USER MOD reduce.3.24.130724 H: found=0, std=0, add=1138, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1135 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 HIS : no HD1:sc= 1.59 K(o=5.1,f=-15!) USER MOD Set 1.2: A 120 LYS NZ :NH3+ 145:sc= 2.65 (180deg=-0.39) USER MOD Set 1.3: A 131 HIS : no HD1:sc= 0.811 K(o=5.1,f=-9.2!) USER MOD Set 2.1: A 107 TYR OH : rot 69:sc= 1.18 USER MOD Set 2.2: A 125 LYS NZ :NH3+ -159:sc= 1.22 (180deg=0) USER MOD Set 3.1: A 23 GLN : amide:sc= 0.48 X(o=0.13,f=-0.35) USER MOD Set 3.2: A 31 THR OG1 : rot 34:sc= -0.351 USER MOD Single : A 1 MET CE :methyl -138:sc= -0.158 (180deg=-0.616) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 123:sc= -1.19 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -108:sc= -0.456 (180deg=-2.16!) USER MOD Single : A 28 ASN : amide:sc= -3.13! K(o=-3.1!,f=-0.17) USER MOD Single : A 30 LYS NZ :NH3+ -155:sc= 1.26 (180deg=0.823) USER MOD Single : A 34 THR OG1 : rot 160:sc= 0.413 USER MOD Single : A 35 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0295) USER MOD Single : A 37 LYS NZ :NH3+ -171:sc= 0.397 (180deg=0.293) USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= 0.34 (180deg=0.327) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00803) USER MOD Single : A 49 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0205) USER MOD Single : A 50 GLN : amide:sc=-0.00407 X(o=-0.0041,f=-0.0041) USER MOD Single : A 67 LYS NZ :NH3+ -123:sc= 0.141 (180deg=-0.228) USER MOD Single : A 72 TYR OH : rot -156:sc= 0.0546 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 75 LYS NZ :NH3+ -166:sc= 0.637 (180deg=0.461) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -112:sc= 0.539 (180deg=0.0858) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 173:sc= 0.577 (180deg=0.319) USER MOD Single : A 100 LYS NZ :NH3+ -168:sc=-0.000488 (180deg=-0.121) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -16:sc= 0.12 USER MOD Single : A 111 ASN : amide:sc= -1.59 K(o=-1.6,f=0.053) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ -175:sc= 0.641 (180deg=0.607) USER MOD Single : A 118 LYS NZ :NH3+ 158:sc= 0.154 (180deg=0.0472) USER MOD Single : A 126 SER OG : rot 8:sc= -0.0528 USER MOD Single : A 128 SER OG : rot 140:sc= 0 USER MOD Single : A 132 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-3.4!) USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 134 HIS : no HE2:sc= 0.15 K(o=0.15,f=-1.3) USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 136 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.040 -2.794 17.134 1.00 34.13 N ATOM 2 CA MET A 1 4.648 -1.684 16.364 1.00 4.34 C ATOM 3 C MET A 1 4.952 -2.138 14.923 1.00 51.31 C ATOM 4 O MET A 1 5.820 -2.994 14.703 1.00 2.11 O ATOM 5 CB MET A 1 5.930 -1.169 17.069 1.00 51.23 C ATOM 6 CG MET A 1 6.621 0.010 16.365 1.00 24.44 C ATOM 7 SD MET A 1 8.068 0.619 17.259 1.00 54.41 S ATOM 8 CE MET A 1 7.348 1.154 18.820 1.00 24.34 C ATOM 0 H1 MET A 1 3.840 -2.475 18.103 1.00 34.13 H new ATOM 0 H2 MET A 1 3.154 -3.089 16.677 1.00 34.13 H new ATOM 0 H3 MET A 1 4.699 -3.598 17.163 1.00 34.13 H new ATOM 0 HA MET A 1 3.937 -0.859 16.319 1.00 4.34 H new ATOM 0 HB2 MET A 1 5.674 -0.868 18.085 1.00 51.23 H new ATOM 0 HB3 MET A 1 6.639 -1.993 17.150 1.00 51.23 H new ATOM 0 HG2 MET A 1 6.923 -0.299 15.364 1.00 24.44 H new ATOM 0 HG3 MET A 1 5.906 0.824 16.246 1.00 24.44 H new ATOM 0 HE1 MET A 1 7.791 2.104 19.118 1.00 24.34 H new ATOM 0 HE2 MET A 1 6.272 1.277 18.701 1.00 24.34 H new ATOM 0 HE3 MET A 1 7.545 0.405 19.587 1.00 24.34 H new ATOM 20 N GLY A 2 4.216 -1.573 13.961 1.00 62.33 N ATOM 21 CA GLY A 2 4.394 -1.869 12.546 1.00 52.51 C ATOM 22 C GLY A 2 3.258 -1.285 11.725 1.00 14.33 C ATOM 23 O GLY A 2 2.122 -1.174 12.214 1.00 13.14 O ATOM 0 H GLY A 2 3.478 -0.895 14.148 1.00 62.33 H new ATOM 0 HA2 GLY A 2 5.344 -1.461 12.202 1.00 52.51 H new ATOM 0 HA3 GLY A 2 4.438 -2.948 12.398 1.00 52.51 H new ATOM 27 N VAL A 3 3.561 -0.896 10.481 1.00 3.32 N ATOM 28 CA VAL A 3 2.602 -0.264 9.545 1.00 51.24 C ATOM 29 C VAL A 3 2.733 -0.957 8.177 1.00 21.14 C ATOM 30 O VAL A 3 3.834 -1.353 7.792 1.00 54.50 O ATOM 31 CB VAL A 3 2.885 1.291 9.412 1.00 25.01 C ATOM 32 CG1 VAL A 3 1.942 1.984 8.393 1.00 32.44 C ATOM 33 CG2 VAL A 3 2.813 1.988 10.798 1.00 43.32 C ATOM 0 H VAL A 3 4.493 -1.010 10.082 1.00 3.32 H new ATOM 0 HA VAL A 3 1.587 -0.379 9.925 1.00 51.24 H new ATOM 0 HB VAL A 3 3.898 1.394 9.023 1.00 25.01 H new ATOM 0 HG11 VAL A 3 2.180 3.047 8.342 1.00 32.44 H new ATOM 0 HG12 VAL A 3 2.076 1.534 7.409 1.00 32.44 H new ATOM 0 HG13 VAL A 3 0.907 1.859 8.711 1.00 32.44 H new ATOM 0 HG21 VAL A 3 3.011 3.053 10.680 1.00 43.32 H new ATOM 0 HG22 VAL A 3 1.820 1.848 11.224 1.00 43.32 H new ATOM 0 HG23 VAL A 3 3.558 1.552 11.464 1.00 43.32 H new ATOM 43 N VAL A 4 1.609 -1.172 7.470 1.00 73.44 N ATOM 44 CA VAL A 4 1.604 -1.797 6.132 1.00 30.43 C ATOM 45 C VAL A 4 0.798 -0.908 5.160 1.00 41.20 C ATOM 46 O VAL A 4 -0.413 -0.771 5.302 1.00 64.12 O ATOM 47 CB VAL A 4 1.005 -3.257 6.198 1.00 73.41 C ATOM 48 CG1 VAL A 4 1.022 -3.953 4.816 1.00 14.11 C ATOM 49 CG2 VAL A 4 1.748 -4.110 7.262 1.00 70.20 C ATOM 0 H VAL A 4 0.680 -0.919 7.808 1.00 73.44 H new ATOM 0 HA VAL A 4 2.628 -1.882 5.769 1.00 30.43 H new ATOM 0 HB VAL A 4 -0.039 -3.167 6.498 1.00 73.41 H new ATOM 0 HG11 VAL A 4 0.601 -4.954 4.908 1.00 14.11 H new ATOM 0 HG12 VAL A 4 0.428 -3.373 4.109 1.00 14.11 H new ATOM 0 HG13 VAL A 4 2.049 -4.022 4.456 1.00 14.11 H new ATOM 0 HG21 VAL A 4 1.319 -5.111 7.290 1.00 70.20 H new ATOM 0 HG22 VAL A 4 2.805 -4.175 7.003 1.00 70.20 H new ATOM 0 HG23 VAL A 4 1.643 -3.643 8.241 1.00 70.20 H new ATOM 59 N ILE A 5 1.501 -0.309 4.183 1.00 14.31 N ATOM 60 CA ILE A 5 0.933 0.636 3.199 1.00 4.11 C ATOM 61 C ILE A 5 0.734 -0.090 1.845 1.00 10.52 C ATOM 62 O ILE A 5 1.699 -0.396 1.164 1.00 2.01 O ATOM 63 CB ILE A 5 1.922 1.858 3.013 1.00 61.53 C ATOM 64 CG1 ILE A 5 2.254 2.525 4.393 1.00 21.44 C ATOM 65 CG2 ILE A 5 1.363 2.897 2.005 1.00 33.21 C ATOM 66 CD1 ILE A 5 3.367 3.559 4.353 1.00 72.35 C ATOM 0 H ILE A 5 2.500 -0.470 4.051 1.00 14.31 H new ATOM 0 HA ILE A 5 -0.030 1.003 3.555 1.00 4.11 H new ATOM 0 HB ILE A 5 2.851 1.470 2.595 1.00 61.53 H new ATOM 0 HG12 ILE A 5 1.351 2.999 4.777 1.00 21.44 H new ATOM 0 HG13 ILE A 5 2.529 1.743 5.101 1.00 21.44 H new ATOM 0 HG21 ILE A 5 2.069 3.721 1.903 1.00 33.21 H new ATOM 0 HG22 ILE A 5 1.218 2.421 1.035 1.00 33.21 H new ATOM 0 HG23 ILE A 5 0.409 3.279 2.368 1.00 33.21 H new ATOM 0 HD11 ILE A 5 3.524 3.964 5.353 1.00 72.35 H new ATOM 0 HD12 ILE A 5 4.287 3.090 4.003 1.00 72.35 H new ATOM 0 HD13 ILE A 5 3.090 4.366 3.674 1.00 72.35 H new ATOM 78 N LEU A 6 -0.517 -0.348 1.463 1.00 73.04 N ATOM 79 CA LEU A 6 -0.852 -1.099 0.235 1.00 14.21 C ATOM 80 C LEU A 6 -1.231 -0.113 -0.872 1.00 32.13 C ATOM 81 O LEU A 6 -2.335 0.418 -0.853 1.00 43.03 O ATOM 82 CB LEU A 6 -2.057 -2.038 0.515 1.00 52.01 C ATOM 83 CG LEU A 6 -1.964 -2.920 1.783 1.00 64.13 C ATOM 84 CD1 LEU A 6 -3.281 -3.653 2.017 1.00 51.53 C ATOM 85 CD2 LEU A 6 -0.793 -3.901 1.709 1.00 23.54 C ATOM 0 H LEU A 6 -1.335 -0.045 1.992 1.00 73.04 H new ATOM 0 HA LEU A 6 0.009 -1.691 -0.076 1.00 14.21 H new ATOM 0 HB2 LEU A 6 -2.956 -1.426 0.590 1.00 52.01 H new ATOM 0 HB3 LEU A 6 -2.187 -2.692 -0.347 1.00 52.01 H new ATOM 0 HG LEU A 6 -1.776 -2.264 2.633 1.00 64.13 H new ATOM 0 HD11 LEU A 6 -3.200 -4.269 2.912 1.00 51.53 H new ATOM 0 HD12 LEU A 6 -4.083 -2.927 2.147 1.00 51.53 H new ATOM 0 HD13 LEU A 6 -3.502 -4.287 1.159 1.00 51.53 H new ATOM 0 HD21 LEU A 6 -0.763 -4.501 2.618 1.00 23.54 H new ATOM 0 HD22 LEU A 6 -0.920 -4.555 0.846 1.00 23.54 H new ATOM 0 HD23 LEU A 6 0.140 -3.347 1.609 1.00 23.54 H new ATOM 97 N VAL A 7 -0.335 0.126 -1.834 1.00 0.23 N ATOM 98 CA VAL A 7 -0.621 1.047 -2.946 1.00 14.22 C ATOM 99 C VAL A 7 -1.136 0.240 -4.162 1.00 3.25 C ATOM 100 O VAL A 7 -0.356 -0.398 -4.874 1.00 4.51 O ATOM 101 CB VAL A 7 0.651 1.902 -3.321 1.00 24.23 C ATOM 102 CG1 VAL A 7 0.321 2.969 -4.390 1.00 21.52 C ATOM 103 CG2 VAL A 7 1.261 2.554 -2.058 1.00 24.35 C ATOM 0 H VAL A 7 0.591 -0.301 -1.869 1.00 0.23 H new ATOM 0 HA VAL A 7 -1.395 1.749 -2.635 1.00 14.22 H new ATOM 0 HB VAL A 7 1.391 1.227 -3.751 1.00 24.23 H new ATOM 0 HG11 VAL A 7 1.220 3.539 -4.624 1.00 21.52 H new ATOM 0 HG12 VAL A 7 -0.044 2.479 -5.293 1.00 21.52 H new ATOM 0 HG13 VAL A 7 -0.446 3.642 -4.008 1.00 21.52 H new ATOM 0 HG21 VAL A 7 2.137 3.139 -2.338 1.00 24.35 H new ATOM 0 HG22 VAL A 7 0.522 3.206 -1.592 1.00 24.35 H new ATOM 0 HG23 VAL A 7 1.554 1.776 -1.353 1.00 24.35 H new ATOM 113 N LEU A 8 -2.466 0.294 -4.373 1.00 53.51 N ATOM 114 CA LEU A 8 -3.161 -0.359 -5.494 1.00 61.12 C ATOM 115 C LEU A 8 -3.187 0.610 -6.682 1.00 14.35 C ATOM 116 O LEU A 8 -3.976 1.545 -6.692 1.00 2.12 O ATOM 117 CB LEU A 8 -4.623 -0.737 -5.091 1.00 13.04 C ATOM 118 CG LEU A 8 -4.811 -1.936 -4.101 1.00 61.50 C ATOM 