USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=42 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 18:sc= -1.9! USER MOD Set 1.2: A 123 BGC O6 : rot -151:sc= 0.781 USER MOD Set 2.1: A 119 A2G O3 : rot 180:sc= 0 USER MOD Set 2.2: A 120 A2G O6 : rot 180:sc= 0 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 113 HIS : no HD1:sc= -0.0675 K(o=-0.25,f=-1.8) USER MOD Set 4.2: A 115 HIS : no HD1:sc= -0.18 X(o=-0.25,f=-0.093) USER MOD Set 5.1: A 9 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 88 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 7 GLN :FLIP amide:sc= 0.619 F(o=-1.1,f=1.3) USER MOD Set 6.2: A 68 THR OG1 : rot -106:sc= 0.718 USER MOD Single : A 1 ASP N :NH3+ 146:sc= -0.732 (180deg=-1.77) USER MOD Single : A 5 LYS NZ :NH3+ -148:sc= 0.677 (180deg=-0.524) USER MOD Single : A 14 ASN : amide:sc= -1.15 K(o=-1.1,f=-4.4!) USER MOD Single : A 15 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.349) 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 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.407 X(o=-0.41,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0252 USER MOD Single : A 34 GLN :FLIP amide:sc= -2.09 F(o=-2.8,f=-2.1) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0755 USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 0.401 (180deg=0.295) USER MOD Single : A 44 SER OG : rot -58:sc= 0.547 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 51 SER OG : rot 180:sc= 0 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) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 18:sc= 0.258 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 117:sc= -0.301 USER MOD Single : A 67 HIS : no HE2:sc= -2.37 X(o=-2.4,f=-2.1) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -58:sc= -0.951 USER MOD Single : A 100 THR OG1 : rot -71:sc= -0.625 USER MOD Single : A 101 ASN : amide:sc= -0.0698 K(o=-0.07,f=-1.4) USER MOD Single : A 103 ASN : amide:sc= -3.13 K(o=-3.1,f=-4!) USER MOD Single : A 106 TYR OH : rot 30:sc= -0.924 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= -0.056 X(o=-0.056,f=-0.07) USER MOD Single : A 112 HIS : no HD1:sc= -0.062 X(o=-0.062,f=-0.23) USER MOD Single : A 114 HIS : no HD1:sc= -0.0187 X(o=-0.019,f=-0.16) USER MOD Single : A 116 HIS : no HD1:sc= -0.16 X(o=-0.16,f=-0.0055) USER MOD Single : A 118 A2G O6 : rot -11:sc= -0.1 USER MOD Single : A 121 A2G O3 : rot 180:sc= 0 USER MOD Single : A 122 A2G O3 : rot 180:sc= 0 USER MOD Single : A 122 A2G O4 : rot 88:sc=-0.00353 USER MOD Single : A 122 A2G O6 : rot 180:sc= 0 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 -170:sc= 0.962 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 2.161 -0.980 -2.228 1.00 63.41 N ATOM 2 CA ASP A 1 2.684 -0.214 -1.103 1.00 64.30 C ATOM 3 C ASP A 1 3.039 1.206 -1.530 1.00 54.21 C ATOM 4 O ASP A 1 3.311 1.463 -2.703 1.00 0.34 O ATOM 5 CB ASP A 1 3.915 -0.906 -0.514 1.00 52.12 C ATOM 6 CG ASP A 1 5.110 -0.852 -1.446 1.00 13.44 C ATOM 7 OD1 ASP A 1 5.120 -1.605 -2.443 1.00 24.41 O ATOM 8 OD2 ASP A 1 6.033 -0.055 -1.180 1.00 11.10 O ATOM 0 H1 ASP A 1 2.453 -1.974 -2.137 1.00 63.41 H new ATOM 0 H2 ASP A 1 1.123 -0.924 -2.234 1.00 63.41 H new ATOM 0 H3 ASP A 1 2.534 -0.590 -3.117 1.00 63.41 H new ATOM 0 HA ASP A 1 1.907 -0.161 -0.340 1.00 64.30 H new ATOM 0 HB2 ASP A 1 4.175 -0.434 0.434 1.00 52.12 H new ATOM 0 HB3 ASP A 1 3.674 -1.947 -0.296 1.00 52.12 H new ATOM 13 N VAL A 2 3.033 2.127 -0.571 1.00 20.43 N ATOM 14 CA VAL A 2 3.354 3.522 -0.848 1.00 12.03 C ATOM 15 C VAL A 2 4.611 3.955 -0.102 1.00 53.13 C ATOM 16 O VAL A 2 4.948 3.397 0.942 1.00 22.00 O ATOM 17 CB VAL A 2 2.191 4.454 -0.458 1.00 44.14 C ATOM 18 CG1 VAL A 2 2.106 4.596 1.054 1.00 4.23 C ATOM 19 CG2 VAL A 2 2.353 5.813 -1.121 1.00 14.31 C ATOM 0 H VAL A 2 2.809 1.932 0.405 1.00 20.43 H new ATOM 0 HA VAL A 2 3.527 3.600 -1.921 1.00 12.03 H new ATOM 0 HB VAL A 2 1.259 4.012 -0.811 1.00 44.14 H new ATOM 0 HG11 VAL A 2 1.279 5.258 1.311 1.00 4.23 H new ATOM 0 HG12 VAL A 2 1.940 3.617 1.503 1.00 4.23 H new ATOM 0 HG13 VAL A 2 3.038 5.016 1.433 1.00 4.23 H new ATOM 0 HG21 VAL A 2 1.523 6.459 -0.835 1.00 14.31 H new ATOM 0 HG22 VAL A 2 3.292 6.265 -0.800 1.00 14.31 H new ATOM 0 HG23 VAL A 2 2.361 5.691 -2.204 1.00 14.31 H new ATOM 29 N ILE A 3 5.300 4.953 -0.645 1.00 44.31 N ATOM 30 CA ILE A 3 6.519 5.462 -0.028 1.00 53.54 C ATOM 31 C ILE A 3 6.367 6.928 0.363 1.00 55.13 C ATOM 32 O ILE A 3 5.781 7.720 -0.376 1.00 41.21 O ATOM 33 CB ILE A 3 7.728 5.318 -0.972 1.00 65.32 C ATOM 34 CG1 ILE A 3 7.774 3.909 -1.567 1.00 52.21 C ATOM 35 CG2 ILE A 3 9.019 5.626 -0.229 1.00 25.04 C ATOM 36 CD1 ILE A 3 9.030 3.629 -2.362 1.00 3.32 C ATOM 0 H ILE A 3 5.035 5.425 -1.510 1.00 44.31 H new ATOM 0 HA ILE A 3 6.693 4.866 0.868 1.00 53.54 H new ATOM 0 HB ILE A 3 7.620 6.033 -1.787 1.00 65.32 H new ATOM 0 HG12 ILE A 3 7.694 3.180 -0.760 1.00 52.21 H new ATOM 0 HG13 ILE A 3 6.907 3.767 -2.212 1.00 52.21 H new ATOM 0 HG21 ILE A 3 9.864 5.520 -0.909 1.00 25.04 H new ATOM 0 HG22 ILE A 3 8.985 6.647 0.152 1.00 25.04 H new ATOM 0 HG23 ILE A 3 9.134 4.932 0.604 1.00 25.04 H new ATOM 0 HD11 ILE A 3 8.994 2.612 -2.754 1.00 3.32 H new ATOM 0 HD12 ILE A 3 9.101 4.334 -3.190 1.00 3.32 H new ATOM 0 HD13 ILE A 3 9.901 3.738 -1.716 1.00 3.32 H new ATOM 48 N ILE A 4 6.898 7.282 1.528 1.00 22.33 N ATOM 49 CA ILE A 4 6.823 8.653 2.016 1.00 21.14 C ATOM 50 C ILE A 4 8.137 9.391 1.787 1.00 52.33 C ATOM 51 O ILE A 4 9.160 9.064 2.389 1.00 21.52 O ATOM 52 CB ILE A 4 6.478 8.698 3.517 1.00 40.14 C ATOM 53 CG1 ILE A 4 4.994 8.391 3.730 1.00 0.01 C ATOM 54 CG2 ILE A 4 6.833 10.057 4.101 1.00 30.15 C ATOM 55 CD1 ILE A 4 4.544 8.553 5.165 1.00 64.42 C ATOM 0 H ILE A 4 7.385 6.638 2.152 1.00 22.33 H new ATOM 0 HA ILE A 4 6.030 9.145 1.453 1.00 21.14 H new ATOM 0 HB ILE A 4 7.065 7.938 4.033 1.00 40.14 H new ATOM 0 HG12 ILE A 4 4.400 9.049 3.095 1.00 0.01 H new ATOM 0 HG13 ILE A 4 4.793 7.369 3.408 1.00 0.01 H new ATOM 0 HG21 ILE A 4 6.584 10.074 5.162 1.00 30.15 H new ATOM 0 HG22 ILE A 4 7.900 10.239 3.976 1.00 30.15 H new ATOM 0 HG23 ILE A 4 6.270 10.834 3.584 1.00 30.15 H new ATOM 0 HD11 ILE A 4 3.482 8.319 5.242 1.00 64.42 H new ATOM 0 HD12 ILE A 4 5.112 7.876 5.803 1.00 64.42 H new ATOM 0 HD13 ILE A 4 4.713 9.581 5.486 1.00 64.42 H new ATOM 67 N LYS A 5 8.104 10.390 0.912 1.00 14.32 N ATOM 68 CA LYS A 5 9.290 11.178 0.603 1.00 42.30 C ATOM 69 C LYS A 5 8.978 12.671 0.643 1.00 52.50 C ATOM 70 O LYS A 5 7.820 13.088 0.616 1.00 54.30 O ATOM 71 CB LYS A 5 9.836 10.798 -0.775 1.00 72.24 C ATOM 72 CG LYS A 5 8.784 10.228 -1.711 1.00 63.51 C ATOM 73 CD LYS A 5 8.755 8.709 -1.657 1.00 52.25 C ATOM 74 CE LYS A 5 9.972 8.105 -2.341 1.00 41.13 C ATOM 75 NZ LYS A 5 10.068 8.517 -3.769 1.00 24.23 N ATOM 0 H LYS A 5 7.266 10.673 0.403 1.00 14.32 H new ATOM 0 HA LYS A 5 10.045 10.962 1.359 1.00 42.30 H new ATOM 0 HB2 LYS A 5 10.281 11.680 -1.236 1.00 72.24 H new ATOM 0 HB3 LYS A 5 10.634 10.066 -0.651 1.00 72.24 H new ATOM 0 HG2 LYS A 5 7.804 10.622 -1.441 1.00 63.51 H new ATOM 0 HG3 LYS A 5 8.988 10.553 -2.731 1.00 63.51 H new ATOM 0 HD2 LYS A 5 8.720 8.381 -0.618 1.00 52.25 H new ATOM 0 HD3 LYS A 5 7.847 8.344 -2.137 1.00 52.25 H new ATOM 0 HE2 LYS A 5 10.875 8.412 -1.813 1.00 41.13 H new ATOM 0 HE3 LYS A 5 9.921 7.018 -2.279 1.00 41.13 H new ATOM 0 HZ1 LYS A 5 10.503 7.752 -4.323 1.00 24.23 H new ATOM 0 HZ2 LYS A 5 9.116 8.714 -4.138 1.00 24.23 H new ATOM 0 HZ3 LYS A 5 10.652 9.374 -3.845 1.00 24.23 H new ATOM 89 N PRO A 6 10.033 13.496 0.708 1.00 42.22 N ATOM 90 CA PRO A 6 9.897 14.954 0.750 1.00 22.05 C ATOM 91 C PRO A 6 9.404 15.530 -0.573 1.00 5.32 C ATOM 92 O PRO A 6 9.024 14.789 -1.478 1.00 71.21 O ATOM 93 CB PRO A 6 11.320 15.436 1.047 1.00 54.23 C ATOM 94 CG PRO A 6 12.201 14.349 0.535 1.00 62.04 C ATOM 95 CD PRO A 6 11.442 13.067 0.743 1.00 10.50 C ATOM 0 HA PRO A 6 9.162 15.273 1.489 1.00 22.05 H new ATOM 0 HB2 PRO A 6 11.529 16.383 0.550 1.00 54.23 H new ATOM 0 HB3 PRO A 6 11.469 15.597 2.115 1.00 54.23 H new ATOM 0 HG2 PRO A 6 12.432 14.499 -0.520 1.00 62.04 H new ATOM 0 HG3 PRO A 6 13.150 14.332 1.070 1.00 62.04 H new ATOM 0 HD2 PRO A 6 11.660 12.339 -0.039 1.00 10.50 H new ATOM 0 HD3 PRO A 6 11.696 12.599 1.694 1.00 10.50 H new ATOM 103 N GLN A 7 9.416 16.855 -0.677 1.00 12.03 N ATOM 104 CA GLN A 7 8.970 17.529 -1.891 1.00 32.44 C ATOM 105 C GLN A 7 10.093 18.365 -2.494 1.00 52.22 C ATOM 106 O GLN A 7 9.917 19.007 -3.530 1.00 33.13 O ATOM 107 CB GLN A 7 7.760 18.417 -1.591 1.00 72.21 C ATOM 108 CG GLN A 7 7.866 19.162 -0.271 1.00 31.14 C ATOM 109 CD GLN A 7 7.244 18.399 0.881 1.00 24.43 C ATOM 110 OE1 GLN A 7 8.078 17.947 1.811 1.00 62.11 O flip ATOM 111 NE2 GLN A 7 6.027 18.217 0.936 1.00 0.31 N flip ATOM 0 H GLN A 7 9.729 17.482 0.064 1.00 12.03 H new ATOM 0 HA GLN A 7 8.682 16.767 -2.615 1.00 32.44 H new ATOM 0 HB2 GLN A 7 7.641 19.140 -2.398 1.00 72.21 H new ATOM 0 HB3 GLN A 7 6.861 17.801 -1.580 1.00 72.21 H new ATOM 0 HG2 GLN A 7 8.916 19.354 -0.050 1.00 31.14 H new ATOM 0 HG3 GLN A 7 7.378 20.132 -0.365 1.00 31.14 H new ATOM 0 HE21 GLN A 7 5.423 18.582 0.200 1.00 0.31 H new ATOM 0 HE22 GLN A 7 5.623 17.701 1.718 1.00 0.31 H new ATOM 120 N VAL A 8 11.249 18.354 -1.839 1.00 64.32 N ATOM 121 CA VAL A 8 12.403 19.111 -2.310 1.00 52.23 C ATOM 122 C VAL A 8 13.706 18.489 -1.819 1.00 14.44 C ATOM 123 O VAL A 8 13.706 17.665 -0.906 1.00 62.31 O ATOM 124 CB VAL A 8 12.339 20.578 -1.845 1.00 51.35 C ATOM 125 CG1 VAL A 8 11.353 21.365 -2.696 1.00 1.43 C ATOM 126 CG2 VAL A 8 11.966 20.655 -0.374 1.00 25.43 C ATOM 0 H VAL A 8 11.412 17.829 -0.980 1.00 64.32 H new ATOM 0 HA VAL A 8 12.378 19.082 -3.399 1.00 52.23 H new ATOM 0 HB VAL A 8 13.326 21.024 -1.969 1.00 51.35 H new ATOM 0 HG11 VAL A 8 11.321 22.399 -2.353 1.00 1.43 H new ATOM 0 HG12 VAL A 8 11.670 21.338 -3.739 1.00 1.43 H new ATOM 0 HG13 VAL A 8 10.361 20.922 -2.607 1.00 1.43 H new ATOM 0 HG21 VAL A 8 11.926 21.699 -0.063 1.00 25.43 H new ATOM 0 HG22 VAL A 8 10.991 20.193 -0.221 1.00 25.43 H new ATOM 0 HG23 VAL A 8 12.714 20.129 0.219 1.00 25.43 H new ATOM 136 N SER A 9 14.814 18.893 -2.431 1.00 60.43 N ATOM 137 CA SER A 9 16.125 18.373 -2.059 1.00 13.32 C ATOM 138 C SER A 9 16.789 19.270 -1.019 1.00 1.54 C ATOM 139 O SER A 9 16.563 20.480 -0.990 1.00 31.51 O ATOM 140 CB SER A 9 17.020 18.256 -3.294 1.00 51.41 C ATOM 141 OG SER A 9 17.922 19.345 -3.376 1.00 43.33 O ATOM 0 H SER A 9 14.831 19.578 -3.186 1.00 60.43 H new ATOM 0 HA SER A 9 15.986 17.383 -1.625 1.00 13.32 H new ATOM 0 HB2 SER A 9 17.578 17.320 -3.255 1.00 51.41 H new ATOM 0 HB3 SER A 9 16.403 18.223 -4.192 1.00 51.41 H new ATOM 0 HG SER A 9 18.483 19.245 -4.173 1.00 43.33 H new ATOM 147 N GLY A 10 17.613 18.669 -0.166 1.00 32.31 N ATOM 148 CA GLY A 10 18.298 19.426 0.864 1.00 3.10 C ATOM 149 C GLY A 10 18.932 18.537 1.914 1.00 71.43 C ATOM 150 O GLY A 10 19.728 17.654 1.593 1.00 41.44 O ATOM 0 H GLY A 10 17.818 17.670 -0.171 1.00 32.31 H new ATOM 0 HA2 GLY A 10 19.068 20.045 0.404 1.00 3.10 H new ATOM 0 HA3 GLY A 10 17.591 20.102 1.344 1.00 3.10 H new ATOM 154 N VAL A 11 18.580 18.767 3.175 1.00 11.34 N ATOM 155 CA VAL A 11 19.120 17.979 4.276 1.00 3.30 C ATOM 156 C VAL A 11 18.071 17.758 5.360 1.00 70.40 C ATOM 157 O VAL A 11 17.317 18.668 5.704 1.00 13.04 O ATOM 158 CB VAL A 11 20.352 18.661 4.902 1.00 61.34 C ATOM 159 CG1 VAL A 11 21.001 17.749 5.932 1.00 72.54 C ATOM 160 CG2 VAL A 11 21.349 19.052 3.821 1.00 2.44 C ATOM 0 H VAL A 11 17.923 19.493 3.459 1.00 11.34 H new ATOM 0 HA VAL A 11 19.418 17.016 3.860 1.00 3.30 H new ATOM 0 HB VAL A 11 20.026 19.568 5.410 1.00 61.34 H new ATOM 0 HG11 VAL A 11 21.869 18.247 6.363 1.00 72.54 H new ATOM 0 HG12 VAL A 11 20.284 17.522 6.721 1.00 72.54 H new ATOM 0 HG13 VAL A 11 21.316 16.823 5.451 1.00 72.54 H new ATOM 0 HG21 VAL A 11 22.213 19.532 4.280 1.00 2.44 H new ATOM 0 HG22 VAL A 11 21.672 18.160 3.284 1.00 2.44 H new ATOM 0 HG23 VAL A 11 20.877 19.744 3.124 1.00 2.44 H new ATOM 170 N ILE A 12 18.029 16.542 5.896 1.00 14.52 N ATOM 171 CA ILE A 12 17.073 16.201 6.941 1.00 3.33 C ATOM 172 C ILE A 12 17.246 17.104 8.159 1.00 35.52 C ATOM 173 O ILE A 12 18.364 17.468 8.521 1.00 64.41 O ATOM 174 CB ILE A 12 17.218 14.732 7.380 1.00 42.41 C ATOM 175 CG1 ILE A 12 16.809 13.794 6.243 1.00 14.12 C ATOM 176 CG2 ILE A 12 16.381 14.465 8.622 1.00 42.50 C ATOM 177 CD1 ILE A 12 15.326 13.823 5.941 1.00 2.40 C ATOM 0 H ILE A 12 18.646 15.777 5.623 1.00 14.52 H new ATOM 0 HA ILE A 12 16.079 16.348 6.520 1.00 3.33 H new ATOM 0 HB ILE A 12 18.264 14.543 7.623 1.00 42.41 H new ATOM 0 HG12 ILE A 12 17.361 14.065 5.343 1.00 14.12 H new ATOM 0 HG13 ILE A 12 17.100 12.775 6.500 1.00 14.12 H new ATOM 0 HG21 ILE A 12 16.494 13.423 8.920 1.00 42.50 H new ATOM 0 HG22 ILE A 12 16.716 15.112 9.433 1.00 42.50 H new ATOM 0 HG23 ILE A 12 15.332 14.669 8.405 1.00 42.50 H new ATOM 0 HD11 ILE A 12 15.107 13.134 5.125 1.00 2.40 H new ATOM 0 HD12 ILE A 12 14.768 13.523 6.828 1.00 2.40 H new ATOM 0 HD13 ILE A 12 15.033 14.832 5.652 1.00 2.40 H new ATOM 189 N VAL A 13 16.129 17.460 8.788 1.00 44.45 N ATOM 190 CA VAL A 13 16.158 18.317 9.967 1.00 52.10 C ATOM 191 C VAL A 13 15.693 17.561 11.207 1.00 70.22 C ATOM 192 O VAL A 13 16.151 17.828 12.317 1.00 20.00 O ATOM 193 CB VAL A 13 15.271 19.561 9.776 1.00 3.55 C ATOM 194 CG1 VAL A 13 15.681 20.663 10.743 1.00 64.45 C ATOM 195 CG2 VAL A 13 15.342 20.051 8.338 1.00 60.23 C ATOM 0 H VAL A 13 15.195 17.168 8.501 1.00 44.45 H new ATOM 0 HA VAL A 13 17.192 18.633 10.104 1.00 52.10 H new ATOM 0 HB VAL A 13 14.239 19.285 9.992 1.00 3.55 H new ATOM 0 HG11 VAL A 13 15.043 21.534 10.593 1.00 64.45 H new ATOM 0 HG12 VAL A 13 15.574 20.306 11.767 1.00 64.45 H new ATOM 0 HG13 VAL A 13 16.720 20.938 10.561 1.00 64.45 H new ATOM 0 HG21 VAL A 13 14.709 20.931 8.222 1.00 60.23 H new ATOM 0 HG22 VAL A 13 16.372 20.310 8.092 1.00 60.23 H new ATOM 0 HG23 VAL A 13 14.996 19.264 7.668 1.00 60.23 H new ATOM 205 N ASN A 14 14.781 16.614 11.009 1.00 1.42 N ATOM 206 CA ASN A 14 14.254 15.818 12.112 1.00 44.32 C ATOM 207 C ASN A 14 13.317 14.731 11.598 1.00 34.14 C ATOM 208 O ASN A 14 12.970 14.702 10.417 1.00 31.51 O ATOM 209 CB ASN A 14 13.517 16.715 13.109 1.00 51.20 C ATOM 210 CG ASN