.627 11.720 1.00 41.30 H new HETATM 0 H8A A2G A 120 28.920 20.981 12.007 1.00 41.30 H new HETATM 0 H8 A2G A 120 29.971 20.402 13.320 1.00 41.30 H new HETATM 0 H6 A2G A 120 23.132 14.729 13.249 1.00 1.35 H new HETATM 0 H5 A2G A 120 23.268 17.003 11.275 1.00 14.33 H new HETATM 0 H4 A2G A 120 24.503 15.414 10.194 1.00 71.23 H new HETATM 0 H3 A2G A 120 25.446 17.714 10.186 1.00 24.30 H new HETATM 0 H2 A2G A 120 26.879 16.882 12.734 1.00 65.23 H new HETATM 0 H15 A2G A 120 21.817 16.897 13.308 1.00 55.21 H new HETATM 0 H14 A2G A 120 22.456 14.686 11.632 1.00 1.35 H new HETATM 1901 C1 A2G A 121 25.225 13.365 11.549 1.00 71.34 C HETATM 1902 C2 A2G A 121 25.454 12.465 12.771 1.00 13.15 C HETATM 1903 C3 A2G A 121 26.945 12.540 13.152 1.00 5.54 C HETATM 1904 C4 A2G A 121 27.850 12.010 11.956 1.00 72.51 C HETATM 1905 C5 A2G A 121 27.499 12.747 10.681 1.00 64.33 C HETATM 1906 C6 A2G A 121 28.228 12.309 9.403 1.00 24.04 C HETATM 1907 C7 A2G A 121 23.296 12.301 14.025 1.00 64.41 C HETATM 1908 C8 A2G A 121 22.457 12.896 15.171 1.00 63.24 C HETATM 1909 O A2G A 121 26.031 12.816 10.433 1.00 23.54 O HETATM 1910 O3 A2G A 121 27.203 11.824 14.365 1.00 72.33 O HETATM 1911 O4 A2G A 121 27.562 10.578 11.755 1.00 74.12 O HETATM 1912 O6 A2G A 121 27.377 11.499 8.585 1.00 15.14 O HETATM 1913 O7 A2G A 121 22.852 11.403 13.328 1.00 0.40 O HETATM 1914 N2 A2G A 121 24.555 12.832 13.874 1.00 43.11 N HETATM 0 HO3 A2G A 121 28.156 11.885 14.585 1.00 72.33 H new HETATM 0 HN2 A2G A 121 24.881 13.513 14.560 1.00 43.11 H new HETATM 0 H8B A2G A 121 22.972 12.738 16.119 1.00 63.24 H new HETATM 0 H8A A2G A 121 22.321 13.965 15.005 1.00 63.24 H new HETATM 0 H8 A2G A 121 21.483 12.407 15.201 1.00 63.24 H new HETATM 0 H6 A2G A 121 29.127 11.751 9.665 1.00 24.04 H new HETATM 0 H5 A2G A 121 27.881 13.745 10.896 1.00 64.33 H new HETATM 0 H4 A2G A 121 28.901 12.170 12.195 1.00 72.51 H new HETATM 0 H3 A2G A 121 27.204 13.583 13.332 1.00 5.54 H new HETATM 0 H2 A2G A 121 25.212 11.429 12.535 1.00 13.15 H new HETATM 0 H15 A2G A 121 26.531 11.338 9.052 1.00 15.14 H new HETATM 0 H14 A2G A 121 28.550 13.187 8.843 1.00 24.04 H new HETATM 1928 C1 A2G A 122 28.748 9.685 11.740 1.00 33.11 C HETATM 1929 C2 A2G A 122 28.369 8.351 11.078 1.00 3.22 C HETATM 1930 C3 A2G A 122 27.225 7.717 11.891 1.00 33.30 C HETATM 1931 C4 A2G A 122 27.699 7.426 13.381 1.00 34.15 C HETATM 1932 C5 A2G A 122 28.268 8.688 13.995 1.00 61.10 C HETATM 1933 C6 A2G A 122 28.843 8.570 15.413 1.00 10.44 