119 CD1 LEU A 8 -4.204 -1.671 -2.711 1.00 34.23 C ATOM 120 CD2 LEU A 8 -6.299 -2.317 -3.994 1.00 1.55 C ATOM 0 H LEU A 8 -3.098 0.804 -3.755 1.00 53.51 H new ATOM 0 HA LEU A 8 -2.634 -1.274 -5.763 1.00 61.12 H new ATOM 0 HB2 LEU A 8 -5.088 0.143 -4.646 1.00 13.04 H new ATOM 0 HB3 LEU A 8 -5.176 -0.963 -6.003 1.00 13.04 H new ATOM 0 HG LEU A 8 -4.259 -2.779 -4.516 1.00 61.50 H new ATOM 0 HD11 LEU A 8 -4.367 -2.538 -2.071 1.00 34.23 H new ATOM 0 HD12 LEU A 8 -3.134 -1.489 -2.810 1.00 34.23 H new ATOM 0 HD13 LEU A 8 -4.681 -0.798 -2.266 1.00 34.23 H new ATOM 0 HD21 LEU A 8 -6.412 -3.152 -3.302 1.00 1.55 H new ATOM 0 HD22 LEU A 8 -6.868 -1.462 -3.628 1.00 1.55 H new ATOM 0 HD23 LEU A 8 -6.672 -2.607 -4.976 1.00 1.55 H new ATOM 132 N THR A 9 -2.349 0.362 -7.690 1.00 11.43 N ATOM 133 CA THR A 9 -2.164 1.267 -8.827 1.00 45.42 C ATOM 134 C THR A 9 -2.845 0.684 -10.069 1.00 33.44 C ATOM 135 O THR A 9 -2.758 -0.523 -10.320 1.00 22.04 O ATOM 136 CB THR A 9 -0.639 1.455 -9.118 1.00 22.20 C ATOM 137 OG1 THR A 9 -0.031 0.169 -9.337 1.00 45.41 O ATOM 138 CG2 THR A 9 0.090 2.164 -7.965 1.00 51.50 C ATOM 0 H THR A 9 -1.775 -0.479 -7.741 1.00 11.43 H new ATOM 0 HA THR A 9 -2.608 2.232 -8.584 1.00 45.42 H new ATOM 0 HB THR A 9 -0.550 2.081 -10.006 1.00 22.20 H new ATOM 0 HG1 THR A 9 0.405 0.158 -10.215 1.00 45.41 H new ATOM 0 HG21 THR A 9 1.146 2.272 -8.214 1.00 51.50 H new ATOM 0 HG22 THR A 9 -0.348 3.150 -7.809 1.00 51.50 H new ATOM 0 HG23 THR A 9 -0.010 1.574 -7.054 1.00 51.50 H new ATOM 146 N GLY A 10 -3.513 1.567 -10.837 1.00 64.25 N ATOM 147 CA GLY A 10 -4.114 1.200 -12.123 1.00 42.24 C ATOM 148 C GLY A 10 -3.082 0.859 -13.197 1.00 50.32 C ATOM 149 O GLY A 10 -3.413 0.242 -14.212 1.00 25.53 O ATOM 0 H GLY A 10 -3.647 2.545 -10.581 1.00 64.25 H new ATOM 0 HA2 GLY A 10 -4.773 0.344 -11.977 1.00 42.24 H new ATOM 0 HA3 GLY A 10 -4.735 2.024 -12.474 1.00 42.24 H new ATOM 153 N ASP A 11 -1.833 1.267 -12.955 1.00 13.12 N ATOM 154 CA ASP A 11 -0.679 0.979 -13.818 1.00 34.05 C ATOM 155 C ASP A 11 0.495 0.539 -12.931 1.00 31.53 C ATOM 156 O ASP A 11 0.863 1.252 -11.998 1.00 14.51 O ATOM 157 CB ASP A 11 -0.328 2.240 -14.653 1.00 62.53 C ATOM 158 CG ASP A 11 1.012 2.174 -15.413 1.00 52.31 C ATOM 159 OD1 ASP A 11 1.300 1.147 -16.069 1.00 74.41 O ATOM 160 OD2 ASP A 11 1.780 3.151 -15.357 1.00 40.21 O ATOM 0 H ASP A 11 -1.588 1.820 -12.134 1.00 13.12 H new ATOM 0 HA ASP A 11 -0.908 0.175 -14.517 1.00 34.05 H new ATOM 0 HB2 ASP A 11 -1.127 2.413 -15.373 1.00 62.53 H new ATOM 0 HB3 ASP A 11 -0.307 3.103 -13.987 1.00 62.53 H new ATOM 165 N GLU A 12 1.068 -0.633 -13.245 1.00 32.35 N ATOM 166 CA GLU A 12 2.158 -1.263 -12.464 1.00 11.40 C ATOM 167 C GLU A 12 3.463 -0.422 -12.511 1.00 20.54 C ATOM 168 O GLU A 12 4.308 -0.504 -11.609 1.00 15.42 O ATOM 169 CB GLU A 12 2.409 -2.687 -13.006 1.00 72.24 C ATOM 170 CG GLU A 12 3.385 -3.534 -12.167 1.00 15.22 C ATOM 171 CD GLU A 12 3.678 -4.897 -12.799 1.00 21.41 C ATOM 172 OE1 GLU A 12 2.788 -5.773 -12.772 1.00 32.44 O ATOM 173 OE2 GLU A 12 4.797 -5.101 -13.321 1.00 1.02 O ATOM 0 H GLU A 12 0.788 -1.182 -14.058 1.00 32.35 H new ATOM 0 HA GLU A 12 1.851 -1.314 -11.419 1.00 11.40 H new ATOM 0 HB2 GLU A 12 1.455 -3.211 -13.067 1.00 72.24 H new ATOM 0 HB3 GLU A 12 2.797 -2.611 -14.022 1.00 72.24 H new ATOM 0 HG2 GLU A 12 4.320 -2.987 -12.043 1.00 15.22 H new ATOM 0 HG3 GLU A 12 2.967 -3.682 -11.171 1.00 15.22 H new ATOM 180 N ARG A 13 3.621 0.357 -13.593 1.00 63.33 N ATOM 181 CA ARG A 13 4.744 1.304 -13.757 1.00 12.31 C ATOM 182 C ARG A 13 4.633 2.463 -12.740 1.00 20.25 C ATOM 183 O ARG A 13 5.662 2.926 -12.232 1.00 2.23 O ATOM 184 CB ARG A 13 4.782 1.806 -15.222 1.00 32.11 C ATOM 185 CG ARG A 13 5.784 2.944 -15.537 1.00 53.43 C ATOM 186 CD ARG A 13 5.669 3.419 -17.000 1.00 23.04 C ATOM 187 NE ARG A 13 4.286 3.838 -17.322 1.00 53.15 N ATOM 188 CZ ARG A 13 3.513 3.343 -18.310 1.00 61.12 C ATOM 189 NH1 ARG A 13 3.955 2.391 -19.122 1.00 13.11 N ATOM 190 NH2 ARG A 13 2.270 3.779 -18.439 1.00 61.20 N ATOM 0 H ARG A 13 2.975 0.351 -14.382 1.00 63.33 H new ATOM 0 HA ARG A 13 5.687 0.798 -13.550 1.00 12.31 H new ATOM 0 HB2 ARG A 13 5.014 0.959 -15.867 1.00 32.11 H new ATOM 0 HB3 ARG A 13 3.783 2.147 -15.492 1.00 32.11 H new ATOM 0 HG2 ARG A 13 5.603 3.784 -14.867 1.00 53.43 H new ATOM 0 HG3 ARG A 13 6.800 2.597 -15.346 1.00 53.43 H new ATOM 0 HD2 ARG A 13 6.352 4.251 -17.169 1.00 23.04 H new ATOM 0 HD3 ARG A 13 5.973 2.615 -17.671 1.00 23.04 H new ATOM 0 HE ARG A 13 3.879 4.571 -16.741 1.00 53.15 H new ATOM 0 HH11 ARG A 13 4.897 2.018 -19.006 1.00 13.11 H new ATOM 0 HH12 ARG A 13 3.352 2.032 -19.862 1.00 13.11 H new ATOM 0 HH21 ARG A 13 1.907 4.482 -17.795 1.00 61.20 H new ATOM 0 HH22 ARG A 13 1.675 3.412 -19.182 1.00 61.20 H new ATOM 204 N ILE A 14 3.374 2.900 -12.427 1.00 62.22 N ATOM 205 CA ILE A 14 3.115 3.859 -11.319 1.00 23.24 C ATOM 206 C ILE A 14 3.575 3.239 -9.983 1.00 2.24 C ATOM 207 O ILE A 14 4.239 3.897 -9.190 1.00 40.23 O ATOM 208 CB ILE A 14 1.596 4.313 -11.199 1.00 73.35 C ATOM 209 CG1 ILE A 14 1.104 4.995 -12.513 1.00 14.31 C ATOM 210 CG2 ILE A 14 1.385 5.265 -9.986 1.00 23.31 C ATOM 211 CD1 ILE A 14 -0.351 5.458 -12.499 1.00 32.15 C ATOM 0 H ILE A 14 2.534 2.603 -12.924 1.00 62.22 H new ATOM 0 HA ILE A 14 3.686 4.758 -11.551 1.00 23.24 H new ATOM 0 HB ILE A 14 1.002 3.414 -11.036 1.00 73.35 H new ATOM 0 HG12 ILE A 14 1.741 5.856 -12.717 1.00 14.31 H new ATOM 0 HG13 ILE A 14 1.238 4.296 -13.339 1.00 14.31 H new ATOM 0 HG21 ILE A 14 0.336 5.558 -9.931 1.00 23.31 H new ATOM 0 HG22 ILE A 14 1.667 4.751 -9.067 1.00 23.31 H new ATOM 0 HG23 ILE A 14 2.004 6.154 -10.109 1.00 23.31 H new ATOM 0 HD11 ILE A 14 -0.596 5.918 -13.456 1.00 32.15 H new ATOM 0 HD12 ILE A 14 -1.004 4.601 -12.331 1.00 32.15 H new ATOM 0 HD13 ILE A 14 -0.494 6.185 -11.700 1.00 32.15 H new ATOM 223 N ALA A 15 3.231 1.957 -9.774 1.00 55.24 N ATOM 224 CA ALA A 15 3.645 1.193 -8.578 1.00 32.11 C ATOM 225 C ALA A 15 5.180 1.169 -8.413 1.00 40.10 C ATOM 226 O ALA A 15 5.701 1.310 -7.299 1.00 33.41 O ATOM 227 CB ALA A 15 3.096 -0.240 -8.656 1.00 51.23 C ATOM 0 H ALA A 15 2.660 1.419 -10.426 1.00 55.24 H new ATOM 0 HA ALA A 15 3.230 1.694 -7.703 1.00 32.11 H new ATOM 0 HB1 ALA A 15 3.405 -0.797 -7.771 1.00 51.23 H new ATOM 0 HB2 ALA A 15 2.007 -0.210 -8.704 1.00 51.23 H new ATOM 0 HB3 ALA A 15 3.485 -0.731 -9.548 1.00 51.23 H new ATOM 233 N GLU A 16 5.883 1.021 -9.545 1.00 22.04 N ATOM 234 CA GLU A 16 7.341 0.867 -9.572 1.00 60.24 C ATOM 235 C GLU A 16 8.037 2.229 -9.318 1.00 31.32 C ATOM 236 O GLU A 16 9.037 2.293 -8.593 1.00 63.40 O ATOM 237 CB GLU A 16 7.765 0.225 -10.931 1.00 33.44 C ATOM 238 CG GLU A 16 9.173 -0.432 -10.967 1.00 42.42 C ATOM 239 CD GLU A 16 10.331 0.581 -10.979 1.00 53.35 C ATOM 240 OE1 GLU A 16 10.531 1.242 -12.023 1.00 65.33 O ATOM 241 OE2 GLU A 16 11.041 0.719 -9.956 1.00 44.01 O ATOM 0 H GLU A 16 5.453 1.005 -10.470 1.00 22.04 H new ATOM 0 HA GLU A 16 7.660 0.200 -8.771 1.00 60.24 H new ATOM 0 HB2 GLU A 16 7.027 -0.531 -11.198 1.00 33.44 H new ATOM 0 HB3 GLU A 16 7.726 0.995 -11.701 1.00 33.44 H new ATOM 0 HG2 GLU A 16 9.282 -1.084 -10.100 1.00 42.42 H new ATOM 0 HG3 GLU A 16 9.246 -1.064 -11.852 1.00 42.42 H new ATOM 248 N GLU A 17 7.511 3.318 -9.901 1.00 3.13 N ATOM 249 CA GLU A 17 8.116 4.665 -9.740 1.00 74.14 C ATOM 250 C GLU A 17 7.856 5.219 -8.326 1.00 60.04 C ATOM 251 O GLU A 17 8.706 5.920 -7.758 1.00 4.22 O ATOM 252 CB GLU A 17 7.612 5.637 -10.843 1.00 35.11 C ATOM 253 CG GLU A 17 6.103 5.939 -10.820 1.00 72.14 C ATOM 254 CD GLU A 17 5.611 6.671 -12.077 1.00 11.42 C ATOM 255 OE1 GLU A 17 5.350 6.006 -13.100 1.00 54.21 O ATOM 256 OE2 GLU A 17 5.504 7.913 -12.058 1.00 53.44 O ATOM 0 H GLU A 17 6.675 3.301 -10.485 1.00 3.13 H new ATOM 0 HA GLU A 17 9.195 4.571 -9.859 1.00 74.14 H new ATOM 0 HB2 GLU A 17 8.155 6.578 -10.750 1.00 35.11 H new ATOM 0 HB3 GLU A 17 7.866 5.218 -11.816 1.00 35.11 H new ATOM 0 HG2 GLU A 17 5.554 5.003 -10.714 1.00 72.14 H new ATOM 0 HG3 GLU A 17 5.874 6.544 -9.943 1.00 72.14 H new ATOM 263 N LEU A 18 6.692 4.862 -7.754 1.00 22.10 N ATOM 264 CA LEU A 18 6.335 5.205 -6.363 1.00 5.11 C ATOM 265 C LEU A 18 7.237 4.459 -5.364 1.00 75.33 C ATOM 266 O LEU A 18 7.465 4.954 -4.263 1.00 0.25 O ATOM 267 CB LEU A 18 4.838 4.908 -6.074 1.00 20.10 C ATOM 268 CG LEU A 18 3.801 5.862 -6.751 1.00 33.41 C ATOM 269 CD1 LEU A 18 2.361 5.466 -6.351 1.00 71.21 C ATOM 270 CD2 LEU A 18 4.097 7.351 -6.429 1.00 52.31 C ATOM 0 H LEU A 18 5.972 4.328 -8.241 1.00 22.10 H new ATOM 0 HA LEU A 18 6.495 6.276 -6.237 1.00 5.11 H new ATOM 0 HB2 LEU A 18 4.624 3.888 -6.392 1.00 20.10 H new ATOM 0 HB3 LEU A 18 4.684 4.944 -4.996 1.00 20.10 H new ATOM 0 HG LEU A 18 3.894 5.750 -7.831 1.00 33.41 H new ATOM 0 HD11 LEU A 18 1.652 6.140 -6.831 1.00 71.21 H new ATOM 0 HD12 LEU A 18 2.163 4.443 -6.671 1.00 71.21 H new ATOM 0 HD13 LEU A 18 2.252 5.535 -5.269 1.00 71.21 H new ATOM 0 HD21 LEU A 18 3.355 7.983 -6.917 1.00 52.31 H new ATOM 0 HD22 LEU A 18 4.053 7.506 -5.351 1.00 52.31 H new ATOM 0 HD23 LEU A 18 5.091 7.611 -6.793 1.00 52.31 H new ATOM 282 N ARG A 19 7.733 3.267 -5.764 1.00 44.10 N ATOM 283 CA ARG A 19 8.715 2.500 -4.976 1.00 55.22 C ATOM 284 C ARG A 19 9.978 3.330 -4.725 1.00 33.23 C ATOM 285 O ARG A 19 10.417 3.469 -3.578 1.00 34.03 O ATOM 286 CB ARG A 19 9.067 1.164 -5.678 1.00 44.20 C ATOM 287 CG ARG A 19 10.193 0.365 -4.993 1.00 32.05 C ATOM 288 CD ARG A 19 10.361 -1.045 -5.565 1.00 15.44 C ATOM 289 NE ARG A 19 10.714 -1.039 -6.999 1.00 14.40 N ATOM 290 CZ ARG A 19 11.431 -1.993 -7.608 1.00 40.41 C ATOM 291 NH1 ARG A 19 11.891 -3.038 -6.929 1.00 12.50 N ATOM 292 NH2 ARG A 19 11.683 -1.904 -8.899 1.00 51.25 N ATOM 0 H ARG A 19 7.464 2.814 -6.638 1.00 44.10 H new ATOM 0 HA ARG A 19 8.264 2.266 -4.012 1.00 55.22 H new ATOM 0 HB2 ARG A 19 8.172 0.543 -5.722 1.00 44.20 H new ATOM 0 HB3 ARG A 19 9.360 1.374 -6.707 1.00 44.20 H new ATOM 0 HG2 ARG A 19 11.132 0.908 -5.099 1.00 32.05 H new ATOM 0 HG3 ARG A 19 9.984 0.295 -3.926 1.00 32.05 H new ATOM 0 HD2 ARG A 19 11.136 -1.570 -5.006 1.00 15.44 H new ATOM 0 HD3 ARG A 19 9.435 -1.602 -5.425 1.00 15.44 H new ATOM 0 HE ARG A 19 10.390 -0.255 -7.565 1.00 14.40 H new ATOM 0 HH11 ARG A 19 11.700 -3.122 -5.931 1.00 12.50 H new ATOM 0 HH12 ARG A 19 12.435 -3.757 -7.406 1.00 12.50 H new ATOM 0 HH21 ARG A 19 11.332 -1.109 -9.433 1.00 51.25 H new ATOM 0 HH22 ARG A 19 12.229 -2.630 -9.363 1.00 51.25 H new ATOM 306 N LYS A 20 10.504 3.922 -5.813 1.00 61.03 N ATOM 307 CA LYS A 20 11.688 4.805 -5.778 1.00 14.10 C ATOM 308 C LYS A 20 11.439 6.008 -4.855 1.00 13.03 C ATOM 309 O LYS A 20 12.338 6.438 -4.128 1.00 4.21 O ATOM 310 CB LYS A 20 12.020 5.293 -7.213 1.00 73.42 C ATOM 311 CG LYS A 20 12.314 4.158 -8.218 1.00 44.45 C ATOM 312 CD LYS A 20 12.451 4.683 -9.666 1.00 2.22 C ATOM 313 CE LYS A 20 12.852 3.585 -10.656 1.00 50.52 C ATOM 314 NZ LYS A 20 12.989 4.116 -12.038 1.00 55.30 N ATOM 0 H LYS A 20 10.117 3.801 -6.749 1.00 61.03 H new ATOM 0 HA LYS A 20 12.534 4.241 -5.385 1.00 14.10 H new ATOM 0 HB2 LYS A 20 11.184 5.885 -7.585 1.00 73.42 H new ATOM 0 HB3 LYS A 20 12.884 5.956 -7.168 1.00 73.42 H new ATOM 0 HG2 LYS A 20 13.233 3.648 -7.929 1.00 44.45 H new ATOM 0 HG3 LYS A 20 11.513 3.420 -8.175 1.00 44.45 H new ATOM 0 HD2 LYS A 20 11.504 5.122 -9.980 1.00 2.22 H new ATOM 0 HD3 LYS A 20 13.195 5.479 -9.691 1.00 2.22 H new ATOM 0 HE2 LYS A 20 13.796 3.139 -10.342 1.00 50.52 H new ATOM 0 HE3 LYS A 20 12.104 2.792 -10.643 1.00 50.52 H new ATOM 0 HZ1 LYS A 20 13.261 3.345 -12.681 1.00 55.30 H new ATOM 0 HZ2 LYS A 20 12.081 4.520 -12.346 1.00 55.30 H new ATOM 0 HZ3 LYS A 20 13.720 4.855 -12.055 1.00 55.30 H new ATOM 328 N GLU A 21 10.191 6.510 -4.883 1.00 12.04 N ATOM 329 CA GLU A 21 9.758 7.657 -4.073 1.00 4.12 C ATOM 330 C GLU A 21 9.768 7.313 -2.564 1.00 43.54 C ATOM 331 O GLU A 21 10.162 8.148 -1.733 1.00 22.32 O ATOM 332 CB GLU A 21 8.353 8.125 -4.553 1.00 11.32 C ATOM 333 CG GLU A 21 7.769 9.344 -3.812 1.00 42.10 C ATOM 334 CD GLU A 21 8.720 10.558 -3.789 1.00 43.32 C ATOM 335 OE1 GLU A 21 8.978 11.151 -4.866 1.00 30.42 O ATOM 336 OE2 GLU A 21 9.206 10.931 -2.696 1.00 44.32 O ATOM 0 H GLU A 21 9.452 6.127 -5.473 1.00 12.04 H new ATOM 0 HA GLU A 21 10.462 8.479 -4.208 1.00 4.12 H new ATOM 0 HB2 GLU A 21 8.412 8.362 -5.615 1.00 11.32 H new ATOM 0 HB3 GLU A 21 7.657 7.292 -4.450 1.00 11.32 H new ATOM 0 HG2 GLU A 21 6.832 9.634 -4.287 1.00 42.10 H new ATOM 0 HG3 GLU A 21 7.532 9.058 -2.787 1.00 42.10 H new ATOM 343 N VAL A 22 9.357 6.072 -2.224 1.00 2.24 N ATOM 344 CA VAL A 22 9.395 5.570 -0.835 1.00 3.21 C ATOM 345 C VAL A 22 10.848 5.466 -0.341 1.00 12.04 C ATOM 346 O VAL A 22 11.162 5.889 0.773 1.00 10.33 O ATOM 347 CB VAL A 22 8.718 4.159 -0.684 1.00 3.23 C ATOM 348 CG1 VAL A 22 8.790 3.660 0.775 1.00 43.43 C ATOM 349 CG2 VAL A 22 7.265 4.163 -1.174 1.00 72.22 C ATOM 0 H VAL A 22 8.994 5.397 -2.897 1.00 2.24 H new ATOM 0 HA VAL A 22 8.835 6.287 -0.235 1.00 3.21 H new ATOM 0 HB VAL A 22 9.279 3.471 -1.316 1.00 3.23 H new ATOM 0 HG11 VAL A 22 8.314 2.682 0.849 1.00 43.43 H new ATOM 0 HG12 VAL A 22 9.833 3.580 1.081 1.00 43.43 H new ATOM 0 HG13 VAL A 22 8.274 4.365 1.427 1.00 43.43 H new ATOM 0 HG21 VAL A 22 6.837 3.168 -1.051 1.00 72.22 H new ATOM 0 HG22 VAL A 22 6.687 4.881 -0.593 1.00 72.22 H new ATOM 0 HG23 VAL A 22 7.237 4.442 -2.227 1.00 72.22 H new ATOM 359 N GLN A 23 11.721 4.912 -1.210 1.00 72.52 N ATOM 360 CA GLN A 23 13.137 4.651 -0.881 1.00 61.22 C ATOM 361 C GLN A 23 13.905 5.966 -0.666 1.00 75.44 C ATOM 362 O GLN A 23 14.823 6.024 0.158 1.00 1.35 O ATOM 363 CB GLN A 23 13.809 3.806 -2.000 1.00 31.44 C ATOM 364 CG GLN A 23 13.134 2.440 -2.277 1.00 74.41 C ATOM 365 CD GLN A 23 13.082 1.506 -1.063 1.00 4.14 C ATOM 366 OE1 GLN A 23 13.984 0.702 -0.846 1.00 0.24 O ATOM 367 NE2 GLN A 23 12.023 1.601 -0.276 1.00 42.22 N ATOM 0 H GLN A 23 11.464 4.634 -2.157 1.00 72.52 H new ATOM 0 HA GLN A 23 13.169 4.085 0.050 1.00 61.22 H new ATOM 0 HB2 GLN A 23 13.812 4.387 -2.922 1.00 31.44 H new ATOM 0 HB3 GLN A 23 14.850 3.632 -1.729 1.00 31.44 H new ATOM 0 HG2 GLN A 23 12.118 2.615 -2.630 1.00 74.41 H new ATOM 0 HG3 GLN A 23 13.670 1.940 -3.083 1.00 74.41 H new ATOM 0 HE21 GLN A 23 11.291 2.280 -0.485 1.00 42.22 H new ATOM 0 HE22 GLN A 23 11.938 0.995 0.540 1.00 42.22 H new ATOM 376 N LYS A 24 13.512 7.010 -1.412 1.00 22.52 N ATOM 377 CA LYS A 24 14.104 8.352 -1.290 1.00 22.23 C ATOM 378 C LYS A 24 13.599 9.078 -0.034 1.00 72.33 C ATOM 379 O LYS A 24 14.296 9.953 0.494 1.00 50.10 O ATOM 380 CB LYS A 24 13.832 9.197 -2.576 1.00 64.10 C ATOM 381 CG LYS A 24 14.650 8.775 -3.841 1.00 54.13 C ATOM 382 CD LYS A 24 16.034 9.496 -4.027 1.00 31.33 C ATOM 383 CE LYS A 24 17.134 9.122 -2.995 1.00 61.45 C ATOM 384 NZ LYS A 24 17.004 9.857 -1.707 1.00 43.22 N ATOM 0 H LYS A 24 12.776 6.948 -2.116 1.00 22.52 H new ATOM 0 HA LYS A 24 15.182 8.231 -1.185 1.00 22.23 H new ATOM 0 HB2 LYS A 24 12.770 9.135 -2.813 1.00 64.10 H new ATOM 0 HB3 LYS A 24 14.049 10.242 -2.356 1.00 64.10 H new ATOM 0 HG2 LYS A 24 14.824 7.700 -3.797 1.00 54.13 H new ATOM 0 HG3 LYS A 24 14.041 8.964 -4.725 1.00 54.13 H new ATOM 0 HD2 LYS A 24 16.408 9.272 -5.026 1.00 31.33 H new ATOM 0 HD3 LYS A 24 15.871 10.573 -3.982 1.00 31.33 H new ATOM 0 HE2 LYS A 24 17.091 8.050 -2.800 1.00 61.45 H new ATOM 0 HE3 LYS A 24 18.113 9.329 -3.427 1.00 61.45 H new ATOM 0 HZ1 LYS A 24 17.762 10.565 -1.633 1.00 43.22 H new ATOM 0 HZ2 LYS A 24 16.080 10.334 -1.671 1.00 43.22 H new ATOM 0 HZ3 LYS A 24 17.079 9.186 -0.916 1.00 43.22 H new ATOM 398 N HIS A 25 12.385 8.720 0.421 1.00 22.44 N ATOM 399 CA HIS A 25 11.812 9.253 1.670 1.00 14.44 C ATOM 400 C HIS A 25 12.427 8.519 2.886 1.00 30.40 C ATOM 401 O HIS A 25 12.585 9.103 3.969 1.00 74.24 O ATOM 402 CB HIS A 25 10.269 9.123 1.646 1.00 75.02 C ATOM 403 CG HIS A 25 9.556 9.866 2.759 1.00 5.11 C ATOM 404 ND1 HIS A 25 8.998 11.103 2.545 1.00 43.30 N ATOM 405 CD2 HIS A 25 9.323 9.503 4.050 1.00 61.22 C ATOM 406 CE1 HIS A 25 8.441 11.456 3.690 1.00 2.04 C ATOM 407 NE2 HIS A 25 8.613 10.522 4.625 1.00 53.40 N ATOM 0 H HIS A 25 11.778 8.058 -0.062 1.00 22.44 H new ATOM 0 HA HIS A 25 12.054 10.312 1.759 1.00 14.44 H new ATOM 0 HB2 HIS A 25 9.901 9.490 0.688 1.00 75.02 H new ATOM 0 HB3 HIS A 25 10.005 8.067 1.705 1.00 75.02 H new ATOM 0 HD2 HIS A 25 9.638 8.587 4.528 1.00 61.22 H new ATOM 0 HE1 HIS A 25 7.913 12.385 3.848 1.00 2.04 H new ATOM 0 HE2 HIS A 25 8.278 10.560 5.588 1.00 53.40 H new ATOM 415 N ASP A 26 12.773 7.235 2.687 1.00 22.35 N ATOM 416 CA ASP A 26 13.445 6.400 3.703 1.00 72.43 C ATOM 417 C ASP A 26 13.830 5.036 3.087 1.00 45.23 C ATOM 418 O ASP A 26 12.949 4.301 2.619 1.00 64.21 O ATOM 419 CB ASP A 26 12.562 6.177 4.958 1.00 42.31 C ATOM 420 CG ASP A 26 13.291 5.377 6.056 1.00 13.23 C ATOM 421 OD1 ASP A 26 14.200 5.923 6.721 1.00 64.43 O ATOM 422 OD2 ASP A 26 12.985 4.191 6.235 1.00 4.11 O ATOM 0 H ASP A 26 12.594 6.743 1.812 1.00 22.35 H new ATOM 0 HA ASP A 26 14.341 6.933 4.023 1.00 72.43 H new ATOM 0 HB2 ASP A 26 12.255 7.143 5.359 1.00 42.31 H new ATOM 0 HB3 ASP A 26 11.653 5.648 4.670 1.00 42.31 H new ATOM 427 N PRO A 27 15.160 4.670 3.069 1.00 44.14 N ATOM 428 CA PRO A 27 15.630 3.384 2.492 1.00 43.51 C ATOM 429 C PRO A 27 15.313 2.160 3.385 1.00 44.54 C ATOM 430 O PRO A 27 15.310 1.027 2.898 1.00 43.12 O ATOM 431 CB PRO A 27 17.158 3.610 2.352 1.00 24.45 C ATOM 432 CG PRO A 27 17.504 4.576 3.447 1.00 64.13 C ATOM 433 CD PRO A 27 16.302 5.489 3.586 1.00 34.32 C ATOM 0 HA PRO A 27 15.131 3.147 1.552 1.00 43.51 H new ATOM 0 HB2 PRO A 27 17.708 2.675 2.461 1.00 24.45 H new ATOM 0 HB3 PRO A 27 17.410 4.016 1.372 1.00 24.45 H new ATOM 0 HG2 PRO A 27 17.707 4.052 4.381 1.00 64.13 H new ATOM 0 HG3 PRO A 27 18.400 5.144 3.199 1.00 64.13 H new ATOM 0 