A 14 13.440 16.100 14.492 1.00 2.13 C ATOM 211 OD1 ASN A 14 14.157 15.149 14.801 1.00 61.32 O ATOM 212 ND2 ASN A 14 12.567 16.643 15.333 1.00 24.12 N ATOM 0 H ASN A 14 14.392 16.379 10.096 1.00 1.42 H new ATOM 0 HA ASN A 14 15.093 15.340 12.617 1.00 44.32 H new ATOM 0 HB2 ASN A 14 14.024 17.678 13.170 1.00 51.20 H new ATOM 0 HB3 ASN A 14 12.508 16.908 12.743 1.00 51.20 H new ATOM 0 HD21 ASN A 14 12.471 16.272 16.278 1.00 24.12 H new ATOM 0 HD22 ASN A 14 11.993 17.431 15.034 1.00 24.12 H new ATOM 219 N LYS A 15 12.907 13.839 12.494 1.00 73.03 N ATOM 220 CA LYS A 15 12.008 12.749 12.133 1.00 14.14 C ATOM 221 C LYS A 15 10.955 12.533 13.215 1.00 64.42 C ATOM 222 O LYS A 15 11.201 11.839 14.204 1.00 52.31 O ATOM 223 CB LYS A 15 12.800 11.459 11.910 1.00 35.15 C ATOM 224 CG LYS A 15 13.849 11.570 10.818 1.00 1.51 C ATOM 225 CD LYS A 15 15.225 11.176 11.326 1.00 43.31 C ATOM 226 CE LYS A 15 15.277 9.707 11.717 1.00 11.23 C ATOM 227 NZ LYS A 15 16.665 9.262 12.020 1.00 72.11 N ATOM 0 H LYS A 15 13.183 13.850 13.476 1.00 73.03 H new ATOM 0 HA LYS A 15 11.501 13.020 11.207 1.00 14.14 H new ATOM 0 HB2 LYS A 15 13.288 11.176 12.843 1.00 35.15 H new ATOM 0 HB3 LYS A 15 12.107 10.657 11.656 1.00 35.15 H new ATOM 0 HG2 LYS A 15 13.572 10.930 9.980 1.00 1.51 H new ATOM 0 HG3 LYS A 15 13.878 12.593 10.442 1.00 1.51 H new ATOM 0 HD2 LYS A 15 15.969 11.375 10.555 1.00 43.31 H new ATOM 0 HD3 LYS A 15 15.486 11.792 12.187 1.00 43.31 H new ATOM 0 HE2 LYS A 15 14.644 9.541 12.589 1.00 11.23 H new ATOM 0 HE3 LYS A 15 14.870 9.101 10.907 1.00 11.23 H new ATOM 0 HZ1 LYS A 15 16.785 8.272 11.723 1.00 72.11 H new ATOM 0 HZ2 LYS A 15 17.342 9.862 11.506 1.00 72.11 H new ATOM 0 HZ3 LYS A 15 16.839 9.340 13.042 1.00 72.11 H new ATOM 241 N LEU A 16 9.783 13.127 13.023 1.00 53.01 N ATOM 242 CA LEU A 16 8.692 12.996 13.982 1.00 1.44 C ATOM 243 C LEU A 16 7.829 11.780 13.665 1.00 20.33 C ATOM 244 O LEU A 16 6.631 11.904 13.409 1.00 5.22 O ATOM 245 CB LEU A 16 7.831 14.261 13.981 1.00 52.31 C ATOM 246 CG LEU A 16 8.570 15.576 13.730 1.00 1.32 C ATOM 247 CD1 LEU A 16 7.596 16.743 13.723 1.00 73.14 C ATOM 248 CD2 LEU A 16 9.651 15.788 14.780 1.00 44.21 C ATOM 0 H LEU A 16 9.564 13.705 12.211 1.00 53.01 H new ATOM 0 HA LEU A 16 9.127 12.860 14.972 1.00 1.44 H new ATOM 0 HB2 LEU A 16 7.059 14.150 13.220 1.00 52.31 H new ATOM 0 HB3 LEU A 16 7.323 14.331 14.943 1.00 52.31 H new ATOM 0 HG LEU A 16 9.047 15.522 12.751 1.00 1.32 H new ATOM 0 HD11 LEU A 16 8.140 17.670 13.543 1.00 73.14 H new ATOM 0 HD12 LEU A 16 6.858 16.596 12.934 1.00 73.14 H new ATOM 0 HD13 LEU A 16 7.090 16.801 14.687 1.00 73.14 H new ATOM 0 HD21 LEU A 16 10.167 16.728 14.586 1.00 44.21 H new ATOM 0 HD22 LEU A 16 9.195 15.821 15.770 1.00 44.21 H new ATOM 0 HD23 LEU A 16 10.366 14.966 14.737 1.00 44.21 H new ATOM 260 N PHE A 17 8.446 10.603 13.685 1.00 73.31 N ATOM 261 CA PHE A 17 7.734 9.362 13.400 1.00 22.42 C ATOM 262 C PHE A 17 8.359 8.191 14.152 1.00 25.41 C ATOM 263 O PHE A 17 9.446 8.311 14.719 1.00 24.20 O ATOM 264 CB PHE A 17 7.740 9.079 11.896 1.00 44.32 C ATOM 265 CG PHE A 17 8.867 8.187 11.460 1.00 32.11 C ATOM 266 CD1 PHE A 17 10.174 8.647 11.461 1.00 22.43 C ATOM 267 CD2 PHE A 17 8.619 6.887 11.048 1.00 60.22 C ATOM 268 CE1 PHE A 17 11.212 7.828 11.059 1.00 0.54 C ATOM 269 CE2 PHE A 17 9.654 6.063 10.645 1.00 13.45 C ATOM 270 CZ PHE A 17 10.951 6.534 10.651 1.00 2.41 C ATOM 0 H PHE A 17 9.437 10.482 13.895 1.00 73.31 H new ATOM 0 HA PHE A 17 6.704 9.478 13.736 1.00 22.42 H new ATOM 0 HB2 PHE A 17 6.793 8.617 11.617 1.00 44.32 H new ATOM 0 HB3 PHE A 17 7.805 10.024 11.357 1.00 44.32 H new ATOM 0 HD1 PHE A 17 10.384 9.657 11.780 1.00 22.43 H new ATOM 0 HD2 PHE A 17 7.606 6.513 11.042 1.00 60.22 H new ATOM 0 HE1 PHE A 17 12.226 8.199 11.064 1.00 0.54 H new ATOM 0 HE2 PHE A 17 9.447 5.052 10.326 1.00 13.45 H new ATOM 0 HZ PHE A 17 11.761 5.892 10.337 1.00 2.41 H new ATOM 280 N LYS A 18 7.665 7.058 14.154 1.00 3.22 N ATOM 281 CA LYS A 18 8.150 5.863 14.835 1.00 10.32 C ATOM 282 C LYS A 18 8.117 4.656 13.905 1.00 51.05 C ATOM 283 O LYS A 18 7.381 4.640 12.918 1.00 42.32 O ATOM 284 CB LYS A 18 7.307 5.584 16.082 1.00 42.43 C ATOM 285 CG LYS A 18 7.679 6.450 17.273 1.00 21.22 C ATOM 286 CD LYS A 18 8.841 5.859 18.052 1.00 71.33 C ATOM 287 CE LYS A 18 9.441 6.871 19.015 1.00 13.14 C ATOM 288 NZ LYS A 18 10.859 6.557 19.339 1.00 41.20 N ATOM 0 H LYS A 18 6.764 6.942 13.691 1.00 3.22 H new ATOM 0 HA LYS A 18 9.183 6.040 15.135 1.00 10.32 H new ATOM 0 HB2 LYS A 18 6.255 5.742 15.842 1.00 42.43 H new ATOM 0 HB3 LYS A 18 7.417 4.535 16.358 1.00 42.43 H new ATOM 0 HG2 LYS A 18 7.942 7.450 16.928 1.00 21.22 H new ATOM 0 HG3 LYS A 18 6.816 6.556 17.930 1.00 21.22 H new ATOM 0 HD2 LYS A 18 8.501 4.985 18.607 1.00 71.33 H new ATOM 0 HD3 LYS A 18 9.609 5.517 17.358 1.00 71.33 H new ATOM 0 HE2 LYS A 18 9.381 7.868 18.578 1.00 13.14 H new ATOM 0 HE3 LYS A 18 8.854 6.890 19.934 1.00 13.14 H new ATOM 0 HZ1 LYS A 18 11.231 7.271 19.998 1.00 41.20 H new ATOM 0 HZ2 LYS A 18 10.914 5.617 19.780 1.00 41.20 H new ATOM 0 HZ3 LYS A 18 11.424 6.564 18.466 1.00 41.20 H new ATOM 302 N ALA A 19 8.917 3.644 14.227 1.00 55.20 N ATOM 303 CA ALA A 19 8.976 2.431 13.421 1.00 20.53 C ATOM 304 C ALA A 19 7.921 1.423 13.868 1.00 24.04 C ATOM 305 O ALA A 19 8.052 0.799 14.920 1.00 25.34 O ATOM 306 CB ALA A 19 10.364 1.812 13.498 1.00 11.43 C ATOM 0 H ALA A 19 9.533 3.641 15.040 1.00 55.20 H new ATOM 0 HA ALA A 19 8.768 2.702 12.386 1.00 20.53 H new ATOM 0 HB1 ALA A 19 10.393 0.907 12.891 1.00 11.43 H new ATOM 0 HB2 ALA A 19 11.101 2.523 13.124 1.00 11.43 H new ATOM 0 HB3 ALA A 19 10.594 1.562 14.534 1.00 11.43 H new ATOM 312 N GLY A 20 6.876 1.271 13.062 1.00 34.45 N ATOM 313 CA GLY A 20 5.814 0.339 13.393 1.00 33.12 C ATOM 314 C GLY A 20 4.654 1.009 14.103 1.00 30.12 C ATOM 315 O GLY A 20 3.885 0.354 14.807 1.00 43.45 O ATOM 0 H GLY A 20 6.745 1.776 12.186 1.00 34.45 H new ATOM 0 HA2 GLY A 20 5.453 -0.134 12.480 1.00 33.12 H new ATOM 0 HA3 GLY A 20 6.214 -0.453 14.026 1.00 33.12 H new ATOM 319 N ASP A 21 4.528 2.319 13.920 1.00 51.31 N ATOM 320 CA ASP A 21 3.454 3.079 14.549 1.00 41.10 C ATOM 321 C ASP A 21 2.378 3.444 13.531 1.00 21.00 C ATOM 322 O ASP A 21 2.543 3.224 12.332 1.00 72.21 O ATOM 323 CB ASP A 21 4.011 4.347 15.198 1.00 24.40 C ATOM 324 CG ASP A 21 3.543 4.517 16.630 1.00 1.12 C ATOM 325 OD1 ASP A 21 3.466 3.502 17.354 1.00 3.42 O ATOM 326 OD2 ASP A 21 3.252 5.666 17.028 1.00 42.34 O ATOM 0 H ASP A 21 5.156 2.877 13.341 1.00 51.31 H new ATOM 0 HA ASP A 21 3.002 2.454 15.319 1.00 41.10 H new ATOM 0 HB2 ASP A 21 5.100 4.315 15.176 1.00 24.40 H new ATOM 0 HB3 ASP A 21 3.706 5.215 14.614 1.00 24.40 H new ATOM 331 N LYS A 22 1.276 4.003 14.019 1.00 75.34 N ATOM 332 CA LYS A 22 0.171 4.399 13.153 1.00 71.11 C ATOM 333 C LYS A 22 0.370 5.820 12.633 1.00 22.10 C ATOM 334 O LYS A 22 0.795 6.708 13.372 1.00 44.31 O ATOM 335 CB LYS A 22 -1.157 4.302 13.908 1.00 45.43 C ATOM 336 CG LYS A 22 -1.183 5.106 15.196 1.00 21.22 C ATOM 337 CD LYS A 22 -1.444 4.219 16.403 1.00 52.22 C ATOM 338 CE LYS A 22 -1.827 5.039 17.625 1.00 64.42 C ATOM 339 NZ LYS A 22 -1.788 4.226 18.872 1.00 31.43 N ATOM 0 H LYS A 22 1.124 4.192 15.010 1.00 75.34 H new ATOM 0 HA LYS A 22 0.148 3.719 12.302 1.00 71.11 H new ATOM 0 HB2 LYS A 22 -1.961 4.647 13.258 1.00 45.43 H new ATOM 0 HB3 LYS A 22 -1.359 3.256 14.138 1.00 45.43 H new ATOM 0 HG2 LYS A 22 -0.232 5.623 15.322 1.00 21.22 H new ATOM 0 HG3 LYS A 22 -1.956 5.872 15.132 1.00 21.22 H new ATOM 0 HD2 LYS A 22 -2.243 3.514 16.172 1.00 52.22 H new ATOM 0 HD3 LYS A 22 -0.553 3.631 16.623 1.00 52.22 H new ATOM 0 HE2 LYS A 22 -1.147 5.886 17.722 1.00 64.42 H new ATOM 0 HE3 LYS A 22 -2.828 5.448 17.489 1.00 64.42 H new ATOM 0 HZ1 LYS A 22 -2.055 4.820 19.682 1.00 31.43 H new ATOM 0 HZ2 LYS A 22 -2.455 3.432 18.790 1.00 31.43 H new ATOM 0 HZ3 LYS A 22 -0.826 3.857 19.016 1.00 31.43 H new ATOM 353 N VAL A 23 0.058 6.027 11.358 1.00 51.11 N ATOM 354 CA VAL A 23 0.200 7.341 10.740 1.00 23.51 C ATOM 355 C VAL A 23 -1.154 8.021 10.580 1.00 12.35 C ATOM 356 O VAL A 23 -2.201 7.384 10.697 1.00 62.41 O ATOM 357 CB VAL A 23 0.880 7.242 9.362 1.00 34.32 C ATOM 358 CG1 VAL A 23 1.586 8.546 9.020 1.00 33.33 C ATOM 359 CG2 VAL A 23 1.855 6.075 9.332 1.00 75.15 C ATOM 0 H VAL A 23 -0.295 5.302 10.733 1.00 51.11 H new ATOM 0 HA VAL A 23 0.826 7.938 11.403 1.00 23.51 H new ATOM 0 HB VAL A 23 0.112 7.064 8.609 1.00 34.32 H new ATOM 0 HG11 VAL A 23 2.061 8.457 8.043 1.00 33.33 H new ATOM 0 HG12 VAL A 23 0.859 9.358 8.998 1.00 33.33 H new ATOM 0 HG13 VAL A 23 2.344 8.758 9.774 1.00 33.33 H new ATOM 0 HG21 VAL A 23 2.326 6.020 8.351 1.00 75.15 H new ATOM 0 HG22 VAL A 23 2.620 6.220 10.095 1.00 75.15 H new ATOM 0 HG23 VAL A 23 1.318 5.147 9.529 1.00 75.15 H new ATOM 369 N LYS A 24 -1.128 9.322 10.310 1.00 24.01 N ATOM 370 CA LYS A 24 -2.353 10.092 10.131 1.00 33.02 C ATOM 371 C LYS A 24 -2.277 10.950 8.872 1.00 4.14 C ATOM 372 O LYS A 24 -1.202 11.402 8.481 1.00 42.34 O ATOM 373 CB LYS A 24 -2.606 10.979 11.352 1.00 4.45 C ATOM 374 CG LYS A 24 -3.518 12.159 11.068 1.00 34.23 C ATOM 375 CD LYS A 24 -4.957 11.714 10.860 1.00 54.14 C ATOM 376 CE LYS A 24 -5.683 12.619 9.876 1.00 21.22 C ATOM 377 NZ LYS A 24 -6.254 13.821 10.546 1.00 71.32 N ATOM 0 H LYS A 24 -0.271 9.866 10.210 1.00 24.01 H new ATOM 0 HA LYS A 24 -3.181 9.391 10.022 1.00 33.02 H new ATOM 0 HB2 LYS A 24 -3.045 10.374 12.145 1.00 4.45 H new ATOM 0 HB3 LYS A 24 -1.651 11.350 11.725 1.00 4.45 H new ATOM 0 HG2 LYS A 24 -3.471 12.865 11.897 1.00 34.23 H new ATOM 0 HG3 LYS A 24 -3.167 12.686 10.181 1.00 34.23 H new ATOM 0 HD2 LYS A 24 -4.972 10.688 10.492 1.00 54.14 H new ATOM 0 HD3 LYS A 24 -5.482 11.718 11.815 1.00 54.14 H new ATOM 0 HE2 LYS A 24 -4.992 12.933 9.093 1.00 21.22 H new ATOM 0 HE3 LYS A 24 -6.482 12.060 9.390 1.00 21.22 H new ATOM 0 HZ1 LYS A 24 -6.740 14.412 9.842 1.00 71.32 H new ATOM 0 HZ2 LYS A 24 -6.932 13.522 11.276 1.00 71.32 H new ATOM 0 HZ3 LYS A 24 -5.488 14.368 10.988 1.00 71.32 H new ATOM 391 N LYS A 25 -3.426 11.173 8.243 1.00 23.34 N ATOM 392 CA LYS A 25 -3.492 11.979 7.030 1.00 1.42 C ATOM 393 C LYS A 25 -2.960 13.387 7.284 1.00 42.13 C ATOM 394 O LYS A 25 -3.680 14.253 7.780 1.00 55.45 O ATOM 395 CB LYS A 25 -4.932 12.051 6.518 1.00 31.11 C ATOM 396 CG LYS A 25 -5.577 10.690 6.326 1.00 15.55 C ATOM 397 CD LYS A 25 -7.086 10.804 6.182 1.00 51.33 C ATOM 398 CE LYS A 25 -7.484 11.176 4.761 1.00 64.33 C ATOM 399 NZ LYS A 25 -8.846 10.680 4.420 1.00 75.14 N ATOM 0 H LYS A 25 -4.325 10.806 8.554 1.00 23.34 H new ATOM 0 HA LYS A 25 -2.868 11.504 6.273 1.00 1.42 H new ATOM 0 HB2 LYS A 25 -5.530 12.631 7.220 1.00 31.11 H new ATOM 0 HB3 LYS A 25 -4.945 12.587 5.569 1.00 31.11 H new ATOM 0 HG2 LYS A 25 -5.161 10.211 5.440 1.00 15.55 H new ATOM 0 HG3 LYS A 25 -5.339 10.050 7.176 1.00 15.55 H new ATOM 0 HD2 LYS A 25 -7.551 9.857 6.455 1.00 51.33 H new ATOM 0 HD3 LYS A 25 -7.463 11.556 6.875 1.00 51.33 H new ATOM 0 HE2 LYS A 25 -7.453 12.260 4.647 1.00 64.33 H new ATOM 0 HE3 LYS A 25 -6.760 10.760 4.060 1.00 64.33 H new ATOM 0 HZ1 LYS A 25 -9.081 10.953 3.444 1.00 75.14 H new ATOM 0 HZ2 LYS A 25 -8.869 9.644 4.505 1.00 75.14 H new ATOM 0 HZ3 LYS A 25 -9.541 11.096 5.073 1.00 75.14 H new ATOM 413 N GLY A 26 -1.695 13.608 6.938 1.00 24.41 N ATOM 414 CA GLY A 26 -1.089 14.912 7.135 1.00 32.40 C ATOM 415 C GLY A 26 -0.261 14.981 8.401 1.00 63.01 C ATOM 416 O GLY A 26 0.076 16.068 8.871 1.00 61.03 O ATOM 0 H GLY A 26 -1.079 12.907 6.525 1.00 24.41 H new ATOM 0 HA2 GLY A 26 -0.458 15.149 6.278 1.00 32.40 H new ATOM 0 HA3 GLY A 26 -1.871 15.670 7.174 1.00 32.40 H new ATOM 420 N GLN A 27 0.068 13.819 8.956 1.00 50.50 N ATOM 421 CA GLN A 27 0.862 13.753 10.178 1.00 13.44 C ATOM 422 C GLN A 27 2.351 13.861 9.867 1.00 35.03 C ATOM 423 O GLN A 27 2.879 13.119 9.039 1.00 74.04 O ATOM 424 CB GLN A 27 0.578 12.449 10.926 1.00 13.12 C ATOM 425 CG GLN A 27 0.498 12.618 12.434 1.00 1.11 C ATOM 426 CD GLN A 27 1.199 11.503 13.184 1.00 24.30 C ATOM 427 OE1 GLN A 27 1.988 11.751 14.097 1.00 53.31 O ATOM 428 NE2 GLN A 27 0.914 10.262 12.803 1.00 44.45 N ATOM 0 H GLN A 27 -0.203 12.911 8.579 1.00 50.50 H new ATOM 0 HA GLN A 27 0.580 14.595 10.810 1.00 13.44 H new ATOM 0 HB2 GLN A 27 -0.361 12.030 10.565 1.00 13.12 H new ATOM 0 HB3 GLN A 27 1.360 11.727 10.691 1.00 13.12 H new ATOM 0 HG2 GLN A 27 0.942 13.574 12.713 1.00 1.11 H new ATOM 0 HG3 GLN A 27 -0.548 12.653 12.737 1.00 1.11 H new ATOM 0 HE21 GLN A 27 0.254 10.101 12.042 1.00 44.45 H new ATOM 0 HE22 GLN A 27 1.355 9.471 13.272 1.00 44.45 H new ATOM 437 N THR A 28 3.024 14.793 10.536 1.00 21.42 N ATOM 438 CA THR A 28 4.451 14.999 10.330 1.00 45.25 C ATOM 439 C THR A 28 5.247 13.751 10.695 1.00 73.55 C ATOM 440 O THR A 28 4.974 13.101 11.705 1.00 13.25 O ATOM 441 CB THR A 28 4.973 16.186 11.162 1.00 42.55 C ATOM 442 OG1 THR A 28 3.971 17.205 11.243 1.00 14.34 O ATOM 443 CG2 THR A 28 6.240 16.762 10.547 1.00 24.25 C ATOM 0 H THR A 28 2.603 15.416 11.225 1.00 21.42 H new ATOM 0 HA THR A 28 4.588 15.217 9.271 1.00 45.25 H new ATOM 0 HB THR A 28 5.206 15.825 12.164 1.00 42.55 H new ATOM 0 HG1 THR A 28 4.310 17.955 11.775 1.00 14.34 H new ATOM 0 HG21 THR A 28 6.590 17.599 11.152 1.00 24.25 H new ATOM 0 HG22 THR A 28 7.010 15.992 10.513 1.00 24.25 H new ATOM 0 HG23 THR A 28 6.028 17.109 9.536 1.00 24.25 H new ATOM 451 N LEU A 29 6.231 13.418 9.866 1.00 2.25 N ATOM 452 CA LEU A 29 7.067 12.246 10.103 1.00 52.53 C ATOM 453 C LEU A 29 8.538 12.568 9.856 1.00 34.11 C ATOM 454 O LEU A 29 9.418 12.072 10.557 1.00 5.21 O ATOM 455 CB LEU A 29 6.627 11.092 9.200 1.00 4.02 C ATOM 456 CG LEU A 29 5.141 10.733 9.246 1.00 10.35 C ATOM 457 CD1 LEU A 29 4.697 10.128 7.924 1.00 22.31 C ATOM 458 CD2 LEU A 29 4.859 9.776 10.396 1.00 73.14 C ATOM 0 H LEU A 29 6.469 13.943 9.024 1.00 2.25 H new ATOM 0 HA LEU A 29 6.949 11.950 11.145 1.00 52.53 H new ATOM 0 HB2 LEU A 29 6.888 11.342 8.172 1.00 4.02 H new ATOM 0 HB3 LEU A 29 7.203 10.206 9.469 1.00 4.02 H new ATOM 0 HG LEU A 29 4.571 11.647 9.413 1.00 10.35 H new ATOM 0 HD11 LEU A 29 3.637 9.879 7.976 1.00 22.31 H new ATOM 0 HD12 LEU A 29 4.862 10.847 7.121 1.00 22.31 H new ATOM 0 HD13 LEU