C HETATM 1934 C7 A2G A 122 28.977 8.503 8.657 1.00 63.01 C HETATM 1935 C8 A2G A 122 28.445 8.779 7.237 1.00 34.33 C HETATM 1936 O A2G A 122 29.241 9.380 13.105 1.00 44.41 O HETATM 1937 O3 A2G A 122 26.738 6.533 11.252 1.00 71.51 O HETATM 1938 O4 A2G A 122 28.768 6.412 13.338 1.00 21.21 O HETATM 1939 O6 A2G A 122 29.981 7.702 15.428 1.00 1.03 O HETATM 1940 O7 A2G A 122 30.155 8.248 8.842 1.00 13.35 O HETATM 1941 N2 A2G A 122 28.038 8.542 9.659 1.00 55.32 N HETATM 0 HO4 A2G A 122 29.424 6.598 14.042 1.00 21.21 H new HETATM 0 HO3 A2G A 122 26.013 6.147 11.787 1.00 71.51 H new HETATM 0 HN2 A2G A 122 27.065 8.712 9.406 1.00 55.32 H new HETATM 0 H8B A2G A 122 27.691 8.035 6.980 1.00 34.33 H new HETATM 0 H8A A2G A 122 28.000 9.773 7.202 1.00 34.33 H new HETATM 0 H8 A2G A 122 29.267 8.724 6.523 1.00 34.33 H new HETATM 0 H6 A2G A 122 28.079 8.187 16.090 1.00 10.44 H new HETATM 0 H5 A2G A 122 27.372 9.300 14.104 1.00 61.10 H new HETATM 0 H4 A2G A 122 26.852 7.079 13.973 1.00 34.15 H new HETATM 0 H3 A2G A 122 26.397 8.425 11.935 1.00 33.30 H new HETATM 0 H2 A2G A 122 29.215 7.664 11.086 1.00 3.22 H new HETATM 0 H15 A2G A 122 30.334 7.641 16.340 1.00 1.03 H new HETATM 0 H14 A2G A 122 29.127 9.557 15.778 1.00 10.44 H new HETATM 1955 C2 BGC A 123 28.150 16.402 7.849 1.00 11.01 C HETATM 1956 C3 BGC A 123 28.126 15.840 6.411 1.00 14.34 C HETATM 1957 C4 BGC A 123 27.461 14.454 6.325 1.00 70.31 C HETATM 1958 C5 BGC A 123 26.089 14.454 7.021 1.00 74.33 C HETATM 1959 C6 BGC A 123 25.358 13.104 7.027 1.00 1.51 C HETATM 1960 C1 BGC A 123 26.825 16.211 8.615 1.00 22.13 C HETATM 1961 O2 BGC A 123 28.410 17.815 7.773 1.00 24.41 O HETATM 1962 O3 BGC A 123 29.489 15.713 5.967 1.00 22.12 O HETATM 1963 O4 BGC A 123 27.260 14.135 4.937 1.00 41.04 O HETATM 1964 O5 BGC A 123 26.326 14.833 8.428 1.00 2.42 O HETATM 1965 O6 BGC A 123 26.065 12.196 6.170 1.00 41.13 O HETATM 0 H6C2 BGC A 123 25.308 12.706 8.040 1.00 1.51 H new HETATM 0 H6C1 BGC A 123 24.332 13.228 6.682 1.00 1.51 H new HETATM 0 HD BGC A 123 26.761 13.295 4.863 1.00 41.04 H new HETATM 0 HC BGC A 123 29.504 15.356 5.055 1.00 22.12 H new HETATM 0 HB BGC A 123 28.428 18.193 8.677 1.00 24.41 H new HETATM 0 H6 BGC A 123 26.715 11.687 6.698 1.00 41.13 H new HETATM 0 H5 BGC A 123 25.453 15.142 6.464 1.00 74.33 H new HETATM 0 H4 BGC A 123 28.106 13.725 6.816 1.00 70.31 H new HETATM 0 H3 BGC A 123 27.545 16.523 5.791 1.00 14.34 H new HETATM 0 H2 BGC A 123 28.921 15.853 8.390 1.00 11.01 H new