HD2 PRO A 27 16.143 5.784 4.623 1.00 34.32 H new ATOM 0 HD3 PRO A 27 16.429 6.405 3.010 1.00 34.32 H new ATOM 441 N ASN A 28 15.037 2.407 4.685 1.00 74.24 N ATOM 442 CA ASN A 28 14.812 1.335 5.684 1.00 1.44 C ATOM 443 C ASN A 28 13.393 0.746 5.539 1.00 60.23 C ATOM 444 O ASN A 28 13.143 -0.386 5.973 1.00 45.20 O ATOM 445 CB ASN A 28 15.037 1.865 7.136 1.00 54.34 C ATOM 446 CG ASN A 28 16.463 2.343 7.468 1.00 11.03 C ATOM 447 OD1 ASN A 28 16.906 2.232 8.611 1.00 73.12 O ATOM 448 ND2 ASN A 28 17.188 2.904 6.504 1.00 63.02 N ATOM 0 H ASN A 28 14.964 3.348 5.071 1.00 74.24 H new ATOM 0 HA ASN A 28 15.537 0.543 5.496 1.00 1.44 H new ATOM 0 HB2 ASN A 28 14.348 2.692 7.310 1.00 54.34 H new ATOM 0 HB3 ASN A 28 14.768 1.074 7.836 1.00 54.34 H new ATOM 0 HD21 ASN A 28 18.126 3.250 6.707 1.00 63.02 H new ATOM 0 HD22 ASN A 28 16.806 2.988 5.562 1.00 63.02 H new ATOM 455 N VAL A 29 12.467 1.538 4.941 1.00 1.31 N ATOM 456 CA VAL A 29 11.129 1.055 4.553 1.00 73.51 C ATOM 457 C VAL A 29 11.280 0.013 3.440 1.00 32.34 C ATOM 458 O VAL A 29 11.940 0.280 2.428 1.00 51.13 O ATOM 459 CB VAL A 29 10.182 2.208 4.042 1.00 53.12 C ATOM 460 CG1 VAL A 29 8.781 1.661 3.658 1.00 60.41 C ATOM 461 CG2 VAL A 29 10.068 3.332 5.085 1.00 24.12 C ATOM 0 H VAL A 29 12.630 2.520 4.718 1.00 1.31 H new ATOM 0 HA VAL A 29 10.670 0.627 5.444 1.00 73.51 H new ATOM 0 HB VAL A 29 10.631 2.628 3.142 1.00 53.12 H new ATOM 0 HG11 VAL A 29 8.153 2.481 3.310 1.00 60.41 H new ATOM 0 HG12 VAL A 29 8.884 0.921 2.864 1.00 60.41 H new ATOM 0 HG13 VAL A 29 8.320 1.196 4.530 1.00 60.41 H new ATOM 0 HG21 VAL A 29 9.409 4.114 4.707 1.00 24.12 H new ATOM 0 HG22 VAL A 29 9.658 2.929 6.011 1.00 24.12 H new ATOM 0 HG23 VAL A 29 11.056 3.751 5.277 1.00 24.12 H new ATOM 471 N LYS A 30 10.672 -1.163 3.628 1.00 40.13 N ATOM 472 CA LYS A 30 10.730 -2.248 2.646 1.00 13.21 C ATOM 473 C LYS A 30 9.545 -2.165 1.688 1.00 10.31 C ATOM 474 O LYS A 30 8.398 -2.070 2.107 1.00 14.13 O ATOM 475 CB LYS A 30 10.817 -3.625 3.359 1.00 51.21 C ATOM 476 CG LYS A 30 12.201 -3.897 4.007 1.00 14.52 C ATOM 477 CD LYS A 30 13.376 -3.742 3.002 1.00 42.23 C ATOM 478 CE LYS A 30 13.287 -4.701 1.791 1.00 33.03 C ATOM 479 NZ LYS A 30 13.541 -6.117 2.158 1.00 33.13 N ATOM 0 H LYS A 30 10.129 -1.388 4.461 1.00 40.13 H new ATOM 0 HA LYS A 30 11.635 -2.139 2.048 1.00 13.21 H new ATOM 0 HB2 LYS A 30 10.047 -3.676 4.129 1.00 51.21 H new ATOM 0 HB3 LYS A 30 10.600 -4.413 2.638 1.00 51.21 H new ATOM 0 HG2 LYS A 30 12.348 -3.210 4.840 1.00 14.52 H new ATOM 0 HG3 LYS A 30 12.212 -4.906 4.420 1.00 14.52 H new ATOM 0 HD2 LYS A 30 13.400 -2.714 2.640 1.00 42.23 H new ATOM 0 HD3 LYS A 30 14.316 -3.917 3.525 1.00 42.23 H new ATOM 0 HE2 LYS A 30 12.298 -4.619 1.341 1.00 33.03 H new ATOM 0 HE3 LYS A 30 14.008 -4.392 1.035 1.00 33.03 H new ATOM 0 HZ1 LYS A 30 13.885 -6.635 1.325 1.00 33.13 H new ATOM 0 HZ2 LYS A 30 14.257 -6.157 2.911 1.00 33.13 H new ATOM 0 HZ3 LYS A 30 12.659 -6.552 2.496 1.00 33.13 H new ATOM 493 N THR A 31 9.858 -2.177 0.396 1.00 62.43 N ATOM 494 CA THR A 31 8.878 -2.089 -0.690 1.00 23.33 C ATOM 495 C THR A 31 8.862 -3.409 -1.459 1.00 65.41 C ATOM 496 O THR A 31 9.928 -3.934 -1.809 1.00 45.35 O ATOM 497 CB THR A 31 9.229 -0.906 -1.651 1.00 71.22 C ATOM 498 OG1 THR A 31 10.617 -0.962 -2.031 1.00 71.34 O ATOM 499 CG2 THR A 31 8.941 0.458 -1.012 1.00 31.53 C ATOM 0 H THR A 31 10.820 -2.250 0.064 1.00 62.43 H new ATOM 0 HA THR A 31 7.890 -1.901 -0.269 1.00 23.33 H new ATOM 0 HB THR A 31 8.596 -1.014 -2.532 1.00 71.22 H new ATOM 0 HG1 THR A 31 10.901 -1.898 -2.097 1.00 71.34 H new ATOM 0 HG21 THR A 31 9.199 1.251 -1.714 1.00 31.53 H new ATOM 0 HG22 THR A 31 7.882 0.526 -0.761 1.00 31.53 H new ATOM 0 HG23 THR A 31 9.536 0.568 -0.106 1.00 31.53 H new ATOM 507 N VAL A 32 7.658 -3.957 -1.693 1.00 53.25 N ATOM 508 CA VAL A 32 7.473 -5.225 -2.411 1.00 64.01 C ATOM 509 C VAL A 32 6.520 -4.975 -3.597 1.00 10.01 C ATOM 510 O VAL A 32 5.396 -4.521 -3.374 1.00 54.11 O ATOM 511 CB VAL A 32 6.883 -6.354 -1.476 1.00 53.40 C ATOM 512 CG1 VAL A 32 6.895 -7.724 -2.193 1.00 65.03 C ATOM 513 CG2 VAL A 32 7.638 -6.429 -0.127 1.00 21.33 C ATOM 0 H VAL A 32 6.784 -3.530 -1.388 1.00 53.25 H new ATOM 0 HA VAL A 32 8.445 -5.574 -2.760 1.00 64.01 H new ATOM 0 HB VAL A 32 5.848 -6.092 -1.257 1.00 53.40 H new ATOM 0 HG11 VAL A 32 6.484 -8.485 -1.530 1.00 65.03 H new ATOM 0 HG12 VAL A 32 6.290 -7.666 -3.098 1.00 65.03 H new ATOM 0 HG13 VAL A 32 7.919 -7.987 -2.457 1.00 65.03 H new ATOM 0 HG21 VAL A 32 7.204 -7.216 0.489 1.00 21.33 H new ATOM 0 HG22 VAL A 32 8.690 -6.649 -0.310 1.00 21.33 H new ATOM 0 HG23 VAL A 32 7.552 -5.474 0.391 1.00 21.33 H new ATOM 523 N PRO A 33 6.946 -5.248 -4.876 1.00 33.13 N ATOM 524 CA PRO A 33 6.094 -5.025 -6.071 1.00 43.33 C ATOM 525 C PRO A 33 4.939 -6.038 -6.182 1.00 34.34 C ATOM 526 O PRO A 33 4.776 -6.924 -5.327 1.00 62.22 O ATOM 527 CB PRO A 33 7.093 -5.186 -7.252 1.00 53.55 C ATOM 528 CG PRO A 33 8.142 -6.115 -6.734 1.00 61.44 C ATOM 529 CD PRO A 33 8.282 -5.796 -5.256 1.00 31.40 C ATOM 0 HA PRO A 33 5.598 -4.055 -6.043 1.00 43.33 H new ATOM 0 HB2 PRO A 33 6.601 -5.596 -8.134 1.00 53.55 H new ATOM 0 HB3 PRO A 33 7.521 -4.227 -7.543 1.00 53.55 H new ATOM 0 HG2 PRO A 33 7.852 -7.155 -6.884 1.00 61.44 H new ATOM 0 HG3 PRO A 33 9.087 -5.969 -7.257 1.00 61.44 H new ATOM 0 HD2 PRO A 33 8.527 -6.686 -4.677 1.00 31.40 H new ATOM 0 HD3 PRO A 33 9.076 -5.071 -5.078 1.00 31.40 H new ATOM 537 N THR A 34 4.164 -5.900 -7.267 1.00 1.02 N ATOM 538 CA THR A 34 3.075 -6.832 -7.620 1.00 62.41 C ATOM 539 C THR A 34 3.622 -8.215 -8.008 1.00 11.41 C ATOM 540 O THR A 34 2.874 -9.184 -8.048 1.00 32.01 O ATOM 541 CB THR A 34 2.263 -6.282 -8.836 1.00 13.00 C ATOM 542 OG1 THR A 34 3.138 -6.191 -9.960 1.00 15.05 O ATOM 543 CG2 THR A 34 1.661 -4.897 -8.575 1.00 10.33 C ATOM 0 H THR A 34 4.273 -5.134 -7.932 1.00 1.02 H new ATOM 0 HA THR A 34 2.438 -6.925 -6.741 1.00 62.41 H new ATOM 0 HB THR A 34 1.436 -6.969 -9.016 1.00 13.00 H new ATOM 0 HG1 THR A 34 2.610 -6.168 -10.785 1.00 15.05 H new ATOM 0 HG21 THR A 34 1.109 -4.568 -9.456 1.00 10.33 H new ATOM 0 HG22 THR A 34 0.985 -4.949 -7.721 1.00 10.33 H new ATOM 0 HG23 THR A 34 2.460 -4.187 -8.362 1.00 10.33 H new ATOM 551 N LYS A 35 4.922 -8.259 -8.330 1.00 2.01 N ATOM 552 CA LYS A 35 5.608 -9.445 -8.836 1.00 24.32 C ATOM 553 C LYS A 35 5.832 -10.480 -7.717 1.00 3.11 C ATOM 554 O LYS A 35 5.501 -11.661 -7.870 1.00 1.52 O ATOM 555 CB LYS A 35 6.953 -8.999 -9.471 1.00 40.33 C ATOM 556 CG LYS A 35 7.684 -10.105 -10.257 1.00 51.11 C ATOM 557 CD LYS A 35 8.997 -9.618 -10.919 1.00 71.22 C ATOM 558 CE LYS A 35 8.776 -8.494 -11.953 1.00 33.03 C ATOM 559 NZ LYS A 35 7.872 -8.913 -13.060 1.00 34.32 N ATOM 0 H LYS A 35 5.536 -7.449 -8.242 1.00 2.01 H new ATOM 0 HA LYS A 35 4.991 -9.932 -9.592 1.00 24.32 H new ATOM 0 HB2 LYS A 35 6.764 -8.159 -10.140 1.00 40.33 H new ATOM 0 HB3 LYS A 35 7.611 -8.636 -8.681 1.00 40.33 H new ATOM 0 HG2 LYS A 35 7.909 -10.932 -9.583 1.00 51.11 H new ATOM 0 HG3 LYS A 35 7.019 -10.494 -11.028 1.00 51.11 H new ATOM 0 HD2 LYS A 35 9.676 -9.262 -10.145 1.00 71.22 H new ATOM 0 HD3 LYS A 35 9.485 -10.462 -11.408 1.00 71.22 H new ATOM 0 HE2 LYS A 35 8.355 -7.622 -11.453 1.00 33.03 H new ATOM 0 HE3 LYS A 35 9.737 -8.191 -12.367 1.00 33.03 H new ATOM 0 HZ1 LYS A 35 7.808 -8.150 -13.764 1.00 34.32 H new ATOM 0 HZ2 LYS A 35 8.251 -9.770 -13.512 1.00 34.32 H new ATOM 0 HZ3 LYS A 35 6.925 -9.113 -12.678 1.00 34.32 H new ATOM 573 N ASP A 36 6.365 -10.003 -6.580 1.00 44.21 N ATOM 574 CA ASP A 36 6.754 -10.863 -5.441 1.00 71.34 C ATOM 575 C ASP A 36 5.585 -10.997 -4.446 1.00 64.04 C ATOM 576 O ASP A 36 5.680 -10.586 -3.288 1.00 61.03 O ATOM 577 CB ASP A 36 8.024 -10.289 -4.757 1.00 33.12 C ATOM 578 CG ASP A 36 9.233 -10.219 -5.710 1.00 10.53 C ATOM 579 OD1 ASP A 36 9.744 -11.286 -6.109 1.00 32.20 O ATOM 580 OD2 ASP A 36 9.676 -9.108 -6.066 1.00 21.12 O ATOM 0 H ASP A 36 6.540 -9.011 -6.421 1.00 44.21 H new ATOM 0 HA ASP A 36 6.989 -11.862 -5.807 1.00 71.34 H new ATOM 0 HB2 ASP A 36 7.807 -9.290 -4.378 1.00 33.12 H new ATOM 0 HB3 ASP A 36 8.280 -10.908 -3.897 1.00 33.12 H new ATOM 585 N LYS A 37 4.500 -11.623 -4.934 1.00 53.22 N ATOM 586 CA LYS A 37 3.214 -11.783 -4.210 1.00 3.11 C ATOM 587 C LYS A 37 3.374 -12.660 -2.951 1.00 63.01 C ATOM 588 O LYS A 37 2.761 -12.406 -1.908 1.00 52.21 O ATOM 589 CB LYS A 37 2.173 -12.430 -5.172 1.00 63.31 C ATOM 590 CG LYS A 37 1.959 -11.655 -6.487 1.00 0.41 C ATOM 591 CD LYS A 37 1.040 -12.386 -7.492 1.00 32.15 C ATOM 592 CE LYS A 37 0.790 -11.556 -8.769 1.00 5.44 C ATOM 593 NZ LYS A 37 0.048 -10.298 -8.479 1.00 35.24 N ATOM 0 H LYS A 37 4.486 -12.043 -5.863 1.00 53.22 H new ATOM 0 HA LYS A 37 2.875 -10.799 -3.885 1.00 3.11 H new ATOM 0 HB2 LYS A 37 2.496 -13.444 -5.409 1.00 63.31 H new ATOM 0 HB3 LYS A 37 1.218 -12.513 -4.653 1.00 63.31 H new ATOM 0 HG2 LYS A 37 1.530 -10.679 -6.259 1.00 0.41 H new ATOM 0 HG3 LYS A 37 2.927 -11.476 -6.956 1.00 0.41 H new ATOM 0 HD2 LYS A 37 1.490 -13.341 -7.764 1.00 32.15 H new ATOM 0 HD3 LYS A 37 0.086 -12.608 -7.013 1.00 32.15 H new ATOM 0 HE2 LYS A 37 1.744 -11.315 -9.237 1.00 5.44 H new ATOM 0 HE3 LYS A 37 0.226 -12.153 -9.485 1.00 5.44 H new ATOM 0 HZ1 LYS A 37 -0.233 -9.847 -9.373 1.00 35.24 H new ATOM 0 HZ2 LYS A 37 -0.801 -10.517 -7.920 1.00 35.24 H new ATOM 0 HZ3 LYS A 37 0.659 -9.651 -7.941 1.00 35.24 H new ATOM 607 N GLU A 38 4.245 -13.662 -3.084 1.00 52.34 N ATOM 608 CA GLU A 38 4.497 -14.696 -2.070 1.00 41.41 C ATOM 609 C GLU A 38 5.330 -14.109 -0.916 1.00 34.34 C ATOM 610 O GLU A 38 5.066 -14.369 0.261 1.00 41.22 O ATOM 611 CB GLU A 38 5.259 -15.899 -2.721 1.00 61.11 C ATOM 612 CG GLU A 38 4.493 -16.674 -3.833 1.00 14.13 C ATOM 613 CD GLU A 38 4.134 -15.849 -5.089 1.00 63.32 C ATOM 614 OE1 GLU A 38 5.019 -15.154 -5.634 1.00 63.24 O ATOM 615 OE2 GLU A 38 2.971 -15.899 -5.543 1.00 3.51 O ATOM 0 H GLU A 38 4.812 -13.783 -3.923 1.00 52.34 H new ATOM 0 HA GLU A 38 3.544 -15.048 -1.674 1.00 41.41 H new ATOM 0 HB2 GLU A 38 6.192 -15.526 -3.143 1.00 61.11 H new ATOM 0 HB3 GLU A 38 5.525 -16.603 -1.933 1.00 61.11 H new ATOM 0 HG2 GLU A 38 5.098 -17.527 -4.140 1.00 14.13 H new ATOM 0 HG3 GLU A 38 3.573 -17.073 -3.406 1.00 14.13 H new ATOM 622 N LYS A 39 6.317 -13.277 -1.295 1.00 21.11 N ATOM 623 CA LYS A 39 7.338 -12.740 -0.373 1.00 1.42 C ATOM 624 C LYS A 39 6.795 -11.601 0.507 1.00 4.24 C ATOM 625 O LYS A 39 7.426 -11.263 1.512 1.00 22.23 O ATOM 626 CB LYS A 39 8.566 -12.252 -1.183 1.00 60.51 C ATOM 627 CG LYS A 39 9.178 -13.328 -2.109 1.00 64.25 C ATOM 628 CD LYS A 39 10.337 -12.782 -2.973 1.00 34.21 C ATOM 629 CE LYS A 39 10.814 -13.800 -4.015 1.00 40.14 C ATOM 630 NZ LYS A 39 11.805 -13.215 -4.951 1.00 15.13 N ATOM 0 H LYS A 39 6.430 -12.955 -2.256 1.00 21.11 H new ATOM 0 HA LYS A 39 7.632 -13.547 0.298 1.00 1.42 H new ATOM 0 HB2 LYS A 39 8.272 -11.393 -1.786 1.00 60.51 H new ATOM 0 HB3 LYS A 39 9.332 -11.907 -0.489 1.00 60.51 H new ATOM 0 HG2 LYS A 39 9.542 -14.158 -1.504 1.00 64.25 H new ATOM 0 HG3 LYS A 39 8.400 -13.725 -2.761 1.00 64.25 H new ATOM 0 HD2 LYS A 39 10.013 -11.872 -3.479 1.00 34.21 H new ATOM 0 HD3 LYS A 39 11.171 -12.508 -2.327 1.00 34.21 H new ATOM 0 HE2 LYS A 39 11.257 -14.657 -3.508 1.00 40.14 H new ATOM 0 HE3 LYS A 39 9.958 -14.170 -4.579 1.00 40.14 H new ATOM 0 HZ1 LYS A 39 12.164 -13.957 -5.585 1.00 15.13 H new ATOM 0 HZ2 LYS A 39 11.351 -12.468 -5.515 1.00 15.13 H new ATOM 0 HZ3 LYS A 39 12.595 -12.809 -4.411 1.00 15.13 H new ATOM 644 N VAL A 40 5.625 -11.032 0.127 1.00 64.33 N ATOM 645 CA VAL A 40 4.992 -9.905 0.844 1.00 43.25 C ATOM 646 C VAL A 40 4.781 -10.228 2.343 1.00 32.33 C ATOM 647 O VAL A 40 5.236 -9.480 3.213 1.00 13.22 O ATOM 648 CB VAL A 40 3.593 -9.510 0.224 1.00 33.54 C ATOM 649 CG1 VAL A 40 2.936 -8.390 1.059 1.00 75.21 C ATOM 650 CG2 VAL A 40 3.701 -9.100 -1.270 1.00 42.22 C ATOM 0 H VAL A 40 5.095 -11.344 -0.687 1.00 64.33 H new ATOM 0 HA VAL A 40 5.681 -9.067 0.738 1.00 43.25 H new ATOM 0 HB VAL A 40 2.959 -10.396 0.259 1.00 33.54 H new ATOM 0 HG11 VAL A 40 1.973 -8.127 0.621 1.00 75.21 H new ATOM 0 HG12 VAL A 40 2.787 -8.738 2.081 1.00 75.21 H new ATOM 0 HG13 VAL A 40 3.583 -7.513 1.065 1.00 75.21 H new ATOM 0 HG21 VAL A 40 2.713 -8.838 -1.648 1.00 42.22 H new ATOM 0 HG22 VAL A 40 4.365 -8.241 -1.364 1.00 42.22 H new ATOM 0 HG23 VAL A 40 4.101 -9.933 -1.848 1.00 42.22 H new ATOM 660 N LYS A 41 4.086 -11.350 2.608 1.00 34.01 N ATOM 661 CA LYS A 41 3.677 -11.751 3.969 1.00 31.42 C ATOM 662 C LYS A 41 4.889 -12.008 4.895 1.00 2.31 C ATOM 663 O LYS A 41 4.809 -11.776 6.110 1.00 41.21 O ATOM 664 CB LYS A 41 2.740 -12.992 3.916 1.00 72.20 C ATOM 665 CG LYS A 41 3.325 -14.225 3.186 1.00 22.33 C ATOM 666 CD LYS A 41 2.509 -15.525 3.421 1.00 3.41 C ATOM 667 CE LYS A 41 2.490 -15.966 4.898 1.00 32.44 C ATOM 668 NZ LYS A 41 1.849 -17.298 5.076 1.00 43.30 N ATOM 0 H LYS A 41 3.791 -12.005 1.884 1.00 34.01 H new ATOM 0 HA LYS A 41 3.124 -10.916 4.400 1.00 31.42 H new ATOM 0 HB2 LYS A 41 2.486 -13.280 4.936 1.00 72.20 H new ATOM 0 HB3 LYS A 41 1.810 -12.705 3.425 1.00 72.20 H new ATOM 0 HG2 LYS A 41 3.366 -14.019 2.116 1.00 22.33 H new ATOM 0 HG3 LYS A 41 4.350 -14.383 3.520 1.00 22.33 H new ATOM 0 HD2 LYS A 41 1.485 -15.371 3.080 1.00 3.41 H new ATOM 0 HD3 LYS A 41 2.930 -16.326 2.814 1.00 3.41 H new ATOM 0 HE2 LYS A 41 3.511 -16.002 5.279 1.00 32.44 H new ATOM 0 HE3 LYS A 41 1.955 -15.224 5.491 1.00 32.44 H new ATOM 0 HZ1 LYS A 41 1.858 -17.556 6.084 1.00 43.30 H new ATOM 0 HZ2 LYS A 41 0.867 -17.259 4.737 1.00 43.30 H new ATOM 0 HZ3 LYS A 41 2.374 -18.012 4.532 1.00 43.30 H new ATOM 682 N GLU A 42 6.007 -12.468 4.297 1.00 31.43 N ATOM 683 CA GLU A 42 7.279 -12.686 5.013 1.00 4.50 C ATOM 684 C GLU A 42 7.898 -11.333 5.400 1.00 70.34 C ATOM 685 O GLU A 42 8.362 -11.145 6.525 1.00 21.24 O ATOM 686 CB GLU A 42 8.261 -13.502 4.125 1.00 40.25 C ATOM 687 CG GLU A 42 7.679 -14.820 3.571 1.00 23.12 C ATOM 688 CD GLU A 42 7.091 -15.745 4.655 1.00 51.33 C ATOM 689 OE1 GLU A 42 7.854 -16.475 5.317 1.00 12.34 O ATOM 690 OE2 GLU A 42 5.858 -15.752 4.848 1.00 72.03 O ATOM 0 H GLU A 42 6.053 -12.698 3.304 1.00 31.43 H new ATOM 0 HA GLU A 42 7.084 -13.255 5.922 1.00 4.50 H new ATOM 0 HB2 GLU A 42 8.577 -12.879 3.288 1.00 40.25 H new ATOM 0 HB3 GLU A 42 9.154 -13.730 4.708 1.00 40.25 H new ATOM 0 HG2 GLU A 42 6.900 -14.586 2.845 1.00 23.12 H new ATOM 0 HG3 GLU A 42 8.463 -15.356 3.036 1.00 23.12 H new ATOM 697 N GLU A 43 7.849 -10.394 4.445 1.00 51.45 N ATOM 698 CA GLU A 43 8.354 -9.025 4.615 1.00 42.43 C ATOM 699 C GLU A 43 7.535 -8.216 5.651 1.00 42.24 C ATOM 700 O GLU A 43 8.069 -7.282 6.242 1.00 64.31 O ATOM 701 CB GLU A 43 8.365 -8.303 3.244 1.00 12.42 C ATOM 702 CG GLU A 43 9.426 -8.798 2.244 1.00 21.43 C ATOM 703 CD GLU A 43 10.858 -8.469 2.692 1.00 42.03 C ATOM 704 OE1 GLU A 43 11.147 -7.280 2.931 1.00 50.04 O ATOM 705 OE2 GLU A 43 11.703 -9.383 2.796 1.00 2.32 O ATOM 0 H GLU A 43 7.452 -10.566 3.521 1.00 51.45 H new ATOM 0 HA GLU A 43 9.370 -9.091 5.004 1.00 42.43 H new ATOM 0 HB2 GLU A 43 7.381 -8.412 2.787 1.00 12.42 H new ATOM 0 HB3 GLU A 43 8.521 -7.238 3.415 1.00 12.42 H new ATOM 0 HG2 GLU A 43 9.327 -9.876 2.119 1.00 21.43 H new ATOM 0 HG3 GLU A 43 9.241 -8.346 1.270 1.00 21.43 H new ATOM 712 N ILE A 44 6.246 -8.578 5.840 1.00 31.14 N ATOM 713 CA ILE A 44 5.370 -7.983 6.876 1.00 74.42 C ATOM 714 C ILE A 44 5.872 -8.382 8.283 1.00 4.43 C ATOM 715 O ILE A 44 5.939 -7.532 9.188 1.00 5.52 O ATOM 716 CB ILE A 44 3.858 -8.423 6.678 1.00 22.00 C ATOM 717 CG1 ILE A 44 3.290 -7.859 5.333 1.00 71.23 C ATOM 718 CG2 ILE A 44 2.960 -8.005 7.877 1.00 21.32 C ATOM 719 CD1 ILE A 44 1.855 -8.255 5.027 1.00 1.25 C ATOM 0 H ILE A 44 5.783 -9.292 5.278 1.00 31.14 H new ATOM 0 HA ILE A 44 5.412 -6.898 6.777 1.00 74.42 H new ATOM 0 HB ILE A 44 3.843 -9.512 6.634 1.00 22.00 H new ATOM 0 HG12 ILE A 44 3.354 -6.771 5.357 1.00 71.23 H new ATOM 0 HG13 ILE A 44 3.927 -8.198 4.516 1.00 71.23 H new ATOM 0 HG21 ILE A 44 1.935 -8.328 7.694 1.00 21.32 H new ATOM 0 HG22 ILE A 44 3.331 -8.472 8.789 1.00 21.32 H new ATOM 0 HG23 ILE A 44 2.984 -6.921 7.989 1.00 21.32 H new ATOM 0 HD11 ILE A 44 1.552 -7.817 4.076 1.00 1.25 H new ATOM 0 HD12 ILE A 44 1.782 -9.341 4.966 1.00 1.25 H new ATOM 0 HD13 ILE A 44 1.200 -7.892 5.819 1.00 1.25 H new ATOM 731 N GLU A 45 6.248 -9.676 8.434 1.00 44.20 N ATOM 732 CA GLU A 45 6.823 -10.212 9.692 1.00 12.53 C ATOM 733 C GLU A 45 8.098 -9.435 10.078 1.00 40.43 C ATOM 734 O GLU A 45 8.289 -9.037 11.240 1.00 34.20 O ATOM 735 CB GLU A 45 7.167 -11.725 9.558 1.00 1.04 C ATOM 736 CG GLU A 45 5.988 -12.643 9.188 1.00 14.15 C ATOM 737 CD GLU A 45 4.844 -12.623 10.219 1.00 24.34 C ATOM 738 OE1 GLU A 45 4.993 -13.229 11.303 1.00 14.52 O ATOM 739 OE2 GLU A 45 3.787 -12.010 9.952 1.00 63.12 O ATOM 0 H GLU A 45 6.162 -10.372 7.693 1.00 44.20 H new ATOM 0 HA GLU A 45 6.071 -10.091 10.471 1.00 12.53 H new ATOM 0 HB2 GLU A 45 7.944 -11.837 8.801 1.00 1.04 H new ATOM 0 HB3 GLU A 45 7.590 -12.069 10.502 1.00 1.04 H new ATOM 0 HG2 GLU A 45 5.596 -12.343 8.216 1.00 14.15 H new ATOM 0 HG3 GLU A 45 6.353 -13.665 9.082 1.00 14.15 H new ATOM 746 N LYS A 46 8.937 -9.217 9.056 1.00 5.32 N ATOM 747 CA LYS A 46 10.246 -8.563 9.178 1.00 50.44 C ATOM 748 C LYS A 46 10.111 -7.040 9.391 1.00 63.23 C ATOM 749 O LYS A 46 10.921 -6.454 10.103 1.00 43.15 O ATOM 750 CB LYS A 46 11.075 -8.864 7.905 1.00 63.00 C ATOM 751 CG LYS A 46 11.272 -10.372 7.595 1.00 71.35 C ATOM 752 CD LYS A 46 11.860 -10.616 6.181 1.00 2.22 C ATOM 753 CE LYS A 46 13.255 -9.997 5.992 1.00 30.41 C ATOM 754 NZ LYS A 46 14.275 -10.639 6.863 1.00 24.41 N ATOM 0 H LYS A 46 8.719 -9.497 8.100 1.00 5.32 H new ATOM 0 HA LYS A 46 10.754 -8.960 10.057 1.00 50.44 H new ATOM 0 HB2 LYS A 46 10.587 -8.393 7.052 