A 29 5.273 9.224 7.726 1.00 22.31 H new ATOM 0 HD21 LEU A 29 3.797 9.531 10.414 1.00 73.14 H new ATOM 0 HD22 LEU A 29 5.439 8.863 10.261 1.00 73.14 H new ATOM 0 HD23 LEU A 29 5.138 10.247 11.338 1.00 73.14 H new ATOM 470 N PHE A 30 8.795 13.403 8.854 1.00 74.02 N ATOM 471 CA PHE A 30 10.159 13.792 8.514 1.00 24.03 C ATOM 472 C PHE A 30 10.229 15.273 8.155 1.00 33.21 C ATOM 473 O PHE A 30 9.206 15.909 7.900 1.00 14.24 O ATOM 474 CB PHE A 30 10.678 12.948 7.349 1.00 31.34 C ATOM 475 CG PHE A 30 10.628 11.470 7.610 1.00 23.43 C ATOM 476 CD1 PHE A 30 9.470 10.748 7.365 1.00 51.25 C ATOM 477 CD2 PHE A 30 11.738 10.802 8.101 1.00 20.21 C ATOM 478 CE1 PHE A 30 9.422 9.388 7.605 1.00 22.30 C ATOM 479 CE2 PHE A 30 11.695 9.442 8.343 1.00 73.21 C ATOM 480 CZ PHE A 30 10.536 8.734 8.094 1.00 72.12 C ATOM 0 H PHE A 30 8.077 13.823 8.264 1.00 74.02 H new ATOM 0 HA PHE A 30 10.788 13.618 9.387 1.00 24.03 H new ATOM 0 HB2 PHE A 30 10.090 13.172 6.459 1.00 31.34 H new ATOM 0 HB3 PHE A 30 11.707 13.236 7.132 1.00 31.34 H new ATOM 0 HD1 PHE A 30 8.596 11.254 6.982 1.00 51.25 H new ATOM 0 HD2 PHE A 30 12.648 11.350 8.297 1.00 20.21 H new ATOM 0 HE1 PHE A 30 8.514 8.837 7.410 1.00 22.30 H new ATOM 0 HE2 PHE A 30 12.567 8.933 8.727 1.00 73.21 H new ATOM 0 HZ PHE A 30 10.501 7.671 8.281 1.00 72.12 H new ATOM 490 N ILE A 31 11.442 15.815 8.137 1.00 21.35 N ATOM 491 CA ILE A 31 11.645 17.221 7.809 1.00 4.13 C ATOM 492 C ILE A 31 12.960 17.427 7.067 1.00 44.33 C ATOM 493 O ILE A 31 13.954 16.754 7.345 1.00 21.34 O ATOM 494 CB ILE A 31 11.638 18.101 9.073 1.00 11.22 C ATOM 495 CG1 ILE A 31 10.427 17.767 9.947 1.00 64.21 C ATOM 496 CG2 ILE A 31 11.632 19.574 8.693 1.00 40.41 C ATOM 497 CD1 ILE A 31 10.312 18.637 11.179 1.00 44.42 C ATOM 0 H ILE A 31 12.299 15.302 8.346 1.00 21.35 H new ATOM 0 HA ILE A 31 10.817 17.518 7.166 1.00 4.13 H new ATOM 0 HB ILE A 31 12.543 17.896 9.645 1.00 11.22 H new ATOM 0 HG12 ILE A 31 9.520 17.872 9.352 1.00 64.21 H new ATOM 0 HG13 ILE A 31 10.488 16.723 10.254 1.00 64.21 H new ATOM 0 HG21 ILE A 31 11.627 20.183 9.597 1.00 40.41 H new ATOM 0 HG22 ILE A 31 12.522 19.802 8.107 1.00 40.41 H new ATOM 0 HG23 ILE A 31 10.742 19.794 8.103 1.00 40.41 H new ATOM 0 HD11 ILE A 31 9.431 18.344 11.751 1.00 44.42 H new ATOM 0 HD12 ILE A 31 11.202 18.514 11.796 1.00 44.42 H new ATOM 0 HD13 ILE A 31 10.219 19.681 10.880 1.00 44.42 H new ATOM 509 N ILE A 32 12.961 18.363 6.123 1.00 70.44 N ATOM 510 CA ILE A 32 14.156 18.659 5.343 1.00 11.13 C ATOM 511 C ILE A 32 14.280 20.155 5.076 1.00 50.13 C ATOM 512 O ILE A 32 13.289 20.831 4.804 1.00 13.24 O ATOM 513 CB ILE A 32 14.151 17.908 3.998 1.00 25.41 C ATOM 514 CG1 ILE A 32 14.481 16.429 4.215 1.00 54.45 C ATOM 515 CG2 ILE A 32 15.143 18.542 3.034 1.00 33.52 C ATOM 516 CD1 ILE A 32 13.748 15.502 3.269 1.00 1.24 C ATOM 0 H ILE A 32 12.148 18.929 5.880 1.00 70.44 H new ATOM 0 HA ILE A 32 15.009 18.325 5.933 1.00 11.13 H new ATOM 0 HB ILE A 32 13.155 17.979 3.562 1.00 25.41 H new ATOM 0 HG12 ILE A 32 15.555 16.283 4.095 1.00 54.45 H new ATOM 0 HG13 ILE A 32 14.235 16.157 5.241 1.00 54.45 H new ATOM 0 HG21 ILE A 32 15.128 18.000 2.088 1.00 33.52 H new ATOM 0 HG22 ILE A 32 14.868 19.582 2.861 1.00 33.52 H new ATOM 0 HG23 ILE A 32 16.145 18.498 3.462 1.00 33.52 H new ATOM 0 HD11 ILE A 32 14.030 14.470 3.480 1.00 1.24 H new ATOM 0 HD12 ILE A 32 12.673 15.620 3.405 1.00 1.24 H new ATOM 0 HD13 ILE A 32 14.013 15.748 2.241 1.00 1.24 H new ATOM 528 N GLU A 33 15.506 20.665 5.154 1.00 32.24 N ATOM 529 CA GLU A 33 15.760 22.081 4.921 1.00 74.02 C ATOM 530 C GLU A 33 16.434 22.297 3.568 1.00 62.50 C ATOM 531 O GLU A 33 17.551 21.834 3.341 1.00 23.32 O ATOM 532 CB GLU A 33 16.634 22.657 6.036 1.00 32.14 C ATOM 533 CG GLU A 33 17.220 24.020 5.709 1.00 72.13 C ATOM 534 CD GLU A 33 18.720 23.973 5.492 1.00 61.45 C ATOM 535 OE1 GLU A 33 19.230 22.901 5.104 1.00 63.42 O ATOM 536 OE2 GLU A 33 19.383 25.007 5.709 1.00 4.21 O ATOM 0 H GLU A 33 16.338 20.118 5.377 1.00 32.24 H new ATOM 0 HA GLU A 33 14.801 22.600 4.918 1.00 74.02 H new ATOM 0 HB2 GLU A 33 16.041 22.735 6.947 1.00 32.14 H new ATOM 0 HB3 GLU A 33 17.447 21.962 6.244 1.00 32.14 H new ATOM 0 HG2 GLU A 33 16.739 24.413 4.813 1.00 72.13 H new ATOM 0 HG3 GLU A 33 16.996 24.712 6.521 1.00 72.13 H new ATOM 543 N GLN A 34 15.747 23.003 2.676 1.00 23.42 N ATOM 544 CA GLN A 34 16.279 23.279 1.347 1.00 62.11 C ATOM 545 C GLN A 34 17.712 23.792 1.430 1.00 24.12 C ATOM 546 O GLN A 34 18.172 24.209 2.494 1.00 51.21 O ATOM 547 CB GLN A 34 15.400 24.300 0.625 1.00 11.31 C ATOM 548 CG GLN A 34 14.080 23.729 0.134 1.00 33.52 C ATOM 549 CD GLN A 34 12.937 23.990 1.095 1.00 52.13 C ATOM 550 OE1 GLN A 34 12.616 22.998 1.918 1.00 31.33 O flip ATOM 551 NE2 GLN A 34 12.349 25.072 1.098 1.00 40.03 N flip ATOM 0 H GLN A 34 14.821 23.394 2.849 1.00 23.42 H new ATOM 0 HA GLN A 34 16.279 22.347 0.782 1.00 62.11 H new ATOM 0 HB2 GLN A 34 15.198 25.133 1.298 1.00 11.31 H new ATOM 0 HB3 GLN A 34 15.950 24.704 -0.225 1.00 11.31 H new ATOM 0 HG2 GLN A 34 13.840 24.163 -0.837 1.00 33.52 H new ATOM 0 HG3 GLN A 34 14.186 22.654 -0.015 1.00 33.52 H new ATOM 0 HE21 GLN A 34 12.629 25.806 0.448 1.00 40.03 H new ATOM 0 HE22 GLN A 34 11.582 25.234 1.751 1.00 40.03 H new ATOM 560 N ASP A 35 18.415 23.758 0.303 1.00 33.42 N ATOM 561 CA ASP A 35 19.796 24.222 0.248 1.00 65.54 C ATOM 562 C ASP A 35 20.269 24.349 -1.196 1.00 4.53 C ATOM 563 O ASP A 35 21.454 24.189 -1.487 1.00 12.01 O ATOM 564 CB ASP A 35 20.709 23.261 1.013 1.00 32.24 C ATOM 565 CG ASP A 35 21.090 22.047 0.191 1.00 63.34 C ATOM 566 OD1 ASP A 35 20.280 21.630 -0.664 1.00 24.41 O ATOM 567 OD2 ASP A 35 22.199 21.510 0.402 1.00 31.12 O ATOM 0 H ASP A 35 18.051 23.414 -0.585 1.00 33.42 H new ATOM 0 HA ASP A 35 19.842 25.206 0.715 1.00 65.54 H new ATOM 0 HB2 ASP A 35 21.613 23.788 1.317 1.00 32.24 H new ATOM 0 HB3 ASP A 35 20.207 22.936 1.925 1.00 32.24 H new ATOM 572 N GLN A 36 19.335 24.640 -2.096 1.00 72.01 N ATOM 573 CA GLN A 36 19.657 24.788 -3.510 1.00 3.42 C ATOM 574 C GLN A 36 20.692 25.888 -3.720 1.00 73.32 C ATOM 575 O GLN A 36 21.284 26.388 -2.764 1.00 34.33 O ATOM 576 CB GLN A 36 18.393 25.101 -4.313 1.00 31.12 C ATOM 577 CG GLN A 36 17.265 24.109 -4.082 1.00 21.22 C ATOM 578 CD GLN A 36 16.014 24.453 -4.867 1.00 42.22 C ATOM 579 OE1 GLN A 36 16.090 24.936 -5.997 1.00 44.33 O ATOM 580 NE2 GLN A 36 14.854 24.205 -4.271 1.00 11.43 N ATOM 0 H GLN A 36 18.350 24.778 -1.871 1.00 72.01 H new ATOM 0 HA GLN A 36 20.078 23.846 -3.861 1.00 3.42 H new ATOM 0 HB2 GLN A 36 18.045 26.101 -4.053 1.00 31.12 H new ATOM 0 HB3 GLN A 36 18.641 25.116 -5.374 1.00 31.12 H new ATOM 0 HG2 GLN A 36 17.602 23.111 -4.362 1.00 21.22 H new ATOM 0 HG3 GLN A 36 17.025 24.079 -3.019 1.00 21.22 H new ATOM 0 HE21 GLN A 36 14.838 23.804 -3.333 1.00 11.43 H new ATOM 0 HE22 GLN A 36 13.979 24.416 -4.751 1.00 11.43 H new ATOM 589 N ALA A 37 20.906 26.260 -4.979 1.00 24.43 N ATOM 590 CA ALA A 37 21.869 27.302 -5.313 1.00 34.32 C ATOM 591 C ALA A 37 21.593 28.578 -4.525 1.00 13.12 C ATOM 592 O ALA A 37 22.488 29.399 -4.322 1.00 73.33 O ATOM 593 CB ALA A 37 21.840 27.586 -6.808 1.00 24.31 C ATOM 0 H ALA A 37 20.426 25.855 -5.783 1.00 24.43 H new ATOM 0 HA ALA A 37 22.862 26.946 -5.040 1.00 34.32 H new ATOM 0 HB1 ALA A 37 22.564 28.366 -7.044 1.00 24.31 H new ATOM 0 HB2 ALA A 37 22.093 26.678 -7.356 1.00 24.31 H new ATOM 0 HB3 ALA A 37 20.842 27.917 -7.096 1.00 24.31 H new ATOM 599 N SER A 38 20.350 28.739 -4.085 1.00 33.55 N ATOM 600 CA SER A 38 19.955 29.918 -3.323 1.00 13.03 C ATOM 601 C SER A 38 20.821 30.074 -2.077 1.00 44.40 C ATOM 602 O SER A 38 20.929 31.164 -1.513 1.00 61.02 O ATOM 603 CB SER A 38 18.480 29.825 -2.924 1.00 64.03 C ATOM 604 OG SER A 38 18.033 28.481 -2.939 1.00 71.53 O ATOM 0 H SER A 38 19.598 28.068 -4.243 1.00 33.55 H new ATOM 0 HA SER A 38 20.098 30.793 -3.956 1.00 13.03 H new ATOM 0 HB2 SER A 38 18.342 30.247 -1.928 1.00 64.03 H new ATOM 0 HB3 SER A 38 17.876 30.420 -3.609 1.00 64.03 H new ATOM 0 HG SER A 38 17.089 28.447 -2.679 1.00 71.53 H new ATOM 610 N LYS A 39 21.438 28.977 -1.651 1.00 53.30 N ATOM 611 CA LYS A 39 22.297 28.989 -0.473 1.00 14.14 C ATOM 612 C LYS A 39 23.707 29.443 -0.832 1.00 53.03 C ATOM 613 O LYS A 39 24.329 30.210 -0.098 1.00 23.05 O ATOM 614 CB LYS A 39 22.343 27.599 0.164 1.00 24.02 C ATOM 615 CG LYS A 39 21.285 27.384 1.233 1.00 23.00 C ATOM 616 CD LYS A 39 19.905 27.781 0.739 1.00 0.35 C ATOM 617 CE LYS A 39 18.909 27.876 1.885 1.00 73.21 C ATOM 618 NZ LYS A 39 19.111 26.792 2.886 1.00 35.42 N ATOM 0 H LYS A 39 21.359 28.067 -2.105 1.00 53.30 H new ATOM 0 HA LYS A 39 21.879 29.696 0.243 1.00 14.14 H new ATOM 0 HB2 LYS A 39 22.218 26.847 -0.615 1.00 24.02 H new ATOM 0 HB3 LYS A 39 23.328 27.442 0.603 1.00 24.02 H new ATOM 0 HG2 LYS A 39 21.277 26.336 1.533 1.00 23.00 H new ATOM 0 HG3 LYS A 39 21.537 27.967 2.118 1.00 23.00 H new ATOM 0 HD2 LYS A 39 19.963 28.741 0.226 1.00 0.35 H new ATOM 0 HD3 LYS A 39 19.554 27.050 0.010 1.00 0.35 H new ATOM 0 HE2 LYS A 39 19.009 28.845 2.374 1.00 73.21 H new ATOM 0 HE3 LYS A 39 17.895 27.821 1.490 1.00 73.21 H new ATOM 0 HZ1 LYS A 39 18.483 26.949 3.700 1.00 35.42 H new ATOM 0 HZ2 LYS A 39 18.892 25.873 2.452 1.00 35.42 H new ATOM 0 HZ3 LYS A 39 20.100 26.796 3.207 1.00 35.42 H new ATOM 632 N ASP A 40 24.206 28.965 -1.968 1.00 25.30 N ATOM 633 CA ASP A 40 25.544 29.323 -2.426 1.00 35.23 C ATOM 634 C ASP A 40 25.688 30.837 -2.550 1.00 35.14 C ATOM 635 O ASP A 40 26.798 31.368 -2.543 1.00 21.15 O ATOM 636 CB ASP A 40 25.840 28.658 -3.771 1.00 33.43 C ATOM 637 CG ASP A 40 26.547 27.326 -3.614 1.00 42.11 C ATOM 638 OD1 ASP A 40 26.211 26.584 -2.669 1.00 20.53 O ATOM 639 OD2 ASP A 40 27.439 27.028 -4.437 1.00 21.44 O ATOM 0 H ASP A 40 23.704 28.329 -2.588 1.00 25.30 H new ATOM 0 HA ASP A 40 26.262 28.967 -1.688 1.00 35.23 H new ATOM 0 HB2 ASP A 40 24.906 28.509 -4.313 1.00 33.43 H new ATOM 0 HB3 ASP A 40 26.456 29.324 -4.375 1.00 33.43 H new ATOM 644 N PHE A 41 24.557 31.527 -2.665 1.00 61.25 N ATOM 645 CA PHE A 41 24.558 32.979 -2.794 1.00 14.31 C ATOM 646 C PHE A 41 24.308 33.644 -1.444 1.00 45.51 C ATOM 647 O PHE A 41 25.246 34.022 -0.744 1.00 65.11 O ATOM 648 CB PHE A 41 23.492 33.424 -3.798 1.00 61.12 C ATOM 649 CG PHE A 41 23.423 34.913 -3.979 1.00 33.42 C ATOM 650 CD1 PHE A 41 24.560 35.640 -4.293 1.00 63.24 C ATOM 651 CD2 PHE A 41 22.221 35.586 -3.835 1.00 52.14 C ATOM 652 CE1 PHE A 41 24.500 37.010 -4.459 1.00 34.15 C ATOM 653 CE2 PHE A 41 22.153 36.958 -4.000 1.00 61.44 C ATOM 654 CZ PHE A 41 23.294 37.670 -4.313 1.00 60.44 C ATOM 0 H PHE A 41 23.629 31.104 -2.671 1.00 61.25 H new ATOM 0 HA PHE A 41 25.539 33.286 -3.156 1.00 14.31 H new ATOM 0 HB2 PHE A 41 23.695 32.958 -4.762 1.00 61.12 H new ATOM 0 HB3 PHE A 41 22.519 33.061 -3.467 1.00 61.12 H new ATOM 0 HD1 PHE A 41 25.505 35.129 -4.409 1.00 63.24 H new ATOM 0 HD2 PHE A 41 21.326 35.033 -3.591 1.00 52.14 H new ATOM 0 HE1 PHE A 41 25.394 37.565 -4.703 1.00 34.15 H new ATOM 0 HE2 PHE A 41 21.210 37.471 -3.884 1.00 61.44 H new ATOM 0 HZ PHE A 41 23.244 38.741 -4.444 1.00 60.44 H new ATOM 664 N ASN A 42 23.037 33.785 -1.085 1.00 33.03 N ATOM 665 CA ASN A 42 22.663 34.406 0.180 1.00 61.21 C ATOM 666 C ASN A 42 21.148 34.395 0.365 1.00 2.11 C ATOM 667 O ASN A 42 20.619 33.650 1.189 1.00 33.53 O ATOM 668 CB ASN A 42 23.185 35.843 0.241 1.00 70.21 C ATOM 669 CG ASN A 42 23.245 36.376 1.660 1.00 55.13 C ATOM 670 OD1 ASN A 42 24.275 36.886 2.101 1.00 73.14 O ATOM 671 ND2 ASN A 42 22.136 36.262 2.381 1.00 62.40 N ATOM 0 H ASN A 42 22.248 33.477 -1.653 1.00 33.03 H new ATOM 0 HA ASN A 42 23.114 33.828 0.987 1.00 61.21 H new ATOM 0 HB2 ASN A 42 24.180 35.885 -0.202 1.00 70.21 H new ATOM 0 HB3 ASN A 42 22.542 36.486 -0.359 1.00 70.21 H new ATOM 0 HD22 ASN A 42 21.305 35.832 1.974 1.00 62.40 H new ATOM 677 N ARG A 43 20.457 35.228 -0.407 1.00 41.22 N ATOM 678 CA ARG A 43 19.004 35.315 -0.328 1.00 50.04 C ATOM 679 C ARG A 43 18.572 36.051 0.936 1.00 11.34 C ATOM 680 O ARG A 43 17.878 37.066 0.869 1.00 2.23 O ATOM 681 CB ARG A 43 18.386 33.915 -0.354 1.00 31.04 C ATOM 682 CG ARG A 43 17.339 33.732 -1.439 1.00 32.35 C ATOM 683 CD ARG A 43 17.912 34.008 -2.820 1.00 3.24 C ATOM 684 NE ARG A 43 17.659 32.909 -3.747 1.00 60.32 N ATOM 685 CZ ARG A 43 18.141 32.865 -4.984 1.00 44.22 C ATOM 686 NH1 ARG A 43 18.899 33.854 -5.439 1.00 64.44 N ATOM 687 NH2 ARG A 43 17.867 31.830 -5.768 1.00 5.41 N ATOM 0 H ARG A 43 20.880 35.852 -1.094 1.00 41.22 H new ATOM 0 HA ARG A 43 18.650 35.876 -1.193 1.00 50.04 H new ATOM 0 HB2 ARG A 43 19.178 33.180 -0.498 1.00 31.04 H new ATOM 0 HB3 ARG A 43 17.932 33.709 0.615 1.00 31.04 H new ATOM 0 HG2 ARG A 43 16.950 32.714 -1.402 1.00 32.35 H new ATOM 0 HG3 ARG A 43 16.499 34.401 -1.252 1.00 32.35 H new ATOM 0 HD2 ARG A 43 17.476 34.925 -3.217 1.00 3.24 H new ATOM 0 HD3 ARG A 43 18.986 34.175 -2.740 1.00 3.24 H new ATOM 0 HE ARG A 43 17.080 32.132 -3.427 1.00 60.32 H new ATOM 0 HH11 ARG A 43 19.113 34.650 -4.839 1.00 64.44 H new ATOM 0 HH12 ARG A 43 19.268 33.818 -6.389 1.00 64.44 H new ATOM 0 HH21 ARG A 43 17.286 31.067 -5.421 1.00 5.41 H new ATOM 0 HH22 ARG A 43 18.238 31.797 -6.718 1.00 5.41 H new ATOM 701 N SER A 44 18.985 35.532 2.088 1.00 3.42 N ATOM 702 CA SER A 44 18.637 36.138 3.368 1.00 21.11 C ATOM 703 C SER A 44 17.122 36.204 3.544 1.00 44.34 C ATOM 704 O SER A 44 16.367 35.691 2.718 1.00 25.33 O ATOM 705 CB SER A 44 19.236 37.542 3.471 1.00 20.23 C ATOM 706 OG SER A 44 18.271 38.531 3.159 1.00 4.21 O ATOM 0 H SER A 44 19.561 34.693 2.161 1.00 3.42 H new ATOM 0 HA SER A 44 19.050 35.515 4.161 1.00 21.11 H new ATOM 0 HB2 SER A 44 19.616 37.706 4.479 1.00 20.23 H new ATOM 0 HB3 SER A 44 20.084 37.630 2.792 1.00 20.23 H new ATOM 0 HG SER A 44 17.921 38.373 2.258 1.00 4.21 H new ATOM 712 N LYS A 45 16.686 36.840 4.625 1.00 23.13 N ATOM 713 CA LYS A 45 15.263 36.975 4.912 1.00 43.21 C ATOM 714 C LYS A 45 14.687 38.214 4.234 1.00 44.51 C ATOM 715 O LYS A 45 13.587 38.178 3.685 1.00 1.52 O ATOM 716 CB LYS A 45 15.031 37.053 6.423 1.00 53.44 C ATOM 717 CG LYS A 45 15.310 35.750 7.149 1.00 44.04 C ATOM 718 CD LYS A 45 16.658 35.781 7.851 1.00 24.24 C ATOM 719 CE LYS A 45 17.741 35.123 7.010 1.00 33.55 C ATOM 720 NZ LYS A 45 18.732 34.395 7.852 1.00 12.41 N ATOM 0 H LYS A 45 17.298 37.271 5.318 1.00 23.13 H new ATOM 0 HA LYS A 45 14.753 36.096 4.518 1.00 43.21 H new ATOM 0 HB2 LYS A 45 15.666 37.835 6.840 1.00 53.44 H new ATOM 0 HB3 LYS A 45 13.998 37.349 6.609 1.00 53.44 H new ATOM 0 HG2 LYS A 45 14.523 35.563 7.879 1.00 44.04 H new ATOM 0 HG3 LYS A 45 15.288 34.924 6.438 1.00 44.04 H new ATOM 0 HD2 LYS A 45 16.936 36.814 8.061 1.00 24.24 H new ATOM 0 HD3 LYS A 45 16.581 35.270 8.811 1.00 24.24 H new ATOM 0 HE2 LYS A 45 17.282 34.428 6.306 1.00 33.55 H new ATOM 0 HE3 LYS A 45 18.254 35.882 6.420 1.00 33.55 H new ATOM 0 HZ1 LYS A 45 19.453 33.961 7.242 1.00 12.41 H new ATOM 0 HZ2 LYS A 45 19.188 35.062 8.506 1.00 12.41 H new ATOM 0 HZ3 LYS A 45 18.247 33.653 8.396 1.00 12.41 H new ATOM 734 N ALA A 46 15.441 39.309 4.274 1.00 33.11 N ATOM 735 CA ALA A 46 15.007 40.558 3.660 1.00 33.23 C ATOM 736 C ALA A 46 15.798 40.849 2.389 1.00 21.14 C ATOM 737 O ALA A 46 16.528 39.992 1.890 1.00 24.42 O ATOM 738 CB ALA A 46 15.148 41.708 4.646 1.00 21.12 C ATOM 0 H ALA A 46 16.355 39.356 4.725 1.00 33.11 H new ATOM 0 HA ALA A 46 13.957 40.454 3.388 1.00 33.23 H new ATOM 0 HB1 ALA A 46 14.820 42.634 4.174 1.00 21.12 H new ATOM 0 HB2 ALA A 46 14.534 41.511 5.525 1.00 21.12 H new ATOM 0 HB3 ALA A 46 16.191 41.803 4.947 1.00 21.12 H new ATOM 744 N LEU A 47 15.647 42.062 1.869 1.00 74.34 N ATOM 745 CA LEU A 47 16.347 42.466 0.654 1.00 22.42 C ATOM 746 C LEU A 47 15.896 41.629 -0.538 1.00 34.52 C ATOM 747 O LEU A 47 16.414 40.537 -0.775 1.00 13.33 O ATOM 748 CB LEU A 47 17.859 42.330 0.845 1.00 11.55 C ATOM 749 CG LEU A 47 18.398 42.708 2.225 1.00 53.43 C ATOM 750 CD1 LEU A 47 19.906 42.519 2.279 1.00 73.12 C ATOM 751 CD2 LEU A 47 18.026 44.143 2.569 1.00 13.23 C ATOM 0 H LEU A 47 15.046 42.783 2.269 1.00 74.34 H new ATOM 0 HA LEU A 47 16.104 43.510 0.454 1.00 22.42 H new ATOM 0 HB2 LEU A 47 18.140 41.297 0.638 1.00 11.55 H new ATOM 0 HB3 LEU A 47 18.356 42.951 0.100 1.00 11.55 H new ATOM 0 HG LEU A 47 17.943 42.049 2.964 1.00 53.43 H new ATOM 0 HD11 LEU A 47 20.272 42.793 3.269 1.00 73.12 H new ATOM 0 HD12 LEU A 47 20.149 41.476 2.078 1.00 73.12 H new ATOM 0 HD13 LEU A 47 20.379 43.153 1.529 1.00 73.12 H new ATOM 0 HD21 LEU A 47 18.418 44.394 3.555 1.00 13.23 H new ATOM 0 HD22 LEU A 47 18.452 44.817 1.826 1.00 13.23 H new ATOM 0 HD23 LEU A 47 16.941 44.247 2.573 1.00 13.23 H new ATOM 763 N PHE A 48 14.928 42.149 -1.287 1.00 43.45 N ATOM 764 CA PHE A 48 14.409 41.450 -2.457 1.00 34.13 C ATOM 765 C PHE A 48 13.911 42.440 -3.505 1.00 51.52 C ATOM 766 O PHE A 48 12.713 42.707 -3.604 1.00 3.41 O ATOM 767 CB PHE A 48 13.274 40.507 -2.051 1.00 64.22 C ATOM 768 CG PHE A 48 13.688 39.065 -1.984 1.00 41.44 C ATOM 769 CD1 PHE A 48 14.302 38.558 -0.851 1.00 22.35 C ATOM 770 CD2 PHE A 48 13.463 38.216 -3.056 1.00 44.25 C ATOM 771 CE1 PHE A 48 14.683 37.231 -0.786 1.00 43.34 C ATOM 772 CE2 PHE A 48 13.843 36.888 -2.997 1.00 12.03 C ATOM 773 CZ PHE A 48 14.455 36.396 -1.860 1.00 54.24 C ATOM 0 H PHE A 48 14.488 43.051 -1.104 1.00 43.45 H new ATOM 0 HA PHE A 48 15.221 40.866 -2.891 1.00 34.13 H new ATOM 0 HB2 PHE A 48 12.890 40.812 -1.078 1.00 64.22 H new ATOM 0 HB3 PHE A 48 12.455 40.609 -2.763 1.00 64.22 H new ATOM 0 HD1 PHE A 48 14.485 39.207 -0.008 1.00 22.35 H new ATOM 0 HD2 PHE A 48 12.986 38.596 -3.947 1.00 44.25 H new ATOM 0 HE1 PHE A 48 15.159 36.848 0.105 1.00 43.34 H new ATOM 0 HE2 PHE A 48 13.662 36.236 -3.839 1.00 12.03 H new ATOM 0 HZ PHE A 48 14.754 35.359 -1.812 1.00 54.24 H new ATOM 783 N SER A 49 14.840 42.982 -4.286 1.00 42.44 N ATOM 784 CA SER A 49 14.499 43.947 -5.325 1.00 30.43 C ATOM 785 C SER A 49 14.331 43.256 -6.675 1.00 65.24 C ATOM 786 O SER A 49 15.057 42.314 -6.996 1.00 2.34 O ATOM 787 CB SER A 49 15.577 45.027 -5.423 1.00 5.33 C ATOM 788 OG SER A 49 15.004 46.323 -5.410 1.00 34.12 O ATOM 0 H SER A 49 15.835 42.769 -4.219 1.00 42.44 H new ATOM 0 HA SER A 49 13.552 44.414 -5.055 1.00 30.43 H new ATOM 0 HB2 SER A 49 16.274 44.926 -4.591 1.00 5.33 H new ATOM 0 HB3 SER A 49 16.152 44.889 -6.339 1.00 5.33 H new ATOM 0 HG SER A 49 15.714 46.995 -5.472 1.00 34.12 H new ATOM 794 N GLN A 50 13.370 43.730 -7.461 1.00 23.51 N ATOM 795 CA GLN A 50 13.108 43.157 -8.776 1.00 31.43 C ATOM 796 C GLN A 50 14.365 43.175 -9.638 1.00 55.30 C ATOM 797 O GLN A 50 14.520 42.356 -10.544 1.00 32.21 O ATOM 798 CB GLN A 50 11.984 43.925 -9.474 1.00 53.22 C ATOM 799 CG GLN A 50 11.758 43.497 -10.916 1.00 44.02 C ATOM 800 CD GLN A 50 10.322 43.684 -11.363 1.00 4.40 C ATOM 801 OE1 GLN A 50 9.411 43.040 -10.844 1.00 34.45 O ATOM 802 NE2 GLN A 50 10.114 44.570 -12.330 1.00 24.22 N ATOM 0 H GLN A 50 12.760 44.509 -7.211 1.00 23.51 H new ATOM 0 HA GLN A 50 12.800 42.121 -8.639 1.00 31.43 H new ATOM 0 HB2 GLN A 50 11.059 43.788 -8.914 1.00 53.22 H new ATOM 0 HB3 GLN A 50 12.215 44.990 -9.452 1.00 53.22 H new ATOM 0 HG2 GLN A 50 12.415 44.072 -11.569 1.00 44.02 H new ATOM 0 HG3 GLN A 50 12.035 42.449 -11.027 1.00 44.02 H new ATOM 0 HE21 GLN A 50 10.900 45.081 -12.731 1.00 24.22 H new ATOM 0 HE22 GLN A 50 9.168 44.739 -12.672 1.00 24.22 H new ATOM 811 N SER A 51 15.260 44.115 -9.352 1.00 71.24 N ATOM 812 CA SER A 51 16.503 44.242 -10.105 1.00 35.43 C ATOM 813 C SER A 51 17.376 43.003 -9.925 1.00 13.23 C ATOM 814 O SER A 51 18.195 42.677 -10.784 1.00 1.45 O ATOM 815 CB SER A 51 17.269 45.488 -9.659 1.00 1.24 C ATOM 816 OG SER A 51 17.893 46.125 -10.760 1.00 71.24 O ATOM 0 H SER A 51 15.148 44.800 -8.604 1.00 71.24 H new ATOM 0 HA SER A 51 16.251 44.338 -11.161 1.00 35.43 H new ATOM 0 HB2 SER A 51 16.586 46.184 -9.172 1.00 1.24 H new ATOM 0 HB3 SER A 51 18.022 45.211 -8.921 1.00 1.24 H new ATOM 0 HG SER A 51 18.375 46.920 -10.448 1.00 71.24 H new ATOM 822 N ALA A 52 17.194 42.316 -8.802 1.00 3.33 N ATOM 823 CA ALA A 52 17.962 41.113 -8.509 1.00 50.43 C ATOM 824 C ALA A 52 17.378 39.901 -9.225 1.00 71.55 C ATOM 825 O ALA A 52 18.064 39.237 -10.002 1.00 14.21 O ATOM 826 CB ALA A 52 18.011 40.870 -7.008 1.00 50.31 C ATOM 0 H ALA A 52 16.521 42.573 -8.080 1.00 3.33 H new ATOM 0 HA ALA A 52 18.978 41.263 -8.874 1.00 50.43 H new ATOM 0 HB1 ALA A 52 18.588 39.968 -6.804 1.00 50.31 H new ATOM 0 HB2 ALA A 52 18.483 41.721 -6.517 1.00 50.31 H new ATOM 0 HB3 ALA A 52 16.998 40.746 -6.626 1.00 50.31 H new ATOM 832 N ILE A 53 16.108 39.617 -8.956 1.00 55.31 N ATOM 833 CA ILE A 53 15.431 38.484 -9.576 1.00 52.34 C ATOM 834 C ILE A 53 14.102 38.906 -10.191 1.00 1.31 C ATOM 835 O ILE A 53 13.599 39.997 -9.920 1.00 71.14 O ATOM 836 CB ILE A 53 15.179 37.355 -8.559 1.00 13.14 C ATOM 837 CG1 ILE A 53 14.691 37.935 -7.230 1.00 15.31 C ATOM 838 CG2 ILE A 53 16.443 36.535 -8.354 1.00 24.40 C ATOM 839 CD1 ILE A 53 13.644 37.084 -6.546 1.00 53.23 C ATOM 0 H ILE A 53 15.527 40.155 -8.313 1.00 55.31 H new ATOM 0 HA ILE A 53 16.090 38.114 -10.362 1.00 52.34 H new ATOM 0 HB ILE A 53 14.404 36.698 -8.953 1.00 13.14 H new ATOM 0 HG12 ILE A 53 15.543 38.055 -6.561 1.00 15.31 H new ATOM 0 HG13 ILE A 53 14.281 38.929 -7.406 1.00 15.31 H new ATOM 0 HG21 ILE A 53 16.249 35.741 -7.633 1.00 24.40 H new ATOM 0 HG22 ILE A 53 16.750 36.096 -9.303 1.00 24.40 H new ATOM 0 HG23 ILE A 53 17.238 37.180 -7.979 1.00 24.40 H new ATOM 0 HD11 ILE A 53 13.345 37.557 -5.610 1.00 53.23 H new ATOM 0 HD12 ILE A 53 12.775 36.984 -7.196 1.00 53.23 H new ATOM 0 HD13 ILE A 53 14.057 36.097 -6.338 1.00 53.23 H new ATOM 851 N SER A 54 13.535 38.034 -11.019 1.00 1.40 N ATOM 852 CA SER A 54 12.264 38.318 -11.674 1.00 53.02 C ATOM 853 C SER A 54 11.104 37.698 -10.902 1.00 61.35 C ATOM 854 O SER A 54 10.723 36.553 -11.148 1.00 4.52 O ATOM 855 CB SER A 54 12.277 37.789 -13.110 1.00 71.32 C ATOM 856 OG SER A 54 12.206 38.850 -14.046 1.00 45.24 O ATOM 0 H SER A 54 13.936 37.125 -11.252 1.00 1.40 H new ATOM 0 HA SER A 54 12.127 39.399 -11.694 1.00 53.02 H new ATOM 0 HB2 SER A 54 13.185 37.211 -13.279 1.00 71.32 H new ATOM 0 HB3 SER A 54 11.436 37.112 -13.259 1.00 71.32 H new ATOM 0 HG SER A 54 12.218 38.485 -14.955 1.00 45.24 H new ATOM 862 N GLN A 55 10.548 38.461 -9.966 1.00 54.44 N ATOM 863 CA GLN A 55 9.433 37.986 -9.158 1.00 24.52 C ATOM 864 C GLN A 55 8.310 37.449 -10.039 1.00 12.23 C ATOM 865 O GLN A 55 7.566 36.554 -9.639 1.00 64.35 O ATOM 866 CB GLN A 55 8.905 39.113 -8.267 1.00 52.33 C ATOM 867 CG GLN A 55 7.768 38.685 -7.354 1.00 71.34 C ATOM 868 CD GLN A 55 7.495 39.688 -6.250 1.00 43.43 C ATOM 869 OE1 GLN A 55 8.068 39.603 -5.164 1.00 4.34 O ATOM 870 NE2 GLN A 55 6.619 40.647 -6.525 1.00 32.22 N ATOM 0 H GLN A 55 10.852 39.410 -9.749 1.00 54.44 H new ATOM 0 HA GLN A 55 9.795 37.173 -8.528 1.00 24.52 H new ATOM 0 HB2 GLN A 55 9.723 39.497 -7.658 1.00 52.33 H new ATOM 0 HB3 GLN A 55 8.564 39.934 -8.898 1.00 52.33 H new ATOM 0 HG2 GLN A 55 6.864 38.548 -7.947 1.00 71.34 H new ATOM 0 HG3 GLN A 55 8.008 37.719 -6.910 1.00 71.34 H new ATOM 0 HE21 GLN A 55 6.168 40.679 -7.439 1.00 32.22 H new ATOM 0 HE22 GLN A 55 6.397 41.352 -5.822 1.00 32.22 H new ATOM 879 N LYS A 56 8.190 38.004 -11.240 1.00 44.53 N ATOM 880 CA LYS A 56 7.160 37.583 -12.181 1.00 23.44 C ATOM 881 C LYS A 56 7.246 36.083 -12.445 1.00 41.42 C ATOM 882 O LYS A 56 6.250 35.446 -12.788 1.00 3.42 O ATOM 883 CB LYS A 56 7.294 38.352 -13.496 1.00 15.23 C ATOM 884 CG LYS A 56 8.700 38.336 -14.070 1.00 75.43 C ATOM 885 CD LYS A 56 8.707 38.735 -15.536 1.00 5.40 C ATOM 886 CE LYS A 56 8.462 40.227 -15.708 1.00 73.35 C ATOM 887 NZ LYS A 56 9.626 40.911 -16.339 1.00 23.52 N ATOM 0 H LYS A 56 8.796 38.749 -11.585 1.00 44.53 H new ATOM 0 HA LYS A 56 6.188 37.802 -11.739 1.00 23.44 H new ATOM 0 HB2 LYS A 56 6.607 37.926 -14.228 1.00 15.23 H new ATOM 0 HB3 LYS A 56 6.988 39.386 -13.335 1.00 15.23 H new ATOM 0 HG2 LYS A 56 9.333 39.018 -13.503 1.00 75.43 H new ATOM 0 HG3 LYS A 56 9.127 37.339 -13.961 1.00 75.43 H new ATOM 0 HD2 LYS A 56 9.665 38.469 -15.982 1.00 5.40 H new ATOM 0 HD3 LYS A 56 7.940 38.175 -16.070 1.00 5.40 H new ATOM 0 HE2 LYS A 56 7.574 40.381 -16.321 1.00 73.35 H new ATOM 0 HE3 LYS A 56 8.260 40.676 -14.736 1.00 73.35 H new ATOM 0 HZ1 LYS A 56 9.420 41.926 -16.439 1.00 23.52 H new ATOM 0 HZ2 LYS A 56 10.468 40.786 -15.741 1.00 23.52 H new ATOM 0 HZ3 LYS A 56 9.803 40.500 -17.278 1.00 23.52 H new ATOM 901 N GLU A 57 8.442 35.526 -12.284 1.00 63.44 N ATOM 902 CA GLU A 57 8.657 34.101 -12.505 1.00 75.23 C ATOM 903 C GLU A 57 9.405 33.474 -11.332 1.00 75.33 C ATOM 904 O GLU A 57 9.991 32.399 -11.460 1.00 24.00 O ATOM 905 CB GLU A 57 9.437 33.875 -13.802 1.00 4.50 C ATOM 906 CG GLU A 57 8.790 34.512 -15.021 1.00 74.44 C ATOM 907 CD GLU A 57 8.905 33.645 -16.261 1.00 41.32 C ATOM 908 OE1 GLU A 57 9.985 33.054 -16.473 1.00 0.14 O ATOM 909 OE2 GLU A 57 7.917 33.560 -17.019 1.00 0.32 O ATOM 0 H GLU A 57 9.277 36.040 -12.001 1.00 63.44 H new ATOM 0 HA GLU A 57 7.682 33.622 -12.588 1.00 75.23 H new ATOM 0 HB2 GLU A 57 10.444 34.275 -13.685 1.00 4.50 H new ATOM 0 HB3 GLU A 57 9.538 32.803 -13.973 1.00 4.50 H new ATOM 0 HG2 GLU A 57 7.737 34.703 -14.811 1.00 74.44 H new ATOM 0 HG3 GLU A 57 9.257 35.478 -15.213 1.00 74.44 H new ATOM 916 N TYR A 58 9.380 34.154 -10.192 1.00 44.41 N ATOM 917 CA TYR A 58 10.059 33.667 -8.997 1.00 32.41 C ATOM 918 C TYR A 58 9.276 34.031 -7.739 1.00 13.04 C ATOM 919 O TYR A 58 8.270 34.738 -7.804 1.00 21.41 O ATOM 920 CB TYR A 58 11.472 34.244 -8.916 1.00 50.44 C ATOM 921 CG TYR A 58 12.554 33.253 -9.283 1.00 33.43 C ATOM 922 CD1 TYR A 58 12.916 32.235 -8.408 1.00 73.31 C ATOM 923 CD2 TYR A 58 13.214 33.333 -10.503 1.00 31.31 C ATOM 924 CE1 TYR A 58 13.903 31.328 -8.739 1.00 63.33 C ATOM 925 CE2 TYR A 58 14.201 32.429 -10.842 1.00 61.11 C ATOM 926 CZ TYR A 58 14.542 31.428 -9.957 1.00 53.42 C ATOM 927 OH TYR A 58 15.527 30.526 -10.291 1.00 24.43 O ATOM 0 H TYR A 58 8.897 35.044 -10.070 1.00 44.41 H new ATOM 0 HA TYR A 58 10.121 32.581 -9.063 1.00 32.41 H new ATOM 0 HB2 TYR A 58 11.541 35.107 -9.579 1.00 50.44 H new ATOM 0 HB3 TYR A 58 11.650 34.605 -7.903 1.00 50.44 H new ATOM 0 HD1 TYR A 58 12.417 32.152 -7.454 1.00 73.31 H new ATOM 0 HD2 TYR A 58 12.950 34.116 -11.198 1.00 31.31 H new ATOM 0 HE1 TYR A 58 14.173 30.544 -8.047 1.00 63.33 H new ATOM 0 HE2 TYR A 58 14.703 32.505 -11.795 1.00 61.11 H new ATOM 0 HH TYR A 58 15.874 30.736 -11.183 1.00 24.43 H new ATOM 937 N ASP A 59 9.746 33.545 -6.596 1.00 73.24 N ATOM 938 CA ASP A 59 9.092 33.819 -5.321 1.00 55.02 C ATOM 939 C ASP A 59 10.093 33.755 -4.172 1.00 54.22 C ATOM 940 O ASP A 59 11.195 33.229 -4.325 1.00 71.12 O ATOM 941 CB ASP A 59 7.956 32.824 -5.081 1.00 62.05 C ATOM 942 CG ASP A 59 6.605 33.501 -4.974 1.00 34.00 C ATOM 943 OD1 ASP A 59 6.286 34.021 -3.884 1.00 61.43 O ATOM 944 OD2 ASP A 59 5.864 33.512 -5.981 1.00 4.33 O ATOM 0 H ASP A 59 10.578 32.959 -6.526 1.00 73.24 H new ATOM 0 HA ASP A 59 8.678 34.827 -5.363 1.00 55.02 H new ATOM 0 HB2 ASP A 59 7.933 32.101 -5.896 1.00 62.05 H new ATOM 0 HB3 ASP A 59 8.153 32.266 -4.165 1.00 62.05 H new ATOM 949 N SER A 60 9.702 34.296 -3.023 1.00 21.54 N ATOM 950 CA SER A 60 10.566 34.305 -1.849 1.00 65.25 C ATOM 951 C SER A 60 10.455 32.990 -1.082 1.00 31.24 C ATOM 952 O SER A 60 11.388 32.579 -0.393 1.00 5.44 O ATOM 953 CB SER A 60 10.207 35.475 -0.932 1.00 13.25 C ATOM 954 OG SER A 60 11.290 36.380 -0.812 1.00 1.41 O ATOM 0 H SER A 60 8.792 34.734 -2.880 1.00 21.54 H new ATOM 0 HA SER A 60 11.595 34.422 -2.188 1.00 65.25 H new ATOM 0 HB2 SER A 60 9.335 35.997 -1.327 1.00 13.25 H new ATOM 0 HB3 SER A 60 9.933 35.098 0.053 1.00 13.25 H new ATOM 0 HG SER A 60 11.925 36.229 -1.543 1.00 1.41 H new ATOM 960 N SER A 61 9.305 32.336 -1.207 1.00 63.33 N ATOM 961 CA SER A 61 9.068 31.070 -0.524 1.00 62.51 C ATOM 962 C SER A 61 10.063 30.008 -0.984 1.00 14.32 C ATOM 963 O SER A 61 10.417 29.102 -0.229 1.00 42.31 O ATOM 964 CB SER A 61 7.638 30.589 -0.777 1.00 21.32 C ATOM 965 OG SER A 61 6.756 31.061 0.226 1.00 2.21 O ATOM 0 H SER A 61 8.523 32.662 -1.775 1.00 63.33 H new ATOM 0 HA SER A 61 9.205 31.232 0.545 1.00 62.51 H new ATOM 0 HB2 SER A 61 7.302 30.936 -1.754 1.00 21.32 H new ATOM 0 HB3 SER A 61 7.616 29.499 -0.801 1.00 21.32 H new ATOM 0 HG SER A 61 5.848 30.741 0.040 1.00 2.21 H new ATOM 971 N LEU A 62 10.509 30.127 -2.230 1.00 74.44 N ATOM 972 CA LEU A 62 11.463 29.178 -2.794 1.00 40.20 C ATOM 973 C LEU A 62 12.872 29.762 -2.800 1.00 60.04 C ATOM 974 O LEU A 62 13.813 29.133 -3.283 1.00 61.41 O ATOM 975 CB LEU A 62 11.052 28.795 -4.217 1.00 21.14 C ATOM 976 CG LEU A 62 11.399 29.806 -5.311 1.00 61.24 C ATOM 977 CD1 LEU A 62 12.458 29.239 -6.243 1.00 62.02 C ATOM 978 CD2 LEU A 62 10.153 30.195 -6.092 1.00 0.04 C ATOM 0 H LEU A 62 10.226 30.870 -2.868 1.00 74.44 H new ATOM 0 HA LEU A 62 11.462 28.285 -2.169 1.00 40.20 H new ATOM 0 HB2 LEU A 62 11.523 27.844 -4.466 1.00 21.14 H new ATOM 0 HB3 LEU A 62 9.975 28.630 -4.231 1.00 21.14 H new ATOM 0 HG LEU A 62 11.801 30.702 -4.838 1.00 61.24 H new ATOM 0 HD11 LEU A 62 12.693 29.971 -7.015 1.00 62.02 H new ATOM 0 HD12 LEU A 62 13.359 29.010 -5.674 1.00 62.02 H new ATOM 0 HD13 LEU A 62 12.082 28.328 -6.709 1.00 62.02 H new ATOM 0 HD21 LEU A 62 10.419 30.915 -6.866 1.00 0.04 H new ATOM 0 HD22 LEU A 62 9.722 29.307 -6.555 1.00 0.04 H new ATOM 0 HD23 LEU A 62 9.424 30.642 -5.416 1.00 0.04 H new ATOM 990 N ALA A 63 13.010 30.968 -2.258 1.00 73.43 N ATOM 991 CA ALA A 63 14.305 31.634 -2.197 1.00 32.20 C ATOM 992 C ALA A 63 14.699 31.936 -0.756 1.00 42.41 C ATOM 993 O ALA A 63 14.738 33.095 -0.341 1.00 1.43 O ATOM 994 CB ALA A 63 14.278 32.915 -3.019 1.00 72.15 C ATOM 0 H ALA A 63 12.241 31.503 -1.855 1.00 73.43 H new ATOM 0 HA ALA A 63 15.053 30.961 -2.617 1.00 32.20 H new ATOM 0 HB1 ALA A 63 15.251 33.403 -2.965 1.00 72.15 H new ATOM 0 HB2 ALA A 63 14.049 32.676 -4.058 1.00 72.15 H new ATOM 0 HB3 ALA A 63 13.514 33.585 -2.624 1.00 72.15 H new ATOM 1000 N THR A 64 14.991 30.887 0.006 1.00 53.30 N ATOM 1001 CA THR A 64 15.381 31.040 1.402 1.00 12.23 C ATOM 1002 C THR A 64 15.660 29.687 2.047 1.00 70.14 C ATOM 1003 O THR A 64 15.697 28.660 1.368 1.00 41.25 O ATOM 1004 CB THR A 64 14.291 31.766 2.213 1.00 31.23 C ATOM 1005 OG1 THR A 64 13.068 31.802 1.468 1.00 43.42 O ATOM 1006 CG2 THR A 64 14.725 33.184 2.553 1.00 31.33 C ATOM 0 H THR A 64 14.965 29.921 -0.321 1.00 53.30 H new ATOM 0 HA THR A 64 16.292 31.639 1.412 1.00 12.23 H new ATOM 0 HB THR A 64 14.134 31.218 3.142 1.00 31.23 H new ATOM 0 HG1 THR A 64 12.377 31.300 1.949 1.00 43.42 H new ATOM 0 HG21 THR A 64 13.940 33.677 3.126 1.00 31.33 H new ATOM 0 HG22 THR A 64 15.640 33.153 3.144 1.00 31.33 H new ATOM 0 HG23 THR A 64 14.906 33.739 1.633 1.00 31.33 H new ATOM 1014 N LEU A 65 15.857 29.692 3.360 1.00 21.14 N ATOM 1015 CA LEU A 65 16.133 28.464 4.097 1.00 33.25 C ATOM 1016 C LEU A 65 14.838 27.795 4.546 1.00 34.14 C ATOM 1017 O LEU A 65 14.830 27.001 5.487 1.00 41.44 O ATOM 1018 CB LEU A 65 17.013 28.762 5.312 1.00 10.30 C ATOM 1019 CG LEU A 65 16.296 29.329 6.538 1.00 34.02 C ATOM 1020 CD1 LEU A 65 17.126 29.108 7.792 1.00 43.43 C ATOM 1021 CD2 LEU A 65 16.001 30.810 6.346 1.00 54.34 C ATOM 0 H LEU A 65 15.831 30.533 3.937 1.00 21.14 H new ATOM 0 HA LEU A 65 16.661 27.781 3.431 1.00 33.25 H new ATOM 0 HB2 LEU A 65 17.517 27.841 5.605 1.00 10.30 H new ATOM 0 HB3 LEU A 65 17.787 29.467 5.010 1.00 10.30 H new ATOM 0 HG LEU A 65 15.349 28.802 6.657 1.00 34.02 H new ATOM 0 HD11 LEU A 65 16.599 29.518 8.654 1.00 43.43 H new ATOM 0 HD12 LEU A 65 17.286 28.040 7.939 1.00 43.43 H new ATOM 0 HD13 LEU A 65 18.089 29.607 7.684 1.00 43.43 H new ATOM 0 HD21 LEU A 65 15.491 31.197 7.228 1.00 54.34 H new ATOM 0 HD22 LEU A 65 16.936 31.351 6.201 1.00 54.34 H new ATOM 0 HD23 LEU A 65 15.365 30.944 5.471 1.00 54.34 H new ATOM 1033 N ASP A 66 13.744 28.120 3.865 1.00 20.21 N ATOM 1034 CA ASP A 66 12.442 27.548 4.190 1.00 22.25 C ATOM 1035 C ASP A 66 12.547 26.040 4.393 1.00 73.21 C ATOM 1036 O ASP A 66 13.124 25.331 3.567 1.00 22.41 O ATOM 1037 CB ASP A 66 11.433 27.859 3.084 1.00 23.21 C ATOM 1038 CG ASP A 66 10.676 29.148 3.336 1.00 42.54 C ATOM 1039 OD1 ASP A 66 11.283 30.229 3.191 1.00 51.53 O ATOM 1040 OD2 ASP A 66 9.477 29.075 3.678 1.00 24.31 O ATOM 0 H ASP A 66 13.733 28.777 3.084 1.00 20.21 H new ATOM 0 HA ASP A 66 12.097 27.998 5.121 1.00 22.25 H new ATOM 0 HB2 ASP A 66 11.955 27.928 2.129 1.00 23.21 H new ATOM 0 HB3 ASP A 66 10.724 27.035 3.001 1.00 23.21 H new ATOM 1045 N HIS A 67 11.985 25.555 5.495 1.00 24.00 N ATOM 1046 CA HIS A 67 12.015 24.130 5.806 1.00 44.24 C ATOM 1047 C HIS A 67 10.811 23.416 5.200 1.00 42.41 C ATOM 1048 O HIS A 67 9.776 24.031 4.942 1.00 13.04 O ATOM 1049 CB HIS A 67 12.040 23.917 7.320 1.00 71.15 C ATOM 1050 CG HIS A 67 13.360 24.244 7.949 1.00 70.10 C ATOM 1051 ND1 HIS A 67 13.612 24.081 9.295 1.00 64.52 N ATOM 1052 CD2 HIS A 67 14.503 24.726 7.409 1.00 32.11 C ATOM 1053 CE1 HIS A 67 14.854 24.450 9.555 1.00 25.01 C ATOM 1054 NE2 HIS A 67 15.416 24.845 8.427 1.00 41.12 N ATOM 0 H HIS A 67 11.503 26.128 6.188 1.00 24.00 H new ATOM 0 HA HIS A 67 12.922 23.708 5.372 1.00 44.24 H new ATOM 0 HB2 HIS A 67 11.266 24.533 7.778 1.00 71.15 H new ATOM 0 HB3 HIS A 67 11.791 22.878 7.537 1.00 71.15 H new ATOM 0 HD1 HIS A 67 12.944 23.731 9.982 1.00 64.52 H new ATOM 0 HD2 HIS A 67 14.667 24.971 6.370 1.00 32.11 H new ATOM 0 HE1 HIS A 67 15.329 24.432 10.525 1.00 25.01 H new ATOM 1062 N THR A 68 10.954 22.113 4.973 1.00 21.14 N ATOM 1063 CA THR A 68 9.880 21.317 4.395 1.00 35.42 C ATOM 1064 C THR A 68 9.382 20.266 5.382 1.00 65.11 C ATOM 1065 O THR A 68 10.173 19.517 5.955 1.00 13.41 O ATOM 1066 CB THR A 68 10.333 20.615 3.102 1.00 55.51 C ATOM 1067 OG1 THR A 68 9.216 20.436 2.224 1.00 54.53 O ATOM 1068 CG2 THR A 68 10.963 19.265 3.410 1.00 12.45 C ATOM 0 H THR A 68 11.803 21.588 5.181 1.00 21.14 H new ATOM 0 HA THR A 68 9.068 22.006 4.160 1.00 35.42 H new ATOM 0 HB THR A 68 11.079 21.244 2.617 1.00 55.51 H new ATOM 0 HG1 THR A 68 8.949 19.493 2.222 1.00 54.53 H new ATOM 0 HG21 THR A 68 11.275 18.789 2.481 1.00 12.45 H new ATOM 0 HG22 THR A 68 11.831 19.407 4.054 1.00 12.45 H new ATOM 0 HG23 THR A 68 10.235 18.631 3.916 1.00 12.45 H new ATOM 1076 N GLU A 69 8.068 20.216 5.574 1.00 75.52 N ATOM 1077 CA GLU A 69 7.467 19.255 6.492 1.00 24.02 C ATOM 1078 C GLU A 69 6.937 18.039 5.738 1.00 63.55 C ATOM 1079 O GLU A 69 5.931 18.121 5.035 1.00 14.44 O ATOM 1080 CB GLU A 69 6.333 19.912 7.283 1.00 51.32 C ATOM 1081 CG GLU A 69 6.701 21.268 7.861 1.00 34.10 C ATOM 1082 CD GLU A 69 5.803 22.381 7.355 1.00 13.21 C ATOM 1083 OE1 GLU A 69 4.629 22.435 7.776 1.00 3.44 O ATOM 1084 OE2 GLU A 69 6.276 23.198 6.536 1.00 21.44 O ATOM 0 H GLU A 69 7.400 20.829 5.107 1.00 75.52 H new ATOM 0 HA GLU A 69 8.240 18.922 7.185 1.00 24.02 H new ATOM 0 HB2 GLU A 69 5.466 20.027 6.632 1.00 51.32 H new ATOM 0 HB3 GLU A 69 6.036 19.249 8.095 1.00 51.32 H new ATOM 0 HG2 GLU A 69 6.641 21.224 8.948 1.00 34.10 H new ATOM 0 HG3 GLU A 69 7.736 21.498 7.608 1.00 34.10 H new ATOM 1091 N ILE A 70 7.624 16.912 5.889 1.00 21.51 N ATOM 1092 CA ILE A 70 7.223 15.678 5.223 1.00 62.03 C ATOM 1093 C ILE A 70 6.062 15.013 5.952 1.00 35.53 C ATOM 1094 O ILE A 70 6.261 14.242 6.891 1.00 0.41 O ATOM 1095 CB ILE A 70 8.395 14.682 5.131 1.00 21.54 C ATOM 1096 CG1 ILE A 70 9.495 15.238 4.224 1.00 20.20 C ATOM 1097 CG2 ILE A 70 7.906 13.337 4.617 1.00 61.41 C ATOM 1098 CD1 ILE A 70 10.500 16.102 4.954 1.00 52.31 C ATOM 0 H ILE A 70 8.461 16.827 6.466 1.00 21.51 H new ATOM 0 HA ILE A 70 6.908 15.950 4.216 1.00 62.03 H new ATOM 0 HB ILE A 70 8.811 14.539 6.128 1.00 21.54 H new ATOM 0 HG12 ILE A 70 10.018 14.408 3.750 1.00 20.20 H new ATOM 0 HG13 ILE A 70 9.036 15.823 3.427 1.00 20.20 H new ATOM 0 HG21 ILE A 70 8.745 12.644 4.557 1.00 61.41 H new ATOM 0 HG22 ILE A 70 7.154 12.939 5.298 1.00 61.41 H new ATOM 0 HG23 ILE A 70 7.468 13.463 3.627 1.00 61.41 H new ATOM 0 HD11 ILE A 70 11.250 16.462 4.250 1.00 52.31 H new ATOM 0 HD12 ILE A 70 9.989 16.952 5.405 1.00 52.31 H new ATOM 0 HD13 ILE A 70 10.986 15.515 5.734 1.00 52.31 H new ATOM 1110 N LYS A 71 4.844 15.314 5.512 1.00 52.24 N ATOM 1111 CA LYS A 71 3.647 14.742 6.118 1.00 0.51 C ATOM 1112 C LYS A 71 3.167 13.526 5.334 1.00 51.01 C ATOM 1113 O LYS A 71 3.255 13.493 4.107 1.00 54.12 O ATOM 1114 CB LYS A 71 2.535 15.792 6.185 1.00 44.01 C ATOM 1115 CG LYS A 71 2.128 16.335 4.826 1.00 64.14 C ATOM 1116 CD LYS A 71 1.852 17.829 4.883 1.00 70.33 C ATOM 1117 CE LYS A 71 2.762 18.600 3.940 1.00 5.12 C ATOM 1118 NZ LYS A 71 2.442 20.054 3.926 1.00 11.31 N ATOM 0 H LYS A 71 4.660 15.951 4.737 1.00 52.24 H new ATOM 0 HA LYS A 71 3.899 14.422 7.129 1.00 0.51 H new ATOM 0 HB2 LYS A 71 1.662 15.354 6.668 1.00 44.01 H new ATOM 0 HB3 LYS A 71 2.865 16.619 6.813 1.00 44.01 H new ATOM 0 HG2 LYS A 71 2.919 16.137 4.102 1.00 64.14 H new ATOM 0 HG3 LYS A 71 1.238 15.813 4.476 1.00 64.14 H new ATOM 0 HD2 LYS A 71 0.811 18.018 4.621 1.00 70.33 H new ATOM 0 HD3 LYS A 71 1.995 18.188 5.902 1.00 70.33 H new ATOM 0 HE2 LYS A 71 3.800 18.459 4.241 1.00 5.12 H new ATOM 0 HE3 LYS A 71 2.665 18.197 2.932 1.00 5.12 H new ATOM 0 HZ1 LYS A 71 3.084 20.545 3.271 1.00 11.31 H new ATOM 0 HZ2 LYS A 71 1.459 20.190 3.614 1.00 11.31 H new ATOM 0 HZ3 LYS A 71 2.559 20.444 4.883 1.00 11.31 H new ATOM 1132 N ALA A 72 2.657 12.530 6.050 1.00 32.11 N ATOM 1133 CA ALA A 72 2.159 11.313 5.420 1.00 3.30 C ATOM 1134 C ALA A 72 0.977 11.612 4.505 1.00 1.01 C ATOM 1135 O ALA A 72 0.161 12.495 4.774 1.00 32.43 O ATOM 1136 CB ALA A 72 1.765 10.294 6.479 1.00 21.15 C ATOM 0 H ALA A 72 2.578 12.541 7.067 1.00 32.11 H new ATOM 0 HA ALA A 72 2.960 10.896 4.810 1.00 3.30 H new ATOM 0 HB1 ALA A 72 1.395 9.390 5.995 1.00 21.15 H new ATOM 0 HB2 ALA A 72 2.634 10.049 7.089 1.00 21.15 H new ATOM 0 HB3 ALA A 72 0.983 10.712 7.113 1.00 21.15 H new ATOM 1142 N PRO A 73 0.880 10.863 3.398 1.00 74.04 N ATOM 1143 CA PRO A 73 -0.199 11.031 2.419 1.00 63.32 C ATOM 1144 C PRO A 73 -1.549 10.575 2.963 1.00 42.01 C ATOM 1145 O PRO A 73 -2.593 11.108 2.586 1.00 30.12 O ATOM 1146 CB PRO A 73 0.236 10.138 1.254 1.00 3.53 C ATOM 1147 CG PRO A 73 1.116 9.109 1.874 1.00 60.45 C ATOM 1148 CD PRO A 73 1.817 9.793 3.013 1.00 0.44 C ATOM 0 HA PRO A 73 -0.340 12.076 2.143 1.00 63.32 H new ATOM 0 HB2 PRO A 73 -0.623 9.681 0.763 1.00 3.53 H new ATOM 0 HB3 PRO A 73 0.770 10.710 0.495 1.00 3.53 H new ATOM 0 HG2 PRO A 73 0.532 8.260 2.229 1.00 60.45 H new ATOM 0 HG3 PRO A 73 1.834 8.722 1.150 1.00 60.45 H new ATOM 0 HD2 PRO A 73 2.005 9.107 3.839 1.00 0.44 H new ATOM 0 HD3 PRO A 73 2.783 10.195 2.707 1.00 0.44 H new ATOM 1156 N PHE A 74 -1.521 9.587 3.851 1.00 13.13 N ATOM 1157 CA PHE A 74 -2.744 9.060 4.447 1.00 14.11 C ATOM 1158 C PHE A 74 -2.425 8.157 5.635 1.00 42.34 C ATOM 1159 O PHE A 74 -1.403 7.471 5.650 1.00 53.34 O ATOM 1160 CB PHE A 74 -3.551 8.284 3.404 1.00 72.05 C ATOM 1161 CG PHE A 74 -2.714 7.362 2.563 1.00 74.11 C ATOM 1162 CD1 PHE A 74 -2.366 6.104 3.028 1.00 70.34 C ATOM 1163 CD2 PHE A 74 -2.276 7.754 1.309 1.00 51.02 C ATOM 1164 CE1 PHE A 74 -1.596 5.255 2.256 1.00 64.21 C ATOM 1165 CE2 PHE A 74 -1.505 6.908 0.533 1.00 12.21 C ATOM 1166 CZ PHE A 74 -1.166 5.656 1.007 1.00 0.52 C ATOM 0 H PHE A 74 -0.666 9.135 4.174 1.00 13.13 H new ATOM 0 HA PHE A 74 -3.338 9.902 4.803 1.00 14.11 H new ATOM 0 HB2 PHE A 74 -4.321 7.702 3.911 1.00 72.05 H new ATOM 0 HB3 PHE A 74 -4.064 8.992 2.753 1.00 72.05 H new ATOM 0 HD1 PHE A 74 -2.700 5.784 4.004 1.00 70.34 H new ATOM 0 HD2 PHE A 74 -2.540 8.731 0.933 1.00 51.02 H new ATOM 0 HE1 PHE A 74 -1.330 4.277 2.630 1.00 64.21 H new ATOM 0 HE2 PHE A 74 -1.168 7.226 -0.443 1.00 12.21 H new ATOM 0 HZ PHE A 74 -0.566 4.992 0.402 1.00 0.52 H new ATOM 1176 N ASP A 75 -3.306 8.164 6.629 1.00 2.04 N ATOM 1177 CA ASP A 75 -3.119 7.347 7.821 1.00 25.23 C ATOM 1178 C ASP A 75 -2.841 5.894 7.447 1.00 52.41 C ATOM 1179 O ASP A 75 -3.266 5.423 6.393 1.00 73.32 O ATOM 1180 CB ASP A 75 -4.355 7.427 8.719 1.00 34.43 C ATOM 1181 CG ASP A 75 -5.586 6.832 8.064 1.00 20.22 C ATOM 1182 OD1 ASP A 75 -6.277 7.564 7.324 1.00 4.14 O ATOM 1183 OD2 ASP A 75 -5.859 5.635 8.291 1.00 42.33 O ATOM 0 H ASP A 75 -4.157 8.727 6.633 1.00 2.04 H new ATOM 0 HA ASP A 75 -2.258 7.735 8.365 1.00 25.23 H new ATOM 0 HB2 ASP A 75 -4.156 6.904 9.654 1.00 34.43 H new ATOM 0 HB3 ASP A 75 -4.550 8.469 8.972 1.00 34.43 H new ATOM 1188 N GLY A 76 -2.124 5.191 8.317 1.00 60.24 N ATOM 1189 CA GLY A 76 -1.800 3.799 8.058 1.00 21.24 C ATOM 1190 C GLY A 76 -0.653 3.302 8.915 1.00 4.12 C ATOM 1191 O GLY A 76 -0.538 3.667 10.086 1.00 44.24 O ATOM 0 H GLY A 76 -1.761 5.559 9.196 1.00 60.24 H new ATOM 0 HA2 GLY A 76 -2.681 3.184 8.243 1.00 21.24 H new ATOM 0 HA3 GLY A 76 -1.542 3.679 7.006 1.00 21.24 H new ATOM 1195 N THR A 77 0.200 2.466 8.332 1.00 34.40 N ATOM 1196 CA THR A 77 1.343 1.915 9.050 1.00 13.22 C ATOM 1197 C THR A 77 2.656 2.398 8.446 1.00 31.42 C ATOM 1198 O THR A 77 2.817 2.421 7.225 1.00 61.53 O ATOM 1199 CB THR A 77 1.322 0.375 9.042 1.00 42.34 C ATOM 1200 OG1 THR A 77 0.158 -0.104 9.724 1.00 1.14 O ATOM 1201 CG2 THR A 77 2.570 -0.187 9.705 1.00 43.40 C ATOM 0 H THR A 77 0.121 2.155 7.364 1.00 34.40 H new ATOM 0 HA THR A 77 1.269 2.266 10.079 1.00 13.22 H new ATOM 0 HB THR A 77 1.298 0.041 8.005 1.00 42.34 H new ATOM 0 HG1 THR A 77 0.152 -1.084 9.712 1.00 1.14 H new ATOM 0 HG21 THR A 77 2.532 -1.276 9.687 1.00 43.40 H new ATOM 0 HG22 THR A 77 3.454 0.154 9.166 1.00 43.40 H new ATOM 0 HG23 THR A 77 2.620 0.158 10.738 1.00 43.40 H new ATOM 1209 N ILE A 78 3.592 2.782 9.307 1.00 44.10 N ATOM 1210 CA ILE A 78 4.893 3.262 8.857 1.00 32.03 C ATOM 1211 C ILE A 78 5.999 2.281 9.226 1.00 73.35 C ATOM 1212 O ILE A 78 5.969 1.665 10.291 1.00 15.44 O ATOM 1213 CB ILE A 78 5.223 4.640 9.461 1.00 51.20 C ATOM 1214 CG1 ILE A 78 6.564 5.147 8.926 1.00 61.40 C ATOM 1215 CG2 ILE A 78 5.247 4.561 10.980 1.00 43.23 C ATOM 1216 CD1 ILE A 78 6.541 6.603 8.518 1.00 50.25 C ATOM 0 H ILE A 78 3.474 2.770 10.320 1.00 44.10 H new ATOM 0 HA ILE A 78 4.838 3.352 7.772 1.00 32.03 H new ATOM 0 HB ILE A 78 4.446 5.345 9.167 1.00 51.20 H new ATOM 0 HG12 ILE A 78 7.328 5.004 9.690 1.00 61.40 H new ATOM 0 HG13 ILE A 78 6.855 4.542 8.067 1.00 61.40 H new ATOM 0 HG21 ILE A 78 5.482 5.543 11.392 1.00 43.23 H new ATOM 0 HG22 ILE A 78 4.271 4.239 11.343 1.00 43.23 H new ATOM 0 HG23 ILE A 78 6.006 3.845 11.295 1.00 43.23 H new ATOM 0 HD11 ILE A 78 7.525 6.893 8.149 1.00 50.25 H new ATOM 0 HD12 ILE A 78 5.801 6.749 7.731 1.00 50.25 H new ATOM 0 HD13 