1.00 63.00 H new ATOM 0 HB3 LYS A 46 12.055 -8.398 8.009 1.00 63.00 H new ATOM 0 HG2 LYS A 46 11.935 -10.809 8.341 1.00 71.35 H new ATOM 0 HG3 LYS A 46 10.314 -10.885 7.680 1.00 71.35 H new ATOM 0 HD2 LYS A 46 11.918 -11.689 5.998 1.00 2.22 H new ATOM 0 HD3 LYS A 46 11.181 -10.202 5.435 1.00 2.22 H new ATOM 0 HE2 LYS A 46 13.556 -10.095 4.949 1.00 30.41 H new ATOM 0 HE3 LYS A 46 13.211 -8.930 6.212 1.00 30.41 H new ATOM 0 HZ1 LYS A 46 15.206 -10.214 6.679 1.00 24.41 H new ATOM 0 HZ2 LYS A 46 14.020 -10.494 7.861 1.00 24.41 H new ATOM 0 HZ3 LYS A 46 14.313 -11.658 6.660 1.00 24.41 H new ATOM 768 N ALA A 47 9.077 -6.418 8.775 1.00 34.33 N ATOM 769 CA ALA A 47 8.871 -4.942 8.801 1.00 73.11 C ATOM 770 C ALA A 47 8.626 -4.424 10.230 1.00 33.00 C ATOM 771 O ALA A 47 9.070 -3.323 10.587 1.00 24.20 O ATOM 772 CB ALA A 47 7.704 -4.535 7.887 1.00 45.33 C ATOM 0 H ALA A 47 8.363 -6.919 8.247 1.00 34.33 H new ATOM 0 HA ALA A 47 9.788 -4.485 8.429 1.00 73.11 H new ATOM 0 HB1 ALA A 47 7.574 -3.453 7.923 1.00 45.33 H new ATOM 0 HB2 ALA A 47 7.920 -4.840 6.863 1.00 45.33 H new ATOM 0 HB3 ALA A 47 6.790 -5.022 8.226 1.00 45.33 H new ATOM 778 N ARG A 48 7.928 -5.248 11.036 1.00 24.02 N ATOM 779 CA ARG A 48 7.667 -4.959 12.464 1.00 63.34 C ATOM 780 C ARG A 48 8.993 -4.931 13.244 1.00 22.33 C ATOM 781 O ARG A 48 9.204 -4.078 14.114 1.00 60.11 O ATOM 782 CB ARG A 48 6.743 -6.035 13.074 1.00 24.20 C ATOM 783 CG ARG A 48 5.460 -6.337 12.281 1.00 32.24 C ATOM 784 CD ARG A 48 4.629 -7.453 12.933 1.00 11.32 C ATOM 785 NE ARG A 48 5.422 -8.672 13.180 1.00 23.44 N ATOM 786 CZ ARG A 48 5.098 -9.899 12.766 1.00 72.32 C ATOM 787 NH1 ARG A 48 3.995 -10.104 12.067 1.00 1.13 N ATOM 788 NH2 ARG A 48 5.895 -10.911 13.045 1.00 1.45 N ATOM 0 H ARG A 48 7.529 -6.131 10.718 1.00 24.02 H new ATOM 0 HA ARG A 48 7.178 -3.987 12.534 1.00 63.34 H new ATOM 0 HB2 ARG A 48 7.311 -6.960 13.177 1.00 24.20 H new ATOM 0 HB3 ARG A 48 6.462 -5.720 14.079 1.00 24.20 H new ATOM 0 HG2 ARG A 48 4.857 -5.432 12.208 1.00 32.24 H new ATOM 0 HG3 ARG A 48 5.723 -6.628 11.264 1.00 32.24 H new ATOM 0 HD2 ARG A 48 4.218 -7.093 13.876 1.00 11.32 H new ATOM 0 HD3 ARG A 48 3.784 -7.697 12.289 1.00 11.32 H new ATOM 0 HE ARG A 48 6.288 -8.569 13.710 1.00 23.44 H new ATOM 0 HH11 ARG A 48 3.383 -9.321 11.839 1.00 1.13 H new ATOM 0 HH12 ARG A 48 3.756 -11.045 11.755 1.00 1.13 H new ATOM 0 HH21 ARG A 48 6.753 -10.754 13.574 1.00 1.45 H new ATOM 0 HH22 ARG A 48 5.654 -11.851 12.732 1.00 1.45 H new ATOM 802 N LYS A 49 9.875 -5.891 12.892 1.00 1.40 N ATOM 803 CA LYS A 49 11.221 -6.033 13.474 1.00 30.42 C ATOM 804 C LYS A 49 12.108 -4.844 13.029 1.00 10.11 C ATOM 805 O LYS A 49 12.950 -4.381 13.801 1.00 74.01 O ATOM 806 CB LYS A 49 11.823 -7.429 13.073 1.00 44.33 C ATOM 807 CG LYS A 49 13.077 -7.902 13.875 1.00 44.20 C ATOM 808 CD LYS A 49 14.417 -7.293 13.380 1.00 71.23 C ATOM 809 CE LYS A 49 15.613 -7.681 14.263 1.00 54.31 C ATOM 810 NZ LYS A 49 15.811 -9.152 14.338 1.00 62.31 N ATOM 0 H LYS A 49 9.666 -6.597 12.186 1.00 1.40 H new ATOM 0 HA LYS A 49 11.172 -6.005 14.563 1.00 30.42 H new ATOM 0 HB2 LYS A 49 11.043 -8.182 13.184 1.00 44.33 H new ATOM 0 HB3 LYS A 49 12.086 -7.396 12.016 1.00 44.33 H new ATOM 0 HG2 LYS A 49 12.940 -7.645 14.925 1.00 44.20 H new ATOM 0 HG3 LYS A 49 13.142 -8.989 13.818 1.00 44.20 H new ATOM 0 HD2 LYS A 49 14.604 -7.623 12.358 1.00 71.23 H new ATOM 0 HD3 LYS A 49 14.329 -6.207 13.353 1.00 71.23 H new ATOM 0 HE2 LYS A 49 16.517 -7.215 13.870 1.00 54.31 H new ATOM 0 HE3 LYS A 49 15.462 -7.286 15.268 1.00 54.31 H new ATOM 0 HZ1 LYS A 49 16.659 -9.360 14.903 1.00 62.31 H new ATOM 0 HZ2 LYS A 49 14.981 -9.592 14.785 1.00 62.31 H new ATOM 0 HZ3 LYS A 49 15.932 -9.535 13.379 1.00 62.31 H new ATOM 824 N GLN A 50 11.854 -4.308 11.806 1.00 31.30 N ATOM 825 CA GLN A 50 12.595 -3.139 11.267 1.00 21.22 C ATOM 826 C GLN A 50 12.080 -1.839 11.912 1.00 41.31 C ATOM 827 O GLN A 50 12.758 -0.807 11.837 1.00 2.24 O ATOM 828 CB GLN A 50 12.436 -3.021 9.713 1.00 43.22 C ATOM 829 CG GLN A 50 12.849 -4.264 8.899 1.00 40.32 C ATOM 830 CD GLN A 50 14.269 -4.761 9.187 1.00 34.33 C ATOM 831 OE1 GLN A 50 15.234 -4.338 8.549 1.00 41.22 O ATOM 832 NE2 GLN A 50 14.398 -5.685 10.130 1.00 45.11 N ATOM 0 H GLN A 50 11.139 -4.669 11.174 1.00 31.30 H new ATOM 0 HA GLN A 50 13.648 -3.288 11.504 1.00 21.22 H new ATOM 0 HB2 GLN A 50 11.394 -2.794 9.490 1.00 43.22 H new ATOM 0 HB3 GLN A 50 13.028 -2.172 9.370 1.00 43.22 H new ATOM 0 HG2 GLN A 50 12.145 -5.070 9.106 1.00 40.32 H new ATOM 0 HG3 GLN A 50 12.766 -4.033 7.837 1.00 40.32 H new ATOM 0 HE21 GLN A 50 13.577 -6.012 10.639 1.00 45.11 H new ATOM 0 HE22 GLN A 50 15.318 -6.068 10.346 1.00 45.11 H new ATOM 841 N GLY A 51 10.878 -1.916 12.547 1.00 24.41 N ATOM 842 CA GLY A 51 10.210 -0.745 13.140 1.00 41.23 C ATOM 843 C GLY A 51 9.759 0.260 12.087 1.00 35.34 C ATOM 844 O GLY A 51 9.495 1.426 12.395 1.00 74.40 O ATOM 0 H GLY A 51 10.357 -2.786 12.656 1.00 24.41 H new ATOM 0 HA2 GLY A 51 9.346 -1.076 13.716 1.00 41.23 H new ATOM 0 HA3 GLY A 51 10.890 -0.256 13.837 1.00 41.23 H new ATOM 848 N ARG A 52 9.678 -0.225 10.839 1.00 54.11 N ATOM 849 CA ARG A 52 9.374 0.567 9.643 1.00 42.13 C ATOM 850 C ARG A 52 8.107 0.021 8.973 1.00 45.11 C ATOM 851 O ARG A 52 7.699 -1.120 9.246 1.00 13.22 O ATOM 852 CB ARG A 52 10.585 0.509 8.648 1.00 75.30 C ATOM 853 CG ARG A 52 11.784 1.416 9.019 1.00 10.33 C ATOM 854 CD ARG A 52 11.396 2.915 9.063 1.00 73.11 C ATOM 855 NE ARG A 52 12.567 3.815 9.049 1.00 10.12 N ATOM 856 CZ ARG A 52 12.749 4.884 9.840 1.00 62.53 C ATOM 857 NH1 ARG A 52 11.840 5.237 10.745 1.00 65.01 N ATOM 858 NH2 ARG A 52 13.832 5.625 9.676 1.00 64.42 N ATOM 0 H ARG A 52 9.828 -1.212 10.630 1.00 54.11 H new ATOM 0 HA ARG A 52 9.203 1.605 9.927 1.00 42.13 H new ATOM 0 HB2 ARG A 52 10.935 -0.521 8.585 1.00 75.30 H new ATOM 0 HB3 ARG A 52 10.233 0.787 7.655 1.00 75.30 H new ATOM 0 HG2 ARG A 52 12.177 1.116 9.991 1.00 10.33 H new ATOM 0 HG3 ARG A 52 12.584 1.271 8.293 1.00 10.33 H new ATOM 0 HD2 ARG A 52 10.758 3.145 8.210 1.00 73.11 H new ATOM 0 HD3 ARG A 52 10.808 3.106 9.961 1.00 73.11 H new ATOM 0 HE ARG A 52 13.305 3.605 8.377 1.00 10.12 H new ATOM 0 HH11 ARG A 52 10.984 4.691 10.848 1.00 65.01 H new ATOM 0 HH12 ARG A 52 11.999 6.053 11.336 1.00 65.01 H new ATOM 0 HH21 ARG A 52 14.513 5.381 8.957 1.00 64.42 H new ATOM 0 HH22 ARG A 52 13.986 6.441 10.268 1.00 64.42 H new ATOM 872 N PRO A 53 7.433 0.837 8.106 1.00 42.33 N ATOM 873 CA PRO A 53 6.357 0.321 7.253 1.00 52.45 C ATOM 874 C PRO A 53 6.886 -0.612 6.142 1.00 55.33 C ATOM 875 O PRO A 53 8.088 -0.639 5.833 1.00 60.01 O ATOM 876 CB PRO A 53 5.714 1.601 6.660 1.00 41.43 C ATOM 877 CG PRO A 53 6.808 2.617 6.683 1.00 74.12 C ATOM 878 CD PRO A 53 7.619 2.310 7.927 1.00 20.41 C ATOM 0 HA PRO A 53 5.649 -0.293 7.810 1.00 52.45 H new ATOM 0 HB2 PRO A 53 5.353 1.430 5.646 1.00 41.43 H new ATOM 0 HB3 PRO A 53 4.859 1.926 7.252 1.00 41.43 H new ATOM 0 HG2 PRO A 53 7.424 2.551 5.786 1.00 74.12 H new ATOM 0 HG3 PRO A 53 6.404 3.629 6.718 1.00 74.12 H new ATOM 0 HD2 PRO A 53 8.670 2.570 7.796 1.00 20.41 H new ATOM 0 HD3 PRO A 53 7.258 2.869 8.790 1.00 20.41 H new ATOM 886 N ILE A 54 5.973 -1.400 5.580 1.00 53.50 N ATOM 887 CA ILE A 54 6.200 -2.119 4.326 1.00 2.34 C ATOM 888 C ILE A 54 5.178 -1.598 3.303 1.00 64.34 C ATOM 889 O ILE A 54 3.970 -1.649 3.548 1.00 11.10 O ATOM 890 CB ILE A 54 6.083 -3.687 4.493 1.00 44.24 C ATOM 891 CG1 ILE A 54 6.128 -4.398 3.095 1.00 12.23 C ATOM 892 CG2 ILE A 54 4.830 -4.087 5.307 1.00 3.33 C ATOM 893 CD1 ILE A 54 5.841 -5.885 3.114 1.00 60.21 C ATOM 0 H ILE A 54 5.050 -1.560 5.983 1.00 53.50 H new ATOM 0 HA ILE A 54 7.220 -1.935 3.987 1.00 2.34 H new ATOM 0 HB ILE A 54 6.945 -4.028 5.066 1.00 44.24 H new ATOM 0 HG12 ILE A 54 5.407 -3.914 2.437 1.00 12.23 H new ATOM 0 HG13 ILE A 54 7.114 -4.241 2.658 1.00 12.23 H new ATOM 0 HG21 ILE A 54 4.787 -5.172 5.399 1.00 3.33 H new ATOM 0 HG22 ILE A 54 4.884 -3.641 6.300 1.00 3.33 H new ATOM 0 HG23 ILE A 54 3.935 -3.730 4.797 1.00 3.33 H new ATOM 0 HD11 ILE A 54 5.897 -6.279 2.099 1.00 60.21 H new ATOM 0 HD12 ILE A 54 6.577 -6.390 3.740 1.00 60.21 H new ATOM 0 HD13 ILE A 54 4.843 -6.058 3.516 1.00 60.21 H new ATOM 905 N VAL A 55 5.668 -1.063 2.175 1.00 34.23 N ATOM 906 CA VAL A 55 4.801 -0.555 1.113 1.00 23.53 C ATOM 907 C VAL A 55 4.645 -1.643 0.034 1.00 64.01 C ATOM 908 O VAL A 55 5.570 -1.924 -0.733 1.00 4.03 O ATOM 909 CB VAL A 55 5.344 0.789 0.506 1.00 11.00 C ATOM 910 CG1 VAL A 55 4.373 1.333 -0.564 1.00 41.41 C ATOM 911 CG2 VAL A 55 5.583 1.841 1.618 1.00 21.24 C ATOM 0 H VAL A 55 6.665 -0.973 1.979 1.00 34.23 H new ATOM 0 HA VAL A 55 3.823 -0.323 1.534 1.00 23.53 H new ATOM 0 HB VAL A 55 6.301 0.583 0.026 1.00 11.00 H new ATOM 0 HG11 VAL A 55 4.766 2.264 -0.973 1.00 41.41 H new ATOM 0 HG12 VAL A 55 4.267 0.601 -1.365 1.00 41.41 H new ATOM 0 HG13 VAL A 