ILE A 78 6.281 7.218 9.379 1.00 50.25 H new ATOM 1228 N GLY A 79 6.978 2.139 8.337 1.00 12.01 N ATOM 1229 CA GLY A 79 8.082 1.231 8.587 1.00 62.33 C ATOM 1230 C GLY A 79 9.206 1.886 9.365 1.00 72.34 C ATOM 1231 O GLY A 79 8.979 2.832 10.119 1.00 24.22 O ATOM 0 H GLY A 79 7.026 2.637 7.448 1.00 12.01 H new ATOM 0 HA2 GLY A 79 7.718 0.365 9.140 1.00 62.33 H new ATOM 0 HA3 GLY A 79 8.468 0.863 7.636 1.00 62.33 H new ATOM 1235 N ASP A 80 10.421 1.381 9.185 1.00 53.41 N ATOM 1236 CA ASP A 80 11.585 1.923 9.876 1.00 71.22 C ATOM 1237 C ASP A 80 12.336 2.909 8.987 1.00 12.22 C ATOM 1238 O ASP A 80 12.352 2.770 7.764 1.00 35.11 O ATOM 1239 CB ASP A 80 12.520 0.792 10.307 1.00 43.41 C ATOM 1240 CG ASP A 80 12.722 -0.241 9.217 1.00 55.14 C ATOM 1241 OD1 ASP A 80 13.228 0.128 8.136 1.00 63.13 O ATOM 1242 OD2 ASP A 80 12.372 -1.419 9.442 1.00 32.41 O ATOM 0 H ASP A 80 10.626 0.597 8.566 1.00 53.41 H new ATOM 0 HA ASP A 80 11.236 2.454 10.762 1.00 71.22 H new ATOM 0 HB2 ASP A 80 13.486 1.211 10.589 1.00 43.41 H new ATOM 0 HB3 ASP A 80 12.112 0.306 11.193 1.00 43.41 H new ATOM 1247 N ALA A 81 12.956 3.906 9.609 1.00 22.41 N ATOM 1248 CA ALA A 81 13.708 4.915 8.875 1.00 43.43 C ATOM 1249 C ALA A 81 14.837 4.279 8.069 1.00 0.13 C ATOM 1250 O ALA A 81 15.339 3.211 8.421 1.00 3.13 O ATOM 1251 CB ALA A 81 14.263 5.959 9.831 1.00 3.32 C ATOM 0 H ALA A 81 12.952 4.036 10.621 1.00 22.41 H new ATOM 0 HA ALA A 81 13.028 5.403 8.177 1.00 43.43 H new ATOM 0 HB1 ALA A 81 14.823 6.706 9.269 1.00 3.32 H new ATOM 0 HB2 ALA A 81 13.441 6.442 10.359 1.00 3.32 H new ATOM 0 HB3 ALA A 81 14.924 5.478 10.552 1.00 3.32 H new ATOM 1257 N LEU A 82 15.231 4.942 6.988 1.00 60.01 N ATOM 1258 CA LEU A 82 16.301 4.442 6.131 1.00 23.32 C ATOM 1259 C LEU A 82 17.551 5.305 6.261 1.00 52.14 C ATOM 1260 O LEU A 82 18.671 4.793 6.295 1.00 1.53 O ATOM 1261 CB LEU A 82 15.839 4.407 4.673 1.00 43.43 C ATOM 1262 CG LEU A 82 15.137 3.127 4.221 1.00 25.33 C ATOM 1263 CD1 LEU A 82 14.167 2.645 5.289 1.00 51.23 C ATOM 1264 CD2 LEU A 82 14.413 3.353 2.903 1.00 74.31 C ATOM 0 H LEU A 82 14.826 5.827 6.684 1.00 60.01 H new ATOM 0 HA LEU A 82 16.547 3.430 6.452 1.00 23.32 H new ATOM 0 HB2 LEU A 82 15.163 5.246 4.507 1.00 43.43 H new ATOM 0 HB3 LEU A 82 16.708 4.566 4.034 1.00 43.43 H new ATOM 0 HG LEU A 82 15.892 2.355 4.070 1.00 25.33 H new ATOM 0 HD11 LEU A 82 13.676 1.733 4.950 1.00 51.23 H new ATOM 0 HD12 LEU A 82 14.712 2.443 6.211 1.00 51.23 H new ATOM 0 HD13 LEU A 82 13.417 3.414 5.473 1.00 51.23 H new ATOM 0 HD21 LEU A 82 13.919 2.431 2.597 1.00 74.31 H new ATOM 0 HD22 LEU A 82 13.669 4.140 3.027 1.00 74.31 H new ATOM 0 HD23 LEU A 82 15.132 3.651 2.139 1.00 74.31 H new ATOM 1276 N VAL A 83 17.353 6.618 6.336 1.00 75.33 N ATOM 1277 CA VAL A 83 18.464 7.552 6.465 1.00 51.22 C ATOM 1278 C VAL A 83 18.508 8.165 7.861 1.00 34.40 C ATOM 1279 O VAL A 83 17.698 7.826 8.723 1.00 40.03 O ATOM 1280 CB VAL A 83 18.370 8.683 5.423 1.00 43.22 C ATOM 1281 CG1 VAL A 83 18.681 8.154 4.031 1.00 25.53 C ATOM 1282 CG2 VAL A 83 16.995 9.331 5.462 1.00 65.20 C ATOM 0 H VAL A 83 16.433 7.058 6.310 1.00 75.33 H new ATOM 0 HA VAL A 83 19.377 6.983 6.292 1.00 51.22 H new ATOM 0 HB VAL A 83 19.111 9.443 5.670 1.00 43.22 H new ATOM 0 HG11 VAL A 83 18.610 8.967 3.308 1.00 25.53 H new ATOM 0 HG12 VAL A 83 19.690 7.742 4.015 1.00 25.53 H new ATOM 0 HG13 VAL A 83 17.966 7.373 3.770 1.00 25.53 H new ATOM 0 HG21 VAL A 83 16.947 10.128 4.719 1.00 65.20 H new ATOM 0 HG22 VAL A 83 16.234 8.583 5.241 1.00 65.20 H new ATOM 0 HG23 VAL A 83 16.817 9.748 6.453 1.00 65.20 H new ATOM 1292 N ASN A 84 19.458 9.069 8.076 1.00 72.35 N ATOM 1293 CA ASN A 84 19.607 9.728 9.367 1.00 41.52 C ATOM 1294 C ASN A 84 19.382 11.232 9.239 1.00 23.32 C ATOM 1295 O ASN A 84 19.062 11.732 8.160 1.00 64.22 O ATOM 1296 CB ASN A 84 20.999 9.457 9.944 1.00 31.12 C ATOM 1297 CG ASN A 84 21.315 7.975 10.017 1.00 51.41 C ATOM 1298 OD1 ASN A 84 20.965 7.301 10.984 1.00 22.42 O ATOM 1299 ND2 ASN A 84 21.982 7.463 8.989 1.00 52.23 N ATOM 0 H ASN A 84 20.136 9.362 7.372 1.00 72.35 H new ATOM 0 HA ASN A 84 18.855 9.322 10.043 1.00 41.52 H new ATOM 0 HB2 ASN A 84 21.748 9.956 9.329 1.00 31.12 H new ATOM 0 HB3 ASN A 84 21.066 9.890 10.942 1.00 31.12 H new ATOM 0 HD21 ASN A 84 22.224 6.472 8.981 1.00 52.23 H new ATOM 0 HD22 ASN A 84 22.252 8.061 8.208 1.00 52.23 H new ATOM 1306 N ILE A 85 19.552 11.946 10.346 1.00 3.40 N ATOM 1307 CA ILE A 85 19.369 13.392 10.357 1.00 40.51 C ATOM 1308 C ILE A 85 20.653 14.112 9.959 1.00 24.24 C ATOM 1309 O ILE A 85 21.755 13.637 10.235 1.00 33.03 O ATOM 1310 CB ILE A 85 18.922 13.893 11.743 1.00 23.43 C ATOM 1311 CG1 ILE A 85 17.565 13.291 12.114 1.00 52.11 C ATOM 1312 CG2 ILE A 85 18.856 15.412 11.762 1.00 4.12 C ATOM 1313 CD1 ILE A 85 17.028 13.783 13.440 1.00 34.21 C ATOM 0 H ILE A 85 19.816 11.547 11.247 1.00 3.40 H new ATOM 0 HA ILE A 85 18.589 13.616 9.630 1.00 40.51 H new ATOM 0 HB ILE A 85 19.656 13.572 12.482 1.00 23.43 H new ATOM 0 HG12 ILE A 85 16.845 13.527 11.330 1.00 52.11 H new ATOM 0 HG13 ILE A 85 17.655 12.205 12.148 1.00 52.11 H new ATOM 0 HG21 ILE A 85 18.539 15.750 12.748 1.00 4.12 H new ATOM 0 HG22 ILE A 85 19.841 15.822 11.537 1.00 4.12 H new ATOM 0 HG23 ILE A 85 18.141 15.755 11.014 1.00 4.12 H new ATOM 0 HD11 ILE A 85 16.064 13.315 13.638 1.00 34.21 H new ATOM 0 HD12 ILE A 85 17.728 13.524 14.235 1.00 34.21 H new ATOM 0 HD13 ILE A 85 16.905 14.865 13.404 1.00 34.21 H new ATOM 1325 N GLY A 86 20.503 15.262 9.310 1.00 51.24 N ATOM 1326 CA GLY A 86 21.659 16.031 8.886 1.00 42.45 C ATOM 1327 C GLY A 86 22.321 15.450 7.652 1.00 43.11 C ATOM 1328 O GLY A 86 23.457 15.795 7.327 1.00 51.32 O ATOM 0 H GLY A 86 19.602 15.675 9.070 1.00 51.24 H new ATOM 0 HA2 GLY A 86 21.354 17.057 8.682 1.00 42.45 H new ATOM 0 HA3 GLY A 86 22.384 16.070 9.699 1.00 42.45 H new ATOM 1332 N ASP A 87 21.610 14.563 6.964 1.00 11.21 N ATOM 1333 CA ASP A 87 22.136 13.931 5.759 1.00 14.33 C ATOM 1334 C ASP A 87 21.499 14.532 4.509 1.00 71.04 C ATOM 1335 O ASP A 87 20.285 14.728 4.451 1.00 4.02 O ATOM 1336 CB ASP A 87 21.887 12.423 5.798 1.00 43.44 C ATOM 1337 CG ASP A 87 23.168 11.622 5.667 1.00 21.53 C ATOM 1338 OD1 ASP A 87 23.693 11.521 4.538 1.00 21.23 O ATOM 1339 OD2 ASP A 87 23.645 11.097 6.694 1.00 64.53 O ATOM 0 H ASP A 87 20.669 14.265 7.220 1.00 11.21 H new ATOM 0 HA ASP A 87 23.210 14.113 5.722 1.00 14.33 H new ATOM 0 HB2 ASP A 87 21.393 12.163 6.734 1.00 43.44 H new ATOM 0 HB3 ASP A 87 21.206 12.149 4.992 1.00 43.44 H new ATOM 1344 N TYR A 88 22.327 14.823 3.511 1.00 24.14 N ATOM 1345 CA TYR A 88 21.846 15.405 2.264 1.00 13.15 C ATOM 1346 C TYR A 88 20.859 14.470 1.572 1.00 32.21 C ATOM 1347 O TYR A 88 21.210 13.356 1.182 1.00 32.33 O ATOM 1348 CB TYR A 88 23.020 15.706 1.331 1.00 21.42 C ATOM 1349 CG TYR A 88 22.599 16.248 -0.016 1.00 35.21 C ATOM 1350 CD1 TYR A 88 22.403 17.610 -0.209 1.00 73.10 C ATOM 1351 CD2 TYR A 88 22.395 15.398 -1.096 1.00 65.15 C ATOM 1352 CE1 TYR A 88 22.017 18.110 -1.438 1.00 61.04 C ATOM 1353 CE2 TYR A 88 22.011 15.888 -2.329 1.00 44.24 C ATOM 1354 CZ TYR A 88 21.824 17.245 -2.495 1.00 60.11 C ATOM 1355 OH TYR A 88 21.441 17.738 -3.721 1.00 33.41 O ATOM 0 H TYR A 88 23.334 14.665 3.542 1.00 24.14 H new ATOM 0 HA TYR A 88 21.332 16.336 2.502 1.00 13.15 H new ATOM 0 HB2 TYR A 88 23.681 16.427 1.813 1.00 21.42 H new ATOM 0 HB3 TYR A 88 23.598 14.794 1.182 1.00 21.42 H new ATOM 0 HD1 TYR A 88 22.555 18.290 0.616 1.00 73.10 H new ATOM 0 HD2 TYR A 88 22.539 14.335 -0.969 1.00 65.15 H new ATOM 0 HE1 TYR A 88 21.867 19.171 -1.570 1.00 61.04 H new ATOM 0 HE2 TYR A 88 21.858 15.213 -3.158 1.00 44.24 H new ATOM 0 HH TYR A 88 21.349 16.998 -4.357 1.00 33.41 H new ATOM 1365 N VAL A 89 19.621 14.932 1.422 1.00 24.24 N ATOM 1366 CA VAL A 89 18.581 14.139 0.777 1.00 62.03 C ATOM 1367 C VAL A 89 18.438 14.515 -0.694 1.00 12.13 C ATOM 1368 O VAL A 89 18.663 15.664 -1.076 1.00 33.52 O ATOM 1369 CB VAL A 89 17.222 14.319 1.476 1.00 23.43 C ATOM 1370 CG1 VAL A 89 17.200 13.573 2.802 1.00 51.44 C ATOM 1371 CG2 VAL A 89 16.920 15.796 1.681 1.00 15.34 C ATOM 0 H VAL A 89 19.314 15.852 1.739 1.00 24.24 H new ATOM 0 HA VAL A 89 18.884 13.095 0.855 1.00 62.03 H new ATOM 0 HB VAL A 89 16.446 13.898 0.837 1.00 23.43 H new ATOM 0 HG11 VAL A 89 16.231 13.712 3.282 1.00 51.44 H new ATOM 0 HG12 VAL A 89 17.368 12.511 2.625 1.00 51.44 H new ATOM 0 HG13 VAL A 89 17.985 13.961 3.451 1.00 51.44 H new ATOM 0 HG21 VAL A 89 15.955 15.905 2.177 1.00 15.34 H new ATOM 0 HG22 VAL A 89 17.698 16.244 2.299 1.00 15.34 H new ATOM 0 HG23 VAL A 89 16.890 16.299 0.714 1.00 15.34 H new ATOM 1381 N SER A 90 18.062 13.540 -1.514 1.00 42.43 N ATOM 1382 CA SER A 90 17.891 13.768 -2.945 1.00 63.34 C ATOM 1383 C SER A 90 16.413 13.883 -3.304 1.00 30.44 C ATOM 1384 O SER A 90 15.795 12.918 -3.753 1.00 74.35 O ATOM 1385 CB SER A 90 18.535 12.633 -3.744 1.00 42.33 C ATOM 1386 OG SER A 90 19.781 13.035 -4.288 1.00 35.14 O ATOM 0 H SER A 90 17.870 12.585 -1.213 1.00 42.43 H new ATOM 0 HA SER A 90 18.383 14.707 -3.200 1.00 63.34 H new ATOM 0 HB2 SER A 90 18.679 11.766 -3.099 1.00 42.33 H new ATOM 0 HB3 SER A 90 17.866 12.325 -4.548 1.00 42.33 H new ATOM 0 HG SER A 90 20.173 12.292 -4.792 1.00 35.14 H new ATOM 1392 N ALA A 91 15.852 15.071 -3.102 1.00 74.23 N ATOM 1393 CA ALA A 91 14.447 15.314 -3.406 1.00 61.04 C ATOM 1394 C ALA A 91 13.572 14.165 -2.915 1.00 41.35 C ATOM 1395 O ALA A 91 13.933 13.457 -1.975 1.00 75.45 O ATOM 1396 CB ALA A 91 14.260 15.522 -4.901 1.00 15.02 C ATOM 0 H ALA A 91 16.349 15.880 -2.729 1.00 74.23 H new ATOM 0 HA ALA A 91 14.138 16.219 -2.883 1.00 61.04 H new ATOM 0 HB1 ALA A 91 13.206 15.702 -5.114 1.00 15.02 H new ATOM 0 HB2 ALA A 91 14.848 16.381 -5.225 1.00 15.02 H new ATOM 0 HB3 ALA A 91 14.591 14.632 -5.436 1.00 15.02 H new ATOM 1402 N SER A 92 12.423 13.987 -3.558 1.00 61.41 N ATOM 1403 CA SER A 92 11.494 12.926 -3.183 1.00 52.31 C ATOM 1404 C SER A 92 12.141 11.555 -3.351 1.00 52.21 C ATOM 1405 O SER A 92 11.681 10.565 -2.782 1.00 32.50 O ATOM 1406 CB SER A 92 10.223 13.010 -4.030 1.00 0.42 C ATOM 1407 OG SER A 92 10.489 12.689 -5.384 1.00 42.21 O ATOM 0 H SER A 92 12.112 14.563 -4.341 1.00 61.41 H new ATOM 0 HA SER A 92 11.232 13.059 -2.133 1.00 52.31 H new ATOM 0 HB2 SER A 92 9.472 12.328 -3.632 1.00 0.42 H new ATOM 0 HB3 SER A 92 9.806 14.015 -3.967 1.00 0.42 H new ATOM 0 HG SER A 92 9.660 12.749 -5.903 1.00 42.21 H new ATOM 1413 N THR A 93 13.211 11.504 -4.138 1.00 63.41 N ATOM 1414 CA THR A 93 13.921 10.255 -4.383 1.00 45.24 C ATOM 1415 C THR A 93 14.670 9.795 -3.138 1.00 10.13 C ATOM 1416 O THR A 93 15.230 8.699 -3.106 1.00 74.44 O ATOM 1417 CB THR A 93 14.920 10.396 -5.547 1.00 62.33 C ATOM 1418 OG1 THR A 93 14.243 10.857 -6.722 1.00 65.42 O ATOM 1419 CG2 THR A 93 15.604 9.068 -5.837 1.00 3.25 C ATOM 0 H THR A 93 13.605 12.314 -4.617 1.00 63.41 H new ATOM 0 HA THR A 93 13.170 9.511 -4.647 1.00 45.24 H new ATOM 0 HB THR A 93 15.680 11.122 -5.258 1.00 62.33 H new ATOM 0 HG1 THR A 93 14.886 10.945 -7.456 1.00 65.42 H new ATOM 0 HG21 THR A 93 16.305 9.192 -6.663 1.00 3.25 H new ATOM 0 HG22 THR A 93 16.143 8.735 -4.950 1.00 3.25 H new ATOM 0 HG23 THR A 93 14.854 8.324 -6.106 1.00 3.25 H new ATOM 1427 N THR A 94 14.677 10.640 -2.110 1.00 75.32 N ATOM 1428 CA THR A 94 15.357 10.319 -0.863 1.00 64.13 C ATOM 1429 C THR A 94 14.474 9.470 0.043 1.00 20.44 C ATOM 1430 O THR A 94 14.407 9.699 1.251 1.00 31.02 O ATOM 1431 CB THR A 94 15.773 11.595 -0.107 1.00 64.40 C ATOM 1432 OG1 THR A 94 16.771 11.281 0.872 1.00 14.51 O ATOM 1433 CG2 THR A 94 14.573 12.236 0.574 1.00 20.15 C ATOM 0 H THR A 94 14.219 11.551 -2.118 1.00 75.32 H new ATOM 0 HA THR A 94 16.251 9.753 -1.127 1.00 64.13 H new ATOM 0 HB THR A 94 16.182 12.302 -0.829 1.00 64.40 H new ATOM 0 HG1 THR A 94 16.420 10.608 1.492 1.00 14.51 H new ATOM 0 HG21 THR A 94 14.891 13.135 1.101 1.00 20.15 H new ATOM 0 HG22 THR A 94 13.827 12.500 -0.176 1.00 20.15 H new ATOM 0 HG23 THR A 94 14.140 11.533 1.285 1.00 20.15 H new ATOM 1441 N GLU A 95 13.798 8.490 -0.546 1.00 74.23 N ATOM 1442 CA GLU A 95 12.917 7.607 0.210 1.00 72.23 C ATOM 1443 C GLU A 95 13.559 7.200 1.533 1.00 45.15 C ATOM 1444 O GLU A 95 14.534 6.447 1.557 1.00 70.51 O ATOM 1445 CB GLU A 95 12.581 6.360 -0.610 1.00 54.25 C ATOM 1446 CG GLU A 95 13.786 5.744 -1.304 1.00 14.43 C ATOM 1447 CD GLU A 95 13.894 6.155 -2.760 1.00 23.41 C ATOM 1448 OE1 GLU A 95 13.180 7.097 -3.165 1.00 23.51 O ATOM 1449 OE2 GLU A 95 14.692 5.536 -3.493 1.00 42.24 O ATOM 0 H GLU A 95 13.843 8.287 -1.545 1.00 74.23 H new ATOM 0 HA GLU A 95 11.997 8.151 0.424 1.00 72.23 H new ATOM 0 HB2 GLU A 95 12.130 5.615 0.046 1.00 54.25 H new ATOM 0 HB3 GLU A 95 11.834 6.619 -1.360 1.00 54.25 H new ATOM 0 HG2 GLU A 95 14.694 6.040 -0.778 1.00 14.43 H new ATOM 0 HG3 GLU A 95 13.721 4.658 -1.241 1.00 14.43 H new ATOM 1456 N LEU A 96 13.008 7.705 2.631 1.00 43.43 N ATOM 1457 CA LEU A 96 13.528 7.396 3.959 1.00 53.23 C ATOM 1458 C LEU A 96 12.674 6.333 4.643 1.00 2.04 C ATOM 1459 O LEU A 96 13.098 5.713 5.618 1.00 4.34 O ATOM 1460 CB LEU A 96 13.574 8.661 4.817 1.00 22.34 C ATOM 1461 CG LEU A 96 12.411 9.638 4.636 1.00 72.23 C ATOM 1462 CD1 LEU A 96 12.600 10.462 3.371 1.00 72.41 C ATOM 1463 CD2 LEU A 96 11.087 8.889 4.594 1.00 53.32 C ATOM 0 H LEU A 96 12.202 8.330 2.629 1.00 43.43 H new ATOM 0 HA LEU A 96 14.539 7.005 3.846 1.00 53.23 H new ATOM 0 HB2 LEU A 96 13.613 8.364 5.865 1.00 22.34 H new ATOM 0 HB3 LEU A 96 14.503 9.189 4.601 1.00 22.34 H new ATOM 0 HG LEU A 96 12.394 10.317 5.489 1.00 72.23 H new ATOM 0 HD11 LEU A 96 11.764 11.152 3.258 1.00 72.41 H new ATOM 0 HD12 LEU A 96 13.530 11.027 3.440 1.00 72.41 H new ATOM 0 HD13 LEU A 96 12.642 9.798 2.507 1.00 72.41 H new ATOM 0 HD21 LEU A 96 10.271 9.600 4.465 1.00 53.32 H new ATOM 0 HD22 LEU A 96 11.092 8.187 3.760 1.00 53.32 H new ATOM 0 HD23 LEU A 96 10.948 8.343 5.527 1.00 53.32 H new ATOM 1475 N VAL A 97 11.467 6.127 4.125 1.00 72.31 N ATOM 1476 CA VAL A 97 10.554 5.137 4.684 1.00 50.31 C ATOM 1477 C VAL A 97 9.325 4.962 3.798 1.00 21.45 C ATOM 1478 O VAL A 97 9.044 5.794 2.937 1.00 73.02 O ATOM 1479 CB VAL A 97 10.100 5.531 6.102 1.00 72.55 C ATOM 1480 CG1 VAL A 97 8.944 6.517 