55 3.399 1.518 -0.111 1.00 41.41 H new ATOM 0 HG21 VAL A 55 5.959 2.762 1.173 1.00 21.24 H new ATOM 0 HG22 VAL A 55 4.645 2.044 2.135 1.00 21.24 H new ATOM 0 HG23 VAL A 55 6.314 1.458 2.330 1.00 21.24 H new ATOM 921 N VAL A 56 3.458 -2.263 0.027 1.00 71.10 N ATOM 922 CA VAL A 56 3.102 -3.359 -0.875 1.00 62.20 C ATOM 923 C VAL A 56 2.346 -2.805 -2.083 1.00 62.20 C ATOM 924 O VAL A 56 1.231 -2.294 -1.946 1.00 25.45 O ATOM 925 CB VAL A 56 2.197 -4.409 -0.145 1.00 51.45 C ATOM 926 CG1 VAL A 56 1.898 -5.626 -1.054 1.00 41.44 C ATOM 927 CG2 VAL A 56 2.821 -4.830 1.205 1.00 11.35 C ATOM 0 H VAL A 56 2.703 -2.009 0.664 1.00 71.10 H new ATOM 0 HA VAL A 56 4.021 -3.848 -1.199 1.00 62.20 H new ATOM 0 HB VAL A 56 1.239 -3.937 0.073 1.00 51.45 H new ATOM 0 HG11 VAL A 56 1.268 -6.335 -0.517 1.00 41.44 H new ATOM 0 HG12 VAL A 56 1.381 -5.290 -1.953 1.00 41.44 H new ATOM 0 HG13 VAL A 56 2.834 -6.111 -1.333 1.00 41.44 H new ATOM 0 HG21 VAL A 56 2.174 -5.559 1.693 1.00 11.35 H new ATOM 0 HG22 VAL A 56 3.801 -5.274 1.030 1.00 11.35 H new ATOM 0 HG23 VAL A 56 2.928 -3.954 1.845 1.00 11.35 H new ATOM 937 N PHE A 57 2.962 -2.903 -3.250 1.00 4.43 N ATOM 938 CA PHE A 57 2.374 -2.462 -4.506 1.00 62.21 C ATOM 939 C PHE A 57 1.520 -3.585 -5.090 1.00 12.35 C ATOM 940 O PHE A 57 2.012 -4.694 -5.321 1.00 32.42 O ATOM 941 CB PHE A 57 3.504 -2.036 -5.457 1.00 34.34 C ATOM 942 CG PHE A 57 4.293 -0.859 -4.892 1.00 72.34 C ATOM 943 CD1 PHE A 57 3.721 0.415 -4.861 1.00 24.34 C ATOM 944 CD2 PHE A 57 5.565 -1.025 -4.349 1.00 3.00 C ATOM 945 CE1 PHE A 57 4.398 1.483 -4.318 1.00 35.14 C ATOM 946 CE2 PHE A 57 6.243 0.048 -3.812 1.00 1.21 C ATOM 947 CZ PHE A 57 5.657 1.299 -3.792 1.00 44.54 C ATOM 0 H PHE A 57 3.897 -3.296 -3.354 1.00 4.43 H new ATOM 0 HA PHE A 57 1.720 -1.604 -4.350 1.00 62.21 H new ATOM 0 HB2 PHE A 57 4.175 -2.878 -5.627 1.00 34.34 H new ATOM 0 HB3 PHE A 57 3.084 -1.763 -6.425 1.00 34.34 H new ATOM 0 HD1 PHE A 57 2.732 0.564 -5.269 1.00 24.34 H new ATOM 0 HD2 PHE A 57 6.024 -2.003 -4.349 1.00 3.00 H new ATOM 0 HE1 PHE A 57 3.943 2.462 -4.305 1.00 35.14 H new ATOM 0 HE2 PHE A 57 7.234 -0.089 -3.406 1.00 1.21 H new ATOM 0 HZ PHE A 57 6.188 2.135 -3.362 1.00 44.54 H new ATOM 957 N VAL A 58 0.233 -3.282 -5.253 1.00 62.00 N ATOM 958 CA VAL A 58 -0.792 -4.171 -5.818 1.00 61.34 C ATOM 959 C VAL A 58 -1.345 -3.519 -7.106 1.00 13.33 C ATOM 960 O VAL A 58 -1.299 -2.301 -7.240 1.00 41.43 O ATOM 961 CB VAL A 58 -1.935 -4.415 -4.754 1.00 42.54 C ATOM 962 CG1 VAL A 58 -3.085 -5.266 -5.329 1.00 74.51 C ATOM 963 CG2 VAL A 58 -1.363 -5.054 -3.457 1.00 52.44 C ATOM 0 H VAL A 58 -0.144 -2.373 -4.985 1.00 62.00 H new ATOM 0 HA VAL A 58 -0.365 -5.142 -6.068 1.00 61.34 H new ATOM 0 HB VAL A 58 -2.351 -3.440 -4.498 1.00 42.54 H new ATOM 0 HG11 VAL A 58 -3.849 -5.409 -4.565 1.00 74.51 H new ATOM 0 HG12 VAL A 58 -3.522 -4.755 -6.187 1.00 74.51 H new ATOM 0 HG13 VAL A 58 -2.699 -6.236 -5.642 1.00 74.51 H new ATOM 0 HG21 VAL A 58 -2.171 -5.211 -2.742 1.00 52.44 H new ATOM 0 HG22 VAL A 58 -0.899 -6.011 -3.697 1.00 52.44 H new ATOM 0 HG23 VAL A 58 -0.617 -4.389 -3.022 1.00 52.44 H new ATOM 973 N ARG A 59 -1.799 -4.329 -8.080 1.00 2.12 N ATOM 974 CA ARG A 59 -2.380 -3.826 -9.344 1.00 13.11 C ATOM 975 C ARG A 59 -3.914 -3.659 -9.180 1.00 21.14 C ATOM 976 O ARG A 59 -4.525 -4.326 -8.339 1.00 51.31 O ATOM 977 CB ARG A 59 -2.022 -4.815 -10.498 1.00 31.43 C ATOM 978 CG ARG A 59 -2.618 -4.456 -11.876 1.00 31.02 C ATOM 979 CD ARG A 59 -2.337 -5.509 -12.964 1.00 53.42 C ATOM 980 NE ARG A 59 -0.928 -5.541 -13.402 1.00 0.42 N ATOM 981 CZ ARG A 59 -0.450 -6.318 -14.396 1.00 43.40 C ATOM 982 NH1 ARG A 59 -1.244 -7.157 -15.065 1.00 12.33 N ATOM 983 NH2 ARG A 59 0.824 -6.236 -14.728 1.00 33.41 N ATOM 0 H ARG A 59 -1.775 -5.347 -8.016 1.00 2.12 H new ATOM 0 HA ARG A 59 -1.966 -2.849 -9.594 1.00 13.11 H new ATOM 0 HB2 ARG A 59 -0.937 -4.864 -10.590 1.00 31.43 H new ATOM 0 HB3 ARG A 59 -2.364 -5.812 -10.220 1.00 31.43 H new ATOM 0 HG2 ARG A 59 -3.696 -4.330 -11.774 1.00 31.02 H new ATOM 0 HG3 ARG A 59 -2.214 -3.496 -12.198 1.00 31.02 H new ATOM 0 HD2 ARG A 59 -2.614 -6.493 -12.586 1.00 53.42 H new ATOM 0 HD3 ARG A 59 -2.973 -5.308 -13.826 1.00 53.42 H new ATOM 0 HE ARG A 59 -0.268 -4.932 -12.918 1.00 0.42 H new ATOM 0 HH11 ARG A 59 -2.234 -7.220 -14.828 1.00 12.33 H new ATOM 0 HH12 ARG A 59 -0.861 -7.735 -15.813 1.00 12.33 H new ATOM 0 HH21 ARG A 59 1.439 -5.589 -14.234 1.00 33.41 H new ATOM 0 HH22 ARG A 59 1.194 -6.820 -15.478 1.00 33.41 H new ATOM 997 N GLY A 60 -4.518 -2.758 -9.987 1.00 71.24 N ATOM 998 CA GLY A 60 -5.974 -2.575 -10.051 1.00 14.22 C ATOM 999 C GLY A 60 -6.662 -3.751 -10.748 1.00 52.10 C ATOM 1000 O GLY A 60 -6.789 -3.766 -11.975 1.00 24.34 O ATOM 0 H GLY A 60 -4.002 -2.138 -10.612 1.00 71.24 H new ATOM 0 HA2 GLY A 60 -6.372 -2.467 -9.042 1.00 14.22 H new ATOM 0 HA3 GLY A 60 -6.202 -1.652 -10.584 1.00 14.22 H new ATOM 1004 N GLY A 61 -7.063 -4.750 -9.946 1.00 61.33 N ATOM 1005 CA GLY A 61 -7.596 -6.028 -10.450 1.00 2.23 C ATOM 1006 C GLY A 61 -6.985 -7.201 -9.697 1.00 5.31 C ATOM 1007 O GLY A 61 -7.590 -8.268 -9.567 1.00 71.41 O ATOM 0 H GLY A 61 -7.027 -4.695 -8.928 1.00 61.33 H new ATOM 0 HA2 GLY A 61 -8.680 -6.044 -10.340 1.00 2.23 H new ATOM 0 HA3 GLY A 61 -7.382 -6.122 -11.515 1.00 2.23 H new ATOM 1011 N ASP A 62 -5.787 -6.943 -9.159 1.00 62.34 N ATOM 1012 CA ASP A 62 -5.026 -7.848 -8.271 1.00 63.44 C ATOM 1013 C ASP A 62 -5.471 -7.626 -6.787 1.00 4.12 C ATOM 1014 O ASP A 62 -4.770 -7.984 -5.842 1.00 21.02 O ATOM 1015 CB ASP A 62 -3.513 -7.521 -8.523 1.00 65.02 C ATOM 1016 CG ASP A 62 -2.466 -8.284 -7.685 1.00 63.25 C ATOM 1017 OD1 ASP A 62 -2.586 -9.513 -7.522 1.00 54.04 O ATOM 1018 OD2 ASP A 62 -1.485 -7.646 -7.217 1.00 13.23 O ATOM 0 H ASP A 62 -5.297 -6.066 -9.333 1.00 62.34 H new ATOM 0 HA ASP A 62 -5.208 -8.903 -8.476 1.00 63.44 H new ATOM 0 HB2 ASP A 62 -3.300 -7.707 -9.576 1.00 65.02 H new ATOM 0 HB3 ASP A 62 -3.367 -6.454 -8.352 1.00 65.02 H new ATOM 1023 N ASP A 63 -6.695 -7.059 -6.607 1.00 52.41 N ATOM 1024 CA ASP A 63 -7.238 -6.647 -5.291 1.00 62.21 C ATOM 1025 C ASP A 63 -7.460 -7.833 -4.322 1.00 72.01 C ATOM 1026 O ASP A 63 -7.427 -7.635 -3.103 1.00 73.23 O ATOM 1027 CB ASP A 63 -8.554 -5.855 -5.483 1.00 22.23 C ATOM 1028 CG ASP A 63 -9.182 -5.405 -4.149 1.00 42.11 C ATOM 1029 OD1 ASP A 63 -8.557 -4.585 -3.448 1.00 4.10 O ATOM 1030 OD2 ASP A 63 -10.289 -5.872 -3.783 1.00 41.23 O ATOM 0 H ASP A 63 -7.334 -6.875 -7.380 1.00 52.41 H new ATOM 0 HA ASP A 63 -6.486 -6.008 -4.828 1.00 62.21 H new ATOM 0 HB2 ASP A 63 -8.358 -4.979 -6.101 1.00 22.23 H new ATOM 0 HB3 ASP A 63 -9.269 -6.474 -6.025 1.00 22.23 H new ATOM 1035 N GLU A 64 -7.673 -9.054 -4.874 1.00 21.53 N ATOM 1036 CA GLU A 64 -7.799 -10.292 -4.069 1.00 2.42 C ATOM 1037 C GLU A 64 -6.557 -10.470 -3.170 1.00 30.44 C ATOM 1038 O GLU A 64 -6.664 -10.818 -1.988 1.00 4.05 O ATOM 1039 CB GLU A 64 -7.973 -11.527 -4.986 1.00 44.44 C ATOM 1040 CG GLU A 64 -8.093 -12.866 -4.224 1.00 71.13 C ATOM 1041 CD GLU A 64 -8.104 -14.078 -5.161 1.00 50.13 C ATOM 1042 OE1 GLU A 64 -9.175 -14.397 -5.723 1.00 3.34 O ATOM 1043 OE2 GLU A 64 -7.039 -14.703 -5.359 1.00 24.44 O ATOM 0 H GLU A 64 -7.761 -9.206 -5.879 1.00 21.53 H new ATOM 0 HA GLU A 64 -8.684 -10.203 -3.439 1.00 2.42 H new ATOM 0 HB2 GLU A 64 -8.864 -11.389 -5.599 1.00 44.44 H new ATOM 0 HB3 GLU A 64 -7.124 -11.583 -5.667 1.00 44.44 H new ATOM 0 HG2 GLU A 64 -7.261 -12.958 -3.526 1.00 71.13 H new ATOM 0 HG3 GLU A 64 -9.007 -12.862 -3.631 1.00 71.13 H new ATOM 1050 N ARG A 65 -5.397 -10.182 -3.759 1.00 1.04 N ATOM 1051 CA ARG A 65 -4.108 -10.190 -3.072 1.00 20.21 C ATOM 1052 C ARG A 65 -4.067 -9.089 -1.989 1.00 53.24 C ATOM 1053 O ARG A 65 -3.717 -9.377 -0.844 1.00 5.02 O ATOM 1054 CB ARG A 65 -2.983 -10.016 -4.124 1.00 20.02 C ATOM 1055 CG ARG A 65 -1.584 -9.756 -3.553 1.00 42.32 C ATOM 1056 CD ARG A 65 -0.506 -9.646 -4.636 1.00 23.33 C ATOM 1057 NE ARG A 65 0.761 -9.098 -4.110 1.00 73.12 N ATOM 1058 CZ ARG A 65 1.284 -7.912 -4.465 1.00 41.42 C ATOM 1059 NH1 ARG A 65 0.662 -7.142 -5.343 1.00 4.23 N ATOM 1060 NH2 ARG A 65 2.437 -7.509 -3.951 1.00 55.53 N ATOM 0 H ARG A 65 -5.327 -9.932 -4.745 1.00 1.04 H new ATOM 0 HA ARG A 65 -3.959 -11.140 -2.559 1.00 20.21 H new ATOM 0 HB2 ARG A 65 -2.944 -10.913 -4.741 1.00 20.02 H new ATOM 0 HB3 ARG A 65 -3.248 -9.188 -4.781 1.00 20.02 H new ATOM 0 HG2 ARG A 65 -1.601 -8.835 -2.970 1.00 42.32 H new ATOM 0 HG3 ARG A 65 -1.322 -10.562 -2.868 1.00 42.32 H new ATOM 0 HD2 ARG A 65 -0.323 -10.631 -5.065 1.00 23.33 H new ATOM 0 HD3 ARG A 65 -0.868 -9.009 -5.443 1.00 23.33 H new ATOM 0 HE ARG A 65 1.275 -9.659 -3.430 1.00 73.12 H new ATOM 0 HH11 ARG A 65 -0.220 -7.447 -5.755 1.00 4.23 H new ATOM 0 HH12 ARG A 65 1.064 -6.243 -5.608 1.00 4.23 H new ATOM 0 HH21 ARG A 65 2.932 -8.100 -3.283 1.00 55.53 H new ATOM 0 HH22 ARG A 65 2.830 -6.608 -4.224 1.00 55.53 H new ATOM 1074 N ALA A 66 -4.488 -7.855 -2.358 1.00 51.34 N ATOM 1075 CA ALA A 66 -4.447 -6.672 -1.462 1.00 34.31 C ATOM 1076 C ALA A 66 -5.199 -6.894 -0.137 1.00 4.55 C ATOM 1077 O ALA A 66 -4.641 -6.660 0.934 1.00 1.13 O ATOM 1078 CB ALA A 66 -5.015 -5.440 -2.172 1.00 21.34 C ATOM 0 H ALA A 66 -4.865 -7.651 -3.284 1.00 51.34 H new ATOM 0 HA ALA A 66 -3.397 -6.511 -1.217 1.00 34.31 H new ATOM 0 HB1 ALA A 66 -4.977 -4.583 -1.500 1.00 21.34 H new ATOM 0 HB2 ALA A 66 -4.424 -5.229 -3.063 1.00 21.34 H new ATOM 0 HB3 ALA A 66 -6.049 -5.630 -2.459 1.00 21.34 H new ATOM 1084 N LYS A 67 -6.463 -7.350 -0.240 1.00 52.02 N ATOM 1085 CA LYS A 67 -7.352 -7.569 0.931 1.00 5.23 C ATOM 1086 C LYS A 67 -6.821 -8.672 1.875 1.00 22.35 C ATOM 1087 O LYS A 67 -6.938 -8.543 3.094 1.00 53.45 O ATOM 1088 CB LYS A 67 -8.806 -7.897 0.471 1.00 32.45 C ATOM 1089 CG LYS A 67 -8.899 -9.032 -0.579 1.00 5.02 C ATOM 1090 CD LYS A 67 -10.341 -9.484 -0.912 1.00 22.33 C ATOM 1091 CE LYS A 67 -10.971 -10.316 0.217 1.00 13.51 C ATOM 1092 NZ LYS A 67 -10.217 -11.576 0.473 1.00 25.30 N ATOM 0 H LYS A 67 -6.901 -7.578 -1.133 1.00 52.02 H new ATOM 0 HA LYS A 67 -7.363 -6.638 1.497 1.00 5.23 H new ATOM 0 HB2 LYS A 67 -9.397 -8.175 1.344 1.00 32.45 H new ATOM 0 HB3 LYS A 67 -9.256 -6.995 0.056 1.00 32.45 H new ATOM 0 HG2 LYS A 67 -8.415 -8.700 -1.497 1.00 5.02 H new ATOM 0 HG3 LYS A 67 -8.337 -9.892 -0.216 1.00 5.02 H new ATOM 0 HD2 LYS A 67 -10.959 -8.606 -1.101 1.00 22.33 H new ATOM 0 HD3 LYS A 67 -10.332 -10.071 -1.830 1.00 22.33 H new ATOM 0 HE2 LYS A 67 -11.003 -9.722 1.130 1.00 13.51 H new ATOM 0 HE3 LYS A 67 -12.002 -10.557 -0.043 1.00 13.51 H new ATOM 0 HZ1 LYS A 67 -10.856 -12.390 0.368 1.00 25.30 H new ATOM 0 HZ2 LYS A 67 -9.436 -11.658 -0.209 1.00 25.30 H new ATOM 0 HZ3 LYS A 67 -9.832 -11.560 1.439 1.00 25.30 H new ATOM 1106 N ASP A 68 -6.242 -9.745 1.306 1.00 34.35 N ATOM 1107 CA ASP A 68 -5.688 -10.868 2.102 1.00 71.24 C ATOM 1108 C ASP A 68 -4.378 -10.480 2.817 1.00 72.31 C ATOM 1109 O ASP A 68 -4.120 -10.954 3.928 1.00 2.31 O ATOM 1110 CB ASP A 68 -5.492 -12.131 1.221 1.00 11.35 C ATOM 1111 CG ASP A 68 -6.803 -12.917 1.019 1.00 14.45 C ATOM 1112 OD1 ASP A 68 -7.555 -12.614 0.071 1.00 42.01 O ATOM 1113 OD2 ASP A 68 -7.098 -13.822 1.834 1.00 71.32 O ATOM 0 H ASP A 68 -6.143 -9.863 0.298 1.00 34.35 H new ATOM 0 HA ASP A 68 -6.417 -11.104 2.877 1.00 71.24 H new ATOM 0 HB2 ASP A 68 -5.096 -11.835 0.250 1.00 11.35 H new ATOM 0 HB3 ASP A 68 -4.749 -12.781 1.683 1.00 11.35 H new ATOM 1118 N ILE A 69 -3.565 -9.635 2.161 1.00 11.14 N ATOM 1119 CA ILE A 69 -2.345 -9.041 2.756 1.00 10.53 C ATOM 1120 C ILE A 69 -2.735 -8.059 3.876 1.00 65.52 C ATOM 1121 O ILE A 69 -2.107 -8.019 4.941 1.00 50.10 O ATOM 1122 CB ILE A 69 -1.504 -8.294 1.652 1.00 51.14 C ATOM 1123 CG1 ILE A 69 -0.928 -9.311 0.618 1.00 51.22 C ATOM 1124 CG2 ILE A 69 -0.378 -7.421 2.261 1.00 21.33 C ATOM 1125 CD1 ILE A 69 -0.240 -8.663 -0.568 1.00 62.04 C ATOM 0 H ILE A 69 -3.732 -9.340 1.199 1.00 11.14 H new ATOM 0 HA ILE A 69 -1.735 -9.840 3.177 1.00 10.53 H new ATOM 0 HB ILE A 69 -2.182 -7.616 1.133 1.00 51.14 H new ATOM 0 HG12 ILE A 69 -0.218 -9.965 1.124 1.00 51.22 H new ATOM 0 HG13 ILE A 69 -1.739 -9.942 0.254 1.00 51.22 H new ATOM 0 HG21 ILE A 69 0.173 -6.927 1.460 1.00 21.33 H new ATOM 0 HG22 ILE A 69 -0.815 -6.669 2.918 1.00 21.33 H new ATOM 0 HG23 ILE A 69 0.302 -8.052 2.834 1.00 21.33 H new ATOM 0 HD11 ILE A 69 0.133 -9.436 -1.240 1.00 62.04 H new ATOM 0 HD12 ILE A 69 -0.951 -8.031 -1.101 1.00 62.04 H new ATOM 0 HD13 ILE A 69 0.594 -8.055 -0.217 1.00 62.04 H new ATOM 1137 N ALA A 70 -3.808 -7.302 3.607 1.00 5.21 N ATOM 1138 CA ALA A 70 -4.341 -6.275 4.503 1.00 54.13 C ATOM 1139 C ALA A 70 -4.843 -6.886 5.803 1.00 14.22 C ATOM 1140 O ALA A 70 -4.572 -6.372 6.883 1.00 22.45 O ATOM 1141 CB ALA A 70 -5.481 -5.543 3.802 1.00 13.42 C ATOM 0 H ALA A 70 -4.339 -7.391 2.741 1.00 5.21 H new ATOM 0 HA ALA A 70 -3.541 -5.576 4.747 1.00 54.13 H new ATOM 0 HB1 ALA A 70 -5.883 -4.776 4.464 1.00 13.42 H new ATOM 0 HB2 ALA A 70 -5.108 -5.076 2.891 1.00 13.42 H new ATOM 0 HB3 ALA A 70 -6.268 -6.253 3.549 1.00 13.42 H new ATOM 1147 N GLU A 71 -5.578 -8.000 5.658 1.00 14.02 N ATOM 1148 CA GLU A 71 -6.189 -8.718 6.780 1.00 20.33 C ATOM 1149 C GLU A 71 -5.118 -9.457 7.602 1.00 3.34 C ATOM 1150 O GLU A 71 -5.253 -9.616 8.814 1.00 24.13 O ATOM 1151 CB GLU A 71 -7.252 -9.716 6.253 1.00 52.35 C ATOM 1152 CG GLU A 71 -8.306 -10.143 7.289 1.00 52.33 C ATOM 1153 CD GLU A 71 -9.254 -8.997 7.707 1.00 45.51 C ATOM 1154 OE1 GLU A 71 -8.923 -8.223 8.640 1.00 75.44 O ATOM 1155 OE2 GLU A 71 -10.333 -8.845 7.087 1.00 25.20 O ATOM 0 H GLU A 71 -5.764 -8.428 4.751 1.00 14.02 H new ATOM 0 HA GLU A 71 -6.677 -7.994 7.433 1.00 20.33 H new ATOM 0 HB2 GLU A 71 -7.762 -9.266 5.401 1.00 52.35 H new ATOM 0 HB3 GLU A 71 -6.743 -10.607 5.885 1.00 52.35 H new ATOM 0 HG2 GLU A 71 -8.897 -10.962 6.879 1.00 52.33 H new ATOM 0 HG3 GLU A 71 -7.800 -10.527 8.175 1.00 52.33 H new ATOM 1162 N TYR A 72 -4.068 -9.911 6.895 1.00 74.23 N ATOM 1163 CA TYR A 72 -2.900 -10.598 7.485 1.00 50.22 C ATOM 1164 C TYR A 72 -2.082 -9.621 8.354 1.00 31.52 C ATOM 1165 O TYR A 72 -1.608 -9.969 9.444 1.00 25.04 O ATOM 1166 CB TYR A 72 -2.042 -11.180 6.327 1.00 32.35 C ATOM 1167 CG TYR A 72 -0.745 -11.888 6.737 1.00 70.05 C ATOM 1168 CD1 TYR A 72 -0.717 -13.261 7.006 1.00 72.32 C ATOM 1169 CD2 TYR A 72 0.460 -11.184 6.833 1.00 24.53 C ATOM 1170 CE1 TYR A 72 0.457 -13.893 7.351 1.00 40.14 C ATOM 1171 CE2 TYR A 72 1.627 -11.814 7.185 1.00 75.34 C ATOM 1172 CZ TYR A 72 1.622 -13.165 7.439 1.00 70.33 C ATOM 1173 OH TYR A 72 2.794 -13.800 7.760 1.00 31.41 O ATOM 0 H TYR A 72 -4.004 -9.811 5.882 1.00 74.23 H new ATOM 0 HA TYR A 72 -3.227 -11.409 8.136 1.00 50.22 H new ATOM 0 HB2 TYR A 72 -2.656 -11.886 5.767 1.00 32.35 H new ATOM 0 HB3 TYR A 72 -1.789 -10.367 5.646 1.00 32.35 H new ATOM 0 HD1 TYR A 72 -1.630 -13.834 6.942 1.00 72.32 H new ATOM 0 HD2 TYR A 72 0.472 -10.124 6.626 1.00 24.53 H new ATOM 0 HE1 TYR A 72 0.464 -14.954 7.551 1.00 40.14 H new ATOM 0 HE2 TYR A 72 2.545 -11.251 7.262 1.00 75.34 H new ATOM 0 HH TYR A 72 3.420 -13.154 8.150 1.00 31.41 H new ATOM 1183 N ALA A 73 -1.924 -8.397 7.838 1.00 45.23 N ATOM 1184 CA ALA A 73 -1.209 -7.307 8.513 1.00 22.42 C ATOM 1185 C ALA A 73 -1.993 -6.824 9.746 1.00 5.35 C ATOM 1186 O ALA A 73 -1.443 -6.664 10.838 1.00 43.14 O ATOM 1187 CB ALA A 73 -1.027 -6.163 7.515 1.00 42.03 C ATOM 0 H ALA A 73 -2.295 -8.131 6.926 1.00 45.23 H new ATOM 0 HA ALA A 73 -0.237 -7.661 8.858 1.00 22.42 H new ATOM 0 HB1 ALA A 73 -0.497 -5.341 7.996 1.00 42.03 H new ATOM 0 HB2 ALA A 73 -0.451 -6.515 6.659 1.00 42.03 H new ATOM 0 HB3 ALA A 73 -2.004 -5.816 7.177 1.00 42.03 H new ATOM 1193 N GLN A 74 -3.300 -6.626 9.531 1.00 62.51 N ATOM 1194 CA GLN A 74 -4.260 -6.153 10.546 1.00 42.12 C ATOM 1195 C GLN A 74 -4.413 -7.207 11.659 1.00 12.24 C ATOM 1196 O GLN A 74 -4.724 -6.870 12.801 1.00 5.03 O ATOM 1197 CB GLN A 74 -5.606 -5.820 9.830 1.00 11.22 C ATOM 1198 CG GLN A 74 -6.579 -4.857 10.570 1.00 42.35 C ATOM 1199 CD GLN A 74 -7.573 -5.561 11.483 1.00 33.25 C ATOM 1200 OE1 GLN A 74 -7.360 -5.692 12.687 1.00 62.13 O ATOM 1201 NE2 GLN A 74 -8.646 -6.062 10.891 1.00 34.34 N ATOM 0 H GLN A 74 -3.734 -6.794 8.623 1.00 62.51 H new ATOM 0 HA GLN A 74 -3.903 -5.245 11.033 1.00 42.12 H new ATOM 0 HB2 GLN A 74 -5.374 -5.386 8.857 1.00 11.22 H new ATOM 0 HB3 GLN A 74 -6.132 -6.756 9.644 1.00 11.22 H new ATOM 0 HG2 GLN A 74 -5.995 -4.151 11.161 1.00 42.35 H new ATOM 0 HG3 GLN A 74 -7.130 -4.275 9.831 1.00 42.35 H new ATOM 0 HE21 GLN A 74 -8.784 -5.930 9.889 1.00 34.34 H new ATOM 0 HE22 GLN A 74 -9.335 -6.580 11.437 1.00 34.34 H new ATOM 1210 N LYS A 75 -4.182 -8.489 11.298 1.00 0.40 N ATOM 1211 CA LYS A 75 -4.166 -9.619 12.248 1.00 62.41 C ATOM 1212 C LYS A 75 -3.040 -9.471 13.291 1.00 15.44 C ATOM 1213 O LYS A 75 -3.192 -9.886 14.446 1.00 45.43 O ATOM 1214 CB LYS A 75 -4.026 -10.964 11.478 1.00 71.23 C ATOM 1215 CG LYS A 75 -4.105 -12.273 12.326 1.00 14.44 C ATOM 1216 CD LYS A 75 -5.547 -12.731 12.708 1.00 31.25 C ATOM 1217 CE LYS A 75 -6.267 -11.832 13.741 1.00 22.52 C ATOM 1218 NZ LYS A 75 -5.514 -11.702 15.019 1.00 14.23 N ATOM 0 H LYS A 75 -4.001 -8.768 10.334 1.00 0.40 H new ATOM 0 HA LYS A 75 -5.113 -9.616 12.788 1.00 62.41 H new ATOM 0 HB2 LYS A 75 -4.807 -11.004 10.719 1.00 71.23 H new ATOM 0 HB3 LYS A 75 -3.071 -10.957 10.953 1.00 71.23 H new ATOM 0 HG2 LYS A 75 -3.621 -13.076 11.771 1.00 14.44 H new ATOM 0 HG3 LYS A 75 -3.532 -12.129 13.242 1.00 14.44 H new ATOM 0 HD2 LYS A 75 -6.151 -12.772 11.801 1.00 31.25 H new ATOM 0 HD3 LYS A 75 -5.497 -13.745 13.104 1.00 31.25 H new ATOM 0 HE2 LYS A 75 -6.417 -10.842 13.311 1.00 22.52 H new ATOM 0 HE3 LYS A 75 -7.255 -12.243 13.947 1.00 22.52 H new ATOM 0 HZ1 LYS A 75 -6.135 -11.297 15.748 1.00 14.23 H new ATOM 0 HZ2 