6.039 1.00 62.43 C ATOM 1481 CG2 VAL A 97 9.713 4.294 6.900 1.00 74.02 C ATOM 0 H VAL A 97 11.099 6.633 3.319 1.00 72.31 H new ATOM 0 HA VAL A 97 11.099 4.195 4.734 1.00 50.31 H new ATOM 0 HB VAL A 97 10.933 6.017 6.609 1.00 72.55 H new ATOM 0 HG11 VAL A 97 8.637 6.783 7.051 1.00 62.43 H new ATOM 0 HG12 VAL A 97 9.260 7.415 5.507 1.00 62.43 H new ATOM 0 HG13 VAL A 97 8.105 6.061 5.514 1.00 62.43 H new ATOM 0 HG21 VAL A 97 9.395 4.591 7.899 1.00 74.02 H new ATOM 0 HG22 VAL A 97 8.895 3.778 6.397 1.00 74.02 H new ATOM 0 HG23 VAL A 97 10.571 3.627 6.976 1.00 74.02 H new ATOM 1491 N ARG A 98 8.596 3.873 4.018 1.00 34.31 N ATOM 1492 CA ARG A 98 7.396 3.587 3.241 1.00 54.53 C ATOM 1493 C ARG A 98 6.211 3.296 4.156 1.00 75.33 C ATOM 1494 O ARG A 98 6.385 2.887 5.304 1.00 32.41 O ATOM 1495 CB ARG A 98 7.638 2.398 2.308 1.00 1.43 C ATOM 1496 CG ARG A 98 7.783 1.072 3.037 1.00 53.35 C ATOM 1497 CD ARG A 98 9.201 0.869 3.546 1.00 11.01 C ATOM 1498 NE ARG A 98 9.527 -0.546 3.707 1.00 54.24 N ATOM 1499 CZ ARG A 98 9.840 -1.347 2.695 1.00 33.41 C ATOM 1500 NH1 ARG A 98 9.868 -0.875 1.456 1.00 63.24 N ATOM 1501 NH2 ARG A 98 10.125 -2.624 2.920 1.00 20.05 N ATOM 0 H ARG A 98 8.815 3.174 4.728 1.00 34.31 H new ATOM 0 HA ARG A 98 7.163 4.468 2.643 1.00 54.53 H new ATOM 0 HB2 ARG A 98 6.810 2.326 1.602 1.00 1.43 H new ATOM 0 HB3 ARG A 98 8.540 2.583 1.724 1.00 1.43 H new ATOM 0 HG2 ARG A 98 7.086 1.038 3.874 1.00 53.35 H new ATOM 0 HG3 ARG A 98 7.516 0.256 2.366 1.00 53.35 H new ATOM 0 HD2 ARG A 98 9.905 1.326 2.851 1.00 11.01 H new ATOM 0 HD3 ARG A 98 9.320 1.380 4.502 1.00 11.01 H new ATOM 0 HE ARG A 98 9.513 -0.940 4.648 1.00 54.24 H new ATOM 0 HH11 ARG A 98 9.649 0.105 1.279 1.00 63.24 H new ATOM 0 HH12 ARG A 98 10.109 -1.492 0.680 1.00 63.24 H new ATOM 0 HH21 ARG A 98 10.104 -2.991 3.871 1.00 20.05 H new ATOM 0 HH22 ARG A 98 10.365 -3.238 2.142 1.00 20.05 H new ATOM 1515 N VAL A 99 5.005 3.510 3.639 1.00 35.34 N ATOM 1516 CA VAL A 99 3.790 3.269 4.410 1.00 2.51 C ATOM 1517 C VAL A 99 3.020 2.073 3.863 1.00 33.01 C ATOM 1518 O VAL A 99 2.912 1.891 2.650 1.00 32.53 O ATOM 1519 CB VAL A 99 2.869 4.504 4.404 1.00 4.22 C ATOM 1520 CG1 VAL A 99 1.455 4.118 4.813 1.00 63.13 C ATOM 1521 CG2 VAL A 99 3.421 5.585 5.322 1.00 54.23 C ATOM 0 H VAL A 99 4.843 3.849 2.691 1.00 35.34 H new ATOM 0 HA VAL A 99 4.100 3.060 5.434 1.00 2.51 H new ATOM 0 HB VAL A 99 2.833 4.903 3.390 1.00 4.22 H new ATOM 0 HG11 VAL A 99 0.819 5.003 4.803 1.00 63.13 H new ATOM 0 HG12 VAL A 99 1.062 3.381 4.113 1.00 63.13 H new ATOM 0 HG13 VAL A 99 1.470 3.693 5.817 1.00 63.13 H new ATOM 0 HG21 VAL A 99 2.758 6.450 5.305 1.00 54.23 H new ATOM 0 HG22 VAL A 99 3.489 5.199 6.339 1.00 54.23 H new ATOM 0 HG23 VAL A 99 4.413 5.881 4.980 1.00 54.23 H new ATOM 1531 N THR A 100 2.485 1.257 4.767 1.00 61.13 N ATOM 1532 CA THR A 100 1.726 0.076 4.376 1.00 23.30 C ATOM 1533 C THR A 100 0.286 0.161 4.868 1.00 13.43 C ATOM 1534 O THR A 100 -0.065 1.053 5.640 1.00 65.53 O ATOM 1535 CB THR A 100 2.368 -1.212 4.925 1.00 53.11 C ATOM 1536 OG1 THR A 100 2.268 -1.239 6.352 1.00 23.54 O ATOM 1537 CG2 THR A 100 3.829 -1.306 4.512 1.00 44.34 C ATOM 0 H THR A 100 2.564 1.393 5.775 1.00 61.13 H new ATOM 0 HA THR A 100 1.734 0.042 3.287 1.00 23.30 H new ATOM 0 HB THR A 100 1.833 -2.065 4.508 1.00 53.11 H new ATOM 0 HG1 THR A 100 2.874 -0.571 6.735 1.00 23.54 H new ATOM 0 HG21 THR A 100 4.262 -2.223 4.911 1.00 44.34 H new ATOM 0 HG22 THR A 100 3.900 -1.315 3.424 1.00 44.34 H new ATOM 0 HG23 THR A 100 4.374 -0.447 4.904 1.00 44.34 H new ATOM 1545 N ASN A 101 -0.545 -0.772 4.416 1.00 34.13 N ATOM 1546 CA ASN A 101 -1.949 -0.801 4.811 1.00 31.31 C ATOM 1547 C ASN A 101 -2.707 0.382 4.216 1.00 62.23 C ATOM 1548 O ASN A 101 -2.134 1.202 3.497 1.00 20.11 O ATOM 1549 CB ASN A 101 -2.072 -0.787 6.335 1.00 1.14 C ATOM 1550 CG ASN A 101 -3.014 -1.856 6.850 1.00 20.42 C ATOM 1551 OD1 ASN A 101 -3.973 -2.233 6.175 1.00 64.54 O ATOM 1552 ND2 ASN A 101 -2.747 -2.351 8.053 1.00 60.33 N ATOM 0 H ASN A 101 -0.271 -1.518 3.776 1.00 34.13 H new ATOM 0 HA ASN A 101 -2.390 -1.721 4.427 1.00 31.31 H new ATOM 0 HB2 ASN A 101 -1.086 -0.932 6.777 1.00 1.14 H new ATOM 0 HB3 ASN A 101 -2.426 0.192 6.659 1.00 1.14 H new ATOM 0 HD21 ASN A 101 -3.347 -3.073 8.452 1.00 60.33 H new ATOM 0 HD22 ASN A 101 -1.942 -2.010 8.578 1.00 60.33 H new ATOM 1559 N LEU A 102 -3.997 0.464 4.522 1.00 12.14 N ATOM 1560 CA LEU A 102 -4.834 1.548 4.019 1.00 12.20 C ATOM 1561 C LEU A 102 -5.145 1.354 2.538 1.00 71.22 C ATOM 1562 O LEU A 102 -6.300 1.174 2.154 1.00 22.13 O ATOM 1563 CB LEU A 102 -4.143 2.896 4.234 1.00 63.21 C ATOM 1564 CG LEU A 102 -5.064 4.096 4.455 1.00 72.32 C ATOM 1565 CD1 LEU A 102 -6.055 4.226 3.309 1.00 51.11 C ATOM 1566 CD2 LEU A 102 -5.796 3.968 5.783 1.00 4.11 C ATOM 0 H LEU A 102 -4.486 -0.206 5.115 1.00 12.14 H new ATOM 0 HA LEU A 102 -5.772 1.536 4.573 1.00 12.20 H new ATOM 0 HB2 LEU A 102 -3.481 2.809 5.095 1.00 63.21 H new ATOM 0 HB3 LEU A 102 -3.514 3.101 3.368 1.00 63.21 H new ATOM 0 HG LEU A 102 -4.453 4.998 4.484 1.00 72.32 H new ATOM 0 HD11 LEU A 102 -6.702 5.085 3.483 1.00 51.11 H new ATOM 0 HD12 LEU A 102 -5.513 4.364 2.373 1.00 51.11 H new ATOM 0 HD13 LEU A 102 -6.661 3.322 3.248 1.00 51.11 H new ATOM 0 HD21 LEU A 102 -6.447 4.831 5.924 1.00 4.11 H new ATOM 0 HD22 LEU A 102 -6.395 3.057 5.782 1.00 4.11 H new ATOM 0 HD23 LEU A 102 -5.071 3.924 6.595 1.00 4.11 H new ATOM 1578 N ASN A 103 -4.105 1.390 1.711 1.00 0.13 N ATOM 1579 CA ASN A 103 -4.268 1.217 0.272 1.00 44.03 C ATOM 1580 C ASN A 103 -4.213 -0.260 -0.107 1.00 13.41 C ATOM 1581 O ASN A 103 -3.634 -1.087 0.597 1.00 42.44 O ATOM 1582 CB ASN A 103 -3.181 1.988 -0.481 1.00 32.03 C ATOM 1583 CG ASN A 103 -1.783 1.581 -0.057 1.00 2.14 C ATOM 1584 OD1 ASN A 103 -1.132 0.773 -0.718 1.00 51.02 O ATOM 1585 ND2 ASN A 103 -1.316 2.142 1.053 1.00 11.51 N ATOM 0 H ASN A 103 -3.142 1.537 2.012 1.00 0.13 H new ATOM 0 HA ASN A 103 -5.245 1.611 -0.008 1.00 44.03 H new ATOM 0 HB2 ASN A 103 -3.296 1.820 -1.552 1.00 32.03 H new ATOM 0 HB3 ASN A 103 -3.313 3.056 -0.310 1.00 32.03 H new ATOM 0 HD21 ASN A 103 -0.382 1.907 1.389 1.00 11.51 H new ATOM 0 HD22 ASN A 103 -1.892 2.807 1.569 1.00 11.51 H new ATOM 1592 N PRO A 104 -4.832 -0.601 -1.247 1.00 12.24 N ATOM 1593 CA PRO A 104 -4.869 -1.979 -1.747 1.00 12.10 C ATOM 1594 C PRO A 104 -3.504 -2.456 -2.231 1.00 20.13 C ATOM 1595 O PRO A 104 -3.063 -2.100 -3.324 1.00 0.21 O ATOM 1596 CB PRO A 104 -5.855 -1.906 -2.915 1.00 72.21 C ATOM 1597 CG PRO A 104 -5.800 -0.489 -3.370 1.00 22.24 C ATOM 1598 CD PRO A 104 -5.545 0.332 -2.136 1.00 12.30 C ATOM 0 HA PRO A 104 -5.159 -2.687 -0.971 1.00 12.10 H new ATOM 0 HB2 PRO A 104 -5.572 -2.590 -3.715 1.00 72.21 H new ATOM 0 HB3 PRO A 104 -6.862 -2.182 -2.601 1.00 72.21 H new ATOM 0 HG2 PRO A 104 -5.008 -0.345 -4.105 1.00 22.24 H new ATOM 0 HG3 PRO A 104 -6.735 -0.196 -3.848 1.00 22.24 H new ATOM 0 HD2 PRO A 104 -4.945 1.214 -2.357 1.00 12.30 H new ATOM 0 HD3 PRO A 104 -6.474 0.683 -1.688 1.00 12.30 H new ATOM 1606 N ILE A 105 -2.839 -3.262 -1.411 1.00 23.43 N ATOM 1607 CA ILE A 105 -1.525 -3.789 -1.756 1.00 23.10 C ATOM 1608 C ILE A 105 -1.589 -5.287 -2.035 1.00 30.44 C ATOM 1609 O ILE A 105 -1.819 -6.088 -1.129 1.00 32.20 O ATOM 1610 CB ILE A 105 -0.502 -3.531 -0.635 1.00 5.14 C ATOM 1611 CG1 ILE A 105 -0.397 -2.032 -0.346 1.00 10.25 C ATOM 1612 CG2 ILE A 105 0.857 -4.098 -1.017 1.00 64.42 C ATOM 1613 CD1 ILE A 105 -0.871 -1.649 1.039 1.00 52.15 C ATOM 0 H ILE A 105 -3.189 -3.565 -0.502 1.00 23.43 H new ATOM 0 HA ILE A 105 -1.203 -3.267 -2.657 1.00 23.10 H new ATOM 0 HB ILE A 105 -0.843 -4.034 0.270 1.00 5.14 H new ATOM 0 HG12 ILE A 105 0.640 -1.719 -0.466 1.00 10.25 H new ATOM 0 HG13 ILE A 105 -0.982 -1.486 -1.086 1.00 10.25 H new ATOM 0 HG21 ILE A 105 1.569 -3.908 -0.214 1.00 64.42 H new ATOM 0 HG22 ILE A 105 0.771 -5.173 -1.178 1.00 64.42 H new ATOM 0 HG23 ILE A 105 1.206 -3.621 -1.933 1.00 64.42 H new ATOM 0 HD11 ILE A 105 -0.768 -0.572 1.174 1.00 52.15 H new ATOM 0 HD12 ILE A 105 -1.917 -1.931 1.156 1.00 52.15 H new ATOM 0 HD13 ILE A 105 -0.270 -2.168 1.786 1.00 52.15 H new ATOM 1625 N TYR A 106 -1.383 -5.659 -3.293 1.00 52.43 N ATOM 1626 CA TYR A 106 -1.417 -7.060 -3.692 1.00 33.42 C ATOM 1627 C TYR A 106 -0.222 -7.405 -4.575 1.00 61.42 C ATOM 1628 O TYR A 106 0.382 -8.469 -4.434 1.00 1.21 O ATOM 1629 CB TYR A 106 -2.719 -7.369 -4.433 1.00 55.35 C ATOM 1630 CG TYR A 106 -3.908 -6.591 -3.919 1.00 33.11 C ATOM 1631 CD1 TYR A 106 -4.267 -6.640 -2.577 1.00 21.04 C ATOM 1632 CD2 TYR A 106 -4.675 -5.807 -4.774 1.00 65.41 C ATOM 1633 CE1 TYR A 106 -5.354 -5.930 -2.102 1.00 73.32 C ATOM 1634 CE2 TYR A 106 -5.761 -5.094 -4.307 1.00 34.14 C ATOM 1635 CZ TYR A 106 -6.097 -5.158 -2.970 1.00 71.33 C ATOM 1636 OH TYR A 106 -7.180 -4.451 -2.503 1.00 3.13 O ATOM 0 H TYR A 106 -1.190 -5.009 -4.055 1.00 52.43 H new ATOM 0 HA TYR A 106 -1.366 -7.669 -2.790 1.00 33.42 H new ATOM 0 HB2 TYR A 106 -2.584 -7.152 -5.493 1.00 55.35 H new ATOM 0 HB3 TYR A 106 -2.930 -8.435 -4.350 1.00 55.35 H new ATOM 0 HD1 TYR A 106 -3.687 -7.243 -1.894 1.00 21.04 H new ATOM 0 HD2 TYR A 106 -4.417 -5.755 -5.821 1.00 65.41 H new ATOM 0 HE1 TYR A 106 -5.620 -5.980 -1.056 1.00 73.32 H new ATOM 0 HE2 TYR A 106 -6.345 -4.489 -4.985 1.00 34.14 H new ATOM 0 HH TYR A 106 -7.029 -4.202 -1.567 1.00 3.13 H new ATOM 1646 N ALA A 107 0.114 -6.498 -5.486 1.00 14.21 N ATOM 1647 CA ALA A 107 1.238 -6.703 -6.391 1.00 41.32 C ATOM 1648 C ALA A 107 2.500 -7.079 -5.622 1.00 32.01 C ATOM 1649 O ALA A 107 2.797 -6.500 -4.577 1.00 64.45 O ATOM 1650 CB ALA A 107 1.479 -5.454 -7.226 1.00 22.10 C ATOM 0 H ALA A 107 -0.377 -5.613 -5.617 1.00 14.21 H new ATOM 0 HA ALA A 107 0.990 -7.529 -7.057 1.00 41.32 H new ATOM 0 HB1 ALA A 107 2.321 -5.622 -7.897 1.00 22.10 H new ATOM 0 HB2 ALA A 107 0.587 -5.230 -7.812 1.00 22.10 H new ATOM 0 HB3 ALA A 107 1.701 -4.614 -6.568 1.00 22.10 H new ATOM 1656 N ASP A 108 3.237 -8.052 -6.145 1.00 64.21 N ATOM 1657 CA ASP A 108 4.468 -8.506 -5.508 1.00 4.34 C ATOM 1658 C ASP A 108 5.691 -7.953 -6.232 1.00 61.44 C ATOM 1659 O ASP A 108 6.475 -8.705 -6.812 1.00 15.05 O ATOM 1660 CB ASP A 108 4.522 -10.034 -5.483 1.00 75.24 C ATOM 1661 CG ASP A 108 4.131 -10.648 -6.813 1.00 62.31 C ATOM 1662 OD1 ASP A 108 4.952 -10.598 -7.753 1.00 1.35 O ATOM 1663 OD2 ASP A 108 3.005 -11.180 -6.914 1.00 64.23 O ATOM 0 H ASP A 108 3.004 -8.542 -7.009 1.00 64.21 H new ATOM 0 HA ASP A 108 4.476 -8.134 -4.484 1.00 4.34 H new ATOM 0 HB2 ASP A 108 5.530 -10.355 -5.220 1.00 75.24 H new ATOM 0 HB3 ASP A 108 3.856 -10.406 -4.704 1.00 75.24 H new ATOM 1668 N GLY A 109 5.848 -6.633 -6.197 1.00 0.11 N ATOM 1669 CA GLY A 109 6.977 -6.002 -6.855 1.00 63.05 C ATOM 1670 C GLY A 109 6.560 -5.175 -8.055 1.00 11.21 C ATOM 1671 O GLY A 109 6.746 -5.591 -9.198 1.00 43.23 O ATOM 0 H GLY A 109 5.213 -5.989 -5.725 1.00 0.11 H new ATOM 0 HA2 GLY A 109 7.499 -5.364 -6.142 1.00 63.05 H new ATOM 0 HA3 GLY A 109 7.683 -6.769 -7.174 1.00 63.05 H new ATOM 1675 N SER A 110 5.993 -4.002 -7.795 1.00 2.22 N ATOM 1676 CA SER A 110 5.544 -3.116 -8.863 1.00 3.25 C ATOM 1677 C SER A 110 6.677 -2.829 -9.843 1.00 62.20 C ATOM 1678 O SER A 110 6.441 -2.581 -11.026 1.00 2.32 O ATOM 1679 CB SER A 110 5.015 -1.805 -8.279 1.00 25.34 C ATOM 1680 OG SER A 110 3.604 -1.729 -8.388 1.00 64.23 O ATOM 0 H SER A 110 5.833 -3.643 -6.854 1.00 2.22 H new ATOM 0 HA SER A 110 4.739 -3.616 -9.402 1.00 3.25 H new ATOM 0 HB2 SER A 110 5.306 -1.726 -7.232 1.00 25.34 H new ATOM 0 HB3 SER A 110 5.469 -0.962 -8.800 1.00 25.34 H new ATOM 0 HG SER A 110 3.292 -0.882 -8.006 1.00 64.23 H new ATOM 1686 N HIS A 111 7.908 -2.865 -9.342 1.00 35.11 N ATOM 1687 CA HIS A 111 9.079 -2.609 -10.173 1.00 52.12 C ATOM 1688 C HIS A 111 9.100 -3.541 -11.383 1.00 5.50 C ATOM 1689 O HIS A 111 8.276 -4.448 -11.495 1.00 21.12 O ATOM 1690 CB HIS A 111 10.359 -2.786 -9.357 1.00 1.32 C ATOM 1691 CG HIS A 111 10.386 -1.967 -8.103 1.00 45.31 C ATOM 1692 ND1 HIS A 111 10.329 -2.519 -6.841 1.00 43.54 N ATOM 1693 CD2 HIS A 111 10.468 -0.627 -7.922 1.00 42.04 C ATOM 1694 CE1 HIS A 111 10.373 -1.555 -5.938 1.00 70.23 C ATOM 1695 NE2 HIS A 111 10.458 -0.397 -6.568 1.00 72.34 N ATOM 0 H HIS A 111 8.120 -3.069 -8.365 1.00 35.11 H new ATOM 0 HA HIS A 111 9.024 -1.580 -10.529 1.00 52.12 H new ATOM 0 HB2 HIS A 111 10.472 -3.838 -9.097 1.00 1.32 H new ATOM 0 HB3 HIS A 111 11.215 -2.517 -9.976 1.00 1.32 H new ATOM 0 HD2 HIS A 111 10.530 0.121 -8.698 1.00 42.04 H new ATOM 0 HE1 HIS A 111 10.344 -1.691 -4.867 1.00 70.23 H new ATOM 0 HE2 HIS A 111 10.508 0.519 -6.122 1.00 72.34 H new ATOM 1703 N HIS A 112 10.049 -3.307 -12.285 1.00 75.44 N ATOM 1704 CA HIS A 112 10.178 -4.126 -13.486 1.00 21.24 C ATOM 1705 C HIS A 112 8.937 -4.000 -14.365 1.00 51.32 C ATOM 1706 O HIS A 112 7.923 -4.656 -14.124 1.00 54.33 O ATOM 1707 CB HIS A 112 10.403 -5.590 -13.109 1.00 52.04 C ATOM 1708 CG HIS A 112 11.476 -6.258 -13.915 1.00 0.35 C ATOM 1709 ND1 HIS A 112 12.747 -5.740 -14.050 1.00 12.11 N ATOM 1710 CD2 HIS A 112 11.462 -7.408 -14.627 1.00 75.21 C ATOM 1711 CE1 HIS A 112 13.467 -6.542 -14.814 1.00 63.43 C ATOM 1712 NE2 HIS A 112 12.711 -7.563 -15.176 1.00 50.40 N ATOM 0 H HIS A 112 10.738 -2.559 -12.207 1.00 75.44 H new ATOM 0 HA HIS A 112 11.039 -3.767 -14.050 1.00 21.24 H new ATOM 0 HB2 HIS A 112 10.664 -5.649 -12.052 1.00 52.04 H new ATOM 0 HB3 HIS A 112 9.469 -6.137 -13.238 1.00 52.04 H new ATOM 0 HD2 HIS A 112 10.624 -8.080 -14.742 1.00 75.21 H new ATOM 0 HE1 HIS A 112 14.499 -6.389 -15.095 1.00 63.43 H new ATOM 0 HE2 HIS A 112 13.007 -8.340 -15.767 1.00 50.40 H new ATOM 1720 N HIS A 113 9.023 -3.151 -15.385 1.00 44.11 N ATOM 1721 CA HIS A 113 7.907 -2.938 -16.299 1.00 73.04 C ATOM 1722 C HIS A 113 8.230 -3.487 -17.686 1.00 52.14 C ATOM 1723 O HIS A 113 7.350 -3.989 -18.387 1.00 1.54 O ATOM 1724 CB HIS A 113 7.573 -1.450 -16.392 1.00 14.02 C ATOM 1725 CG HIS A 113 8.774 -0.576 -16.585 1.00 53.01 C ATOM 1726 ND1 HIS A 113 9.286 -0.264 -17.827 1.00 64.51 N ATOM 1727 CD2 HIS A 113 9.565 0.053 -15.684 1.00 14.24 C ATOM 1728 CE1 HIS A 113 10.340 0.519 -17.681 1.00 71.35 C ATOM 1729 NE2 HIS A 113 10.530 0.727 -16.392 1.00 64.31 N ATOM 0 H HIS A 113 9.854 -2.600 -15.599 1.00 44.11 H new ATOM 0 HA HIS A 113 7.041 -3.472 -15.908 1.00 73.04 H new ATOM 0 HB2 HIS A 113 6.883 -1.292 -17.221 1.00 14.02 H new ATOM 0 HB3 HIS A 113 7.055 -1.145 -15.483 1.00 14.02 H new ATOM 0 HD2 HIS A 113 9.457 0.029 -14.610 1.00 14.24 H new ATOM 0 HE1 HIS A 113 10.944 0.921 -18.481 1.00 71.35 H new ATOM 0 HE2 HIS A 113 11.273 1.296 -15.987 1.00 64.31 H new ATOM 1737 N HIS A 114 9.497 -3.387 -18.077 1.00 33.21 N ATOM 1738 CA HIS A 114 9.935 -3.873 -19.380 1.00 14.32 C ATOM 1739 C HIS A 114 9.204 -3.146 -20.505 1.00 73.20 C ATOM 1740 O HIS A 114 8.401 -3.742 -21.225 1.00 20.14 O ATOM 1741 CB HIS A 114 9.698 -5.379 -19.493 1.00 61.43 C ATOM 1742 CG HIS A 114 10.363 -6.003 -20.681 1.00 32.32 C ATOM 1743 ND1 HIS A 114 11.590 -5.593 -21.158 1.00 61.23 N ATOM 1744 CD2 HIS A 114 9.964 -7.014 -21.489 1.00 2.30 C ATOM 1745 CE1 HIS A 114 11.918 -6.324 -22.209 1.00 35.43 C ATOM 1746 NE2 HIS A 114 10.947 -7.194 -22.431 1.00 45.22 N ATOM 0 H HIS A 114 10.238 -2.974 -17.510 1.00 33.21 H new ATOM 0 HA HIS A 114 11.002 -3.673 -19.474 1.00 14.32 H new ATOM 0 HB2 HIS A 114 10.061 -5.864 -18.587 1.00 61.43 H new ATOM 0 HB3 HIS A 114 8.626 -5.567 -19.547 1.00 61.43 H new ATOM 0 HD2 HIS A 114 9.044 -7.574 -21.408 1.00 2.30 H new ATOM 0 HE1 HIS A 114 12.825 -6.227 -22.788 1.00 35.43 H new ATOM 0 HE2 HIS A 114 10.931 -7.886 -23.180 1.00 45.22 H new ATOM 1754 N HIS A 115 9.486 -1.856 -20.651 1.00 3.21 N ATOM 1755 CA HIS A 115 8.854 -1.047 -21.688 1.00 64.45 C ATOM 1756 C HIS A 115 9.753 -0.942 -22.917 1.00 74.44 C ATOM 1757 O HIS A 115 10.732 -0.196 -22.921 1.00 41.14 O ATOM 1758 CB HIS A 115 8.538 0.350 -21.153 1.00 15.13 C ATOM 1759 CG HIS A 115 7.270 0.414 -20.358 1.00 73.44 C ATOM 1760 ND1 HIS A 115 7.000 1.417 -19.452 1.00 34.23 N ATOM 1761 CD2 HIS A 115 6.195 -0.409 -20.339 1.00 62.12 C ATOM 1762 CE1 HIS A 115 5.814 1.208 -18.908 1.00 53.13 C ATOM 1763 NE2 HIS A 115 5.305 0.106 -19.429 1.00 0.54 N ATOM 0 H HIS A 115 10.148 -1.348 -20.065 1.00 3.21 H new ATOM 0 HA HIS A 115 7.924 -1.535 -21.979 1.00 64.45 H new ATOM 0 HB2 HIS A 115 9.366 0.687 -20.529 1.00 15.13 H new ATOM 0 HB3 HIS A 115 8.467 1.044 -21.991 1.00 15.13 H new ATOM 0 HD2 HIS A 115 6.062 -1.304 -20.929 1.00 62.12 H new ATOM 0 HE1 HIS A 115 5.341 1.832 -18.164 1.00 53.13 H new ATOM 0 HE2 HIS A 115 4.398 -0.297 -19.194 1.00 0.54 H new ATOM 1771 N HIS A 116 9.413 -1.696 -23.958 1.00 31.30 N ATOM 1772 CA HIS A 116 10.189 -1.688 -25.193 1.00 44.43 C ATOM 1773 C HIS A 116 9.489 -2.498 -26.280 1.00 52.31 C ATOM 1774 O HIS A 116 8.416 -3.043 -26.027 1.00 73.21 O ATOM 1775 CB HIS A 116 11.589 -2.250 -24.944 1.00 73.12 C ATOM 1776 CG HIS A 116 12.688 -1.358 -25.434 1.00 40.23 C ATOM 1777 ND1 HIS A 116 13.888 -1.208 -24.771 1.00 32.42 N ATOM 1778 CD2 HIS A 116 12.765 -0.568 -26.530 1.00 41.43 C ATOM 1779 CE1 HIS A 116 14.655 -0.363 -25.437 1.00 13.14 C ATOM 1780 NE2 HIS A 116 13.996 0.040 -26.509 1.00 24.15 N ATOM 0 H HIS A 116 8.606 -2.320 -23.971 1.00 31.30 H new ATOM 0 HA HIS A 116 10.275 -0.656 -25.532 1.00 44.43 H new ATOM 0 HB2 HIS A 116 11.719 -2.419 -23.875 1.00 73.12 H new ATOM 0 HB3 HIS A 116 11.674 -3.220 -25.433 1.00 73.12 H new ATOM 0 HD2 HIS A 116 12.000 -0.440 -27.282 1.00 41.43 H new ATOM 0 HE1 HIS A 116 15.650 -0.054 -25.154 1.00 13.14 H new ATOM 0 HE2 HIS A 116 14.345 0.696 -27.208 1.00 24.15 H new TER 1788 HIS A 116 HETATM 1789 C1 B6D A 117 22.102 36.184 3.776 1.00 0.25 C HETATM 1790 N2 B6D A 117 23.317 34.048 3.657 1.00 34.12 N HETATM 1791 C3 B6D A 117 23.188 35.245 5.846 1.00 2.42 C HETATM 1792 C4 B6D A 117 23.168 36.651 6.476 1.00 24.21 C HETATM 1793 C5 B6D A 117 22.014 37.497 5.900 1.00 62.33 C HETATM 1794 C6 B6D A 117 22.042 38.960 6.338 1.00 14.33 C HETATM 1795 C7 B6D A 117 22.224 33.226 3.508 1.00 55.11 C HETATM 1796 C8 B6D A 117 22.449 31.956 2.650 1.00 1.01 C HETATM 1797 C9 B6D A 117 23.065 37.298 10.286 1.00 34.43 C HETATM 1798 C2 B6D A 117 23.294 35.366 4.309 1.00 12.50 C HETATM 1799 O7 B6D A 117 21.128 33.462 3.983 1.00 21.24 O HETATM 1800 N4 B6D A 117 23.042 36.561 7.938 1.00 74.34 N HETATM 1801 C10 B6D A 117 23.410 37.558 8.806 1.00 13.11 C HETATM 1802 O10 B6D A 117 23.950 38.595 8.462 1.00 53.24 O HETATM 1803 O5 B6D A 117 22.110 37.513 4.421 1.00 42.20 O HETATM 1804 O3 B6D A 117 24.362 34.517 6.364 1.00 11.13 O HETATM 0 HN4 B6D A 117 22.657 35.703 8.332 1.00 74.34 H new HETATM 0 HN2 B6D A 117 24.209 33.719 3.288 1.00 34.12 H new HETATM 0 H9B B6D A 117 21.987 37.176 10.392 1.00 34.43 H new HETATM 0 H9A B6D A 117 23.568 36.392 10.623 1.00 34.43 H new HETATM 0 H9 B6D A 117 23.396 38.143 10.891 1.00 34.43 H new HETATM 0 H8B B6D A 117 22.752 32.246 1.644 1.00 1.01 H new HETATM 0 H8A B6D A 117 23.230 31.345 3.102 1.00 1.01 H new HETATM 0 H8 B6D A 117 21.524 31.382 2.599 1.00 1.01 H new HETATM 0 H6B B6D A 117 21.972 39.016 7.424 1.00 14.33 H new HETATM 0 H6A B6D A 117 22.974 39.420 6.010 1.00 14.33 H new HETATM 0 H6 B6D A 117 21.200 39.489 5.892 1.00 14.33 H new HETATM 0 H5 B6D A 117 21.099 37.035 6.271 1.00 62.33 H new HETATM 0 H4 B6D A 117 24.111 37.140 6.232 1.00 24.21 H new HETATM 0 H3 B6D A 117 22.272 34.710 6.098 1.00 2.42 H new HETATM 0 H2 B6D A 117 24.232 35.870 4.076 1.00 12.50 H new HETATM 1821 C1 A2G A 118 24.066 33.474 7.381 1.00 54.44 C HETATM 1822 C2 A2G A 118 25.353 33.138 8.149 1.00 63.24 C HETATM 1823 C3 A2G A 118 26.399 32.627 7.139 1.00 15.14 C HETATM 1824 C4 A2G A 118 25.876 31.307 6.421 1.00 1.41 C HETATM 1825 C5 A2G A 118 24.507 31.554 5.824 1.00 50.02 C HETATM 1826 C6 A2G A 118 23.818 30.358 5.152 1.00 12.14 C HETATM 1827 C7 A2G A 118 25.643 34.396 10.291 1.00 63.43 C HETATM 1828 C8 A2G A 118 26.129 35.713 10.923 1.00 45.12 C HETATM 1829 O A2G A 118 23.569 32.218 6.772 1.00 44.42 O HETATM 1830 O3 A2G A 118 27.665 32.417 7.773 1.00 54.45 O HETATM 1831 O4 A2G A 118 25.752 30.246 7.437 1.00 72.41 O HETATM 1832 O6 A2G A 118 22.396 30.519 5.165 1.00 14.03 O HETATM 1833 O7 A2G A 118 25.159 33.514 10.981 1.00 71.40 O HETATM 1834 N2 A2G A 118 25.818 34.292 8.932 1.00 72.22 N HETATM 0 HO3 A2G A 118 28.312 32.091 7.113 1.00 54.45 H new HETATM 0 HN2 A2G A 118 26.293 35.051 8.444 1.00 72.22 H new HETATM 0 H8B A2G A 118 27.197 35.832 10.741 1.00 45.12 H new HETATM 0 H8A A2G A 118 25.590 36.550 10.479 1.00 45.12 H new HETATM 0 H8 A2G A 118 25.944 35.691 11.997 1.00 45.12 H new HETATM 0 H6 A2G A 118 24.089 29.438 5.670 1.00 12.14 H new HETATM 0 H5 A2G A 118 24.746 32.237 5.009 1.00 50.02 H new HETATM 0 H4 A2G A 118 26.572 31.019 5.634 1.00 1.41 H new HETATM 0 H3 A2G A 118 26.544 33.390 6.374 1.00 15.14 H new HETATM 0 H2 A2G A 118 25.169 32.350 8.879 1.00 63.24 H new HETATM 0 H15 A2G A 118 22.156 31.262 5.758 1.00 14.03 H new HETATM 0 H14 A2G A 118 24.168 30.261 4.124 1.00 12.14 H new HETATM 1848 C1 A2G A 119 26.194 28.895 7.004 1.00 54.45 C HETATM 1849 C2 A2G A 119 25.439 27.831 7.816 1.00 32.21 C HETATM 1850 C3 A2G A 119 25.753 28.050 9.308 1.00 15.43 C HETATM 1851 C4 A2G A 119 27.312 27.883 9.577 1.00 35.40 C HETATM 1852 C5 A2G A 119 28.094 28.779 8.641 1.00 64.11 C HETATM 1853 C6 A2G A 119 29.625 28.689 8.715 1.00 41.42 C HETATM 1854 C7 A2G A 119 23.234 26.725 7.407 1.00 23.55 C HETATM 1855 C8 A2G A 119 21.773 26.949 6.971 1.00 4.01 C HETATM 1856 O A2G A 119 27.643 28.679 7.225 1.00 71.12 O HETATM 1857 O3 A2G A 119 24.977 27.172 10.130 1.00 72.24 O HETATM 1858 O4 A2G A 119 27.682 26.484 9.293 1.00 52.45 O HETATM 1859 O6 A2G A 119 30.229 29.859 8.154 1.00 73.02 O HETATM 1860 O7 A2G A 119 23.646 25.604 7.654 1.00 30.52 O HETATM 1861 N2 A2G A 119 24.000 27.860 7.514 1.00 65.04 N HETATM 0 HO3 A2G A 119 25.195 27.329 11.073 1.00 72.24 H new HETATM 0 HN2 A2G A 119 23.550 28.765 7.378 1.00 65.04 H new HETATM 0 H8B A2G A 119 21.271 27.591 7.695 1.00 4.01 H new HETATM 0 H8A A2G A 119 21.755 27.425 5.991 1.00 4.01 H new HETATM 0 H8 A2G A 119 21.258 25.990 6.918 1.00 4.01 H new HETATM 0 H6 A2G A 119 29.968 27.804 8.179 1.00 41.42 H new HETATM 0 H5 A2G A 119 27.850 29.767 9.032 1.00 64.11 H new HETATM 0 H4 A2G A 119 27.536 28.148 10.610 1.00 35.40 H new HETATM 0 H3 A2G A 119 25.476 29.070 9.575 1.00 15.43 H new HETATM 0 H2 A2G A 119 25.771 26.830 7.541 1.00 32.21 H new HETATM 0 H15 A2G A 119 31.204 29.783 8.212 1.00 73.02 H new HETATM 0 H14 A2G A 119 29.938 28.575 9.753 1.00 41.42 H new HETATM 1875 C1 A2G A 120 28.519 25.824 10.328 1.00 75.11 C HETATM 1876 C2 A2G A 120 29.381 24.739 9.665 1.00 72.35 C HETATM 1877 C3 A2G A 120 28.441 23.717 8.997 1.00 23.33 C HETATM 1878 C4 A2G A 120 27.507 23.029 10.087 1.00 64.04 C HETATM 1879 C5 A2G A 120 26.794 24.090 10.897 1.00 20.11 C HETATM 1880 C6 A2G A 120 25.903 23.601 12.048 1.00 11.50 C HETATM 1881 C7 A2G A 120 31.459 26.032 9.146 1.00 32.45 C HETATM 1882 C8 A2G A 120 32.347 26.592 8.021 1.00 54.13 C HETATM 1883 O A2G A 120 27.705 25.166 11.377 1.00 13.44 O HETATM 1884 O3 A2G A 120 29.184 22.747 8.250 1.00 23.24 O HETATM 1885 O4 A2G A 120 28.361 22.248 11.001 1.00 50.31 O HETATM 1886 O6 A2G A 120 24.839 24.527 12.293 1.00 24.04 O HETATM 1887 O7 A2G A 120 31.756 26.197 10.317 1.00 2.01 O HETATM 1888 N2 A2G A 120 30.351 25.330 8.733 1.00 14.40 N HETATM 0 HN2 A2G A 120 30.195 25.214 7.732 1.00 14.40 H new HETATM 0 H8B A2G A 120 32.716 25.771 7.406 1.00 54.13 H new HETATM 0 H8A A2G A 120 31.764 27.275 7.403 1.00 54.13 H new HETATM 0 H8 A2G A 120 33.191 27.127 8.456 1.00 54.13 H new HETATM 0 H6 A2G A 120 26.501 23.479 12.951 1.00 11.50 H new HETATM 0 H5 A2G A 120 26.103 24.498 10.159 1.00 20.11 H new HETATM 0 H4 A2G A 120 26.774 22.392 9.591 1.00 64.04 H new HETATM 0 H3 A2G A 120 27.800 24.245 8.291 1.00 23.33 H new HETATM 0 H2 A2G A 120 29.980 24.217 10.411 1.00 72.35 H new HETATM 0 H15 A2G A 120 24.281 24.197 13.028 1.00 24.04 H new HETATM 0 H14 A2G A 120 25.491 22.622 11.805 1.00 11.50 H new HETATM 1901 C1 A2G A 121 27.812 20.931 11.415 1.00 65.53 C HETATM 1902 C2 A2G A 121 28.353 20.572 12.808 1.00 52.30 C HETATM 1903 C3 A2G A 121 29.891 20.517 12.729 1.00 52.52 C HETATM 1904 C4 A2G A 121 30.353 19.394 11.702 1.00 50.33 C HETATM 1905 C5 A2G A 121 29.672 19.608 10.366 1.00 42.11 C HETATM 1906 C6 A2G A 121 29.949 18.566 9.272 1.00 23.04 C HETATM 1907 C7 A2G A 121 26.806 21.224 14.662 1.00 12.22 C HETATM 1908 C8 A2G A 121 26.377 22.365 15.603 1.00 62.52 C HETATM 1909 O A2G A 121 28.206 19.841 10.491 1.00 41.03 O HETATM 1910 O3 A2G A 121 30.464 20.315 14.025 1.00 52.52 O HETATM 1911 O4 A2G A 121 29.934 18.083 12.228 1.00 33.14 O HETATM 1912 O6 A2G A 121 28.795 17.752 9.045 1.00 52.30 O HETATM 1913 O7 A2G A 121 26.244 20.143 14.696 1.00 70.43 O HETATM 1914 N2 A2G A 121 27.857 21.510 13.824 1.00 13.43 N HETATM 0 HO3 A2G A 121 31.441 20.282 13.949 1.00 52.52 H new HETATM 0 HN2 A2G A 121 28.315 22.417 13.912 1.00 13.43 H new HETATM 0 H8B A2G A 121 27.214 22.642 16.244 1.00 62.52 H new HETATM 0 H8A A2G A 121 26.072 23.229 15.012 1.00 62.52 H new HETATM 0 H8 A2G A 121 25.541 22.033 16.220 1.00 62.52 H new HETATM 0 H6 A2G A 121 30.791 17.939 9.565 1.00 23.04 H new HETATM 0 H5 A2G A 121 30.159 20.519 10.018 1.00 42.11 H new HETATM 0 H4 A2G A 121 31.435 19.439 11.575 1.00 50.33 H new HETATM 0 H3 A2G A 121 30.254 21.477 12.361 1.00 52.52 H new HETATM 0 H2 A2G A 121 27.992 19.592 13.120 1.00 52.30 H new HETATM 0 H15 A2G A 121 28.004 18.194 9.418 1.00 52.30 H new HETATM 0 H14 A2G A 121 30.233 19.069 8.348 1.00 23.04 H new HETATM 1928 C1 A2G A 122 30.964 17.015 12.172 1.00 62.14 C HETATM 1929 C2 A2G A 122 30.271 15.645 12.110 1.00 14.33 C HETATM 1930 C3 A2G A 122 29.399 15.489 13.371 1.00 34.24 C HETATM 1931 C4 A2G A 122 30.302 15.542 14.678 1.00 24.42 C HETATM 1932 C5 A2G A 122 31.154 16.793 14.666 1.00 11.35 C HETATM 1933 C6 A2G A 122 32.145 16.969 15.825 1.00 11.23 C HETATM 1934 C7 A2G A 122 30.056 14.956 9.715 1.00 22.32 C HETATM 1935 C8 A2G A 122 29.097 14.845 8.515 1.00 23.45 C HETATM 1936 O A2G A 122 31.843 17.014 13.364 1.00 41.41 O HETATM 1937 O3 A2G A 122 28.623 14.287 13.312 1.00 21.53 O HETATM 1938 O4 A2G A 122 31.201 14.372 14.668 1.00 11.24 O HETATM 1939 O6 A2G A 122 31.569 17.761 16.868 1.00 0.02 O HETATM 1940 O7 A2G A 122 31.209 14.566 9.631 1.00 70.52 O HETATM 1941 N2 A2G A 122 29.515 15.492 10.859 1.00 31.25 N HETATM 0 HO4 A2G A 122 32.020 14.593 14.177 1.00 11.24 H new HETATM 0 HO3 A2G A 122 28.079 14.209 14.123 1.00 21.53 H new HETATM 0 HN2 A2G A 122 28.542 15.798 10.839 1.00 31.25 H new HETATM 0 H8B A2G A 122 28.253 14.209 8.782 1.00 23.45 H new HETATM 0 H8A A2G A 122 28.734 15.837 8.247 1.00 23.45 H new HETATM 0 H8 A2G A 122 29.625 14.410 7.666 1.00 23.45 H new HETATM 0 H6 A2G A 122 33.056 17.444 15.462 1.00 11.23 H new HETATM 0 H5 A2G A 122 30.404 17.569 14.819 1.00 11.35 H new HETATM 0 H4 A2G A 122 29.664 15.542 15.562 1.00 24.42 H new HETATM 0 H3 A2G A 122 28.699 16.323 13.415 1.00 34.24 H new HETATM 0 H2 A2G A 122 31.008 14.842 12.101 1.00 14.33 H new HETATM 0 H15 A2G A 122 32.215 17.860 17.598 1.00 0.02 H new HETATM 0 H14 A2G A 122 32.430 15.993 16.218 1.00 11.23 H new HETATM 1955 C2 BGC A 123 29.457 21.271 6.316 1.00 63.02 C HETATM 1956 C3 BGC A 123 28.824 20.194 5.411 1.00 52.11 C HETATM 1957 C4 BGC A 123 27.799 19.317 6.155 1.00 52.13 C HETATM 1958 C5 BGC A 123 26.775 20.183 6.910 1.00 62.11 C HETATM 1959 C6 BGC A 123 25.732 19.402 7.722 1.00 41.23 C HETATM 1960 C1 BGC A 123 28.444 21.995 7.227 1.00 50.44 C HETATM 1961 O2 BGC A 123 30.071 22.261 5.473 1.00 75.23 O HETATM 1962 O3 BGC A 123 29.881 19.342 4.934 1.00 61.02 O HETATM 1963 O4 BGC A 123 27.091 18.528 5.183 1.00 34.12 O HETATM 1964 O5 BGC A 123 27.542 21.013 7.861 1.00 12.11 O HETATM 1965 O6 BGC A 123 25.838 18.010 7.387 1.00 41.24 O HETATM 0 H6C2 BGC A 123 25.897 19.548 8.789 1.00 41.23 H new HETATM 0 H6C1 BGC A 123 24.729 19.769 7.502 1.00 41.23 H new HETATM 0 HD BGC A 123 26.336 18.077 5.615 1.00 34.12 H new HETATM 0 HC BGC A 123 29.504 18.646 4.356 1.00 61.02 H new HETATM 0 HB BGC A 123 30.479 22.957 6.029 1.00 75.23 H new HETATM 0 H6 BGC A 123 24.966 17.578 7.502 1.00 41.24 H new HETATM 0 H5 BGC A 123 26.219 20.744 6.159 1.00 62.11 H new HETATM 0 H4 BGC A 123 28.328 18.690 6.873 1.00 52.13 H new HETATM 0 H3 BGC A 123 28.298 20.702 4.602 1.00 52.11 H new HETATM 0 H2 BGC A 123 30.169 20.760 6.964 1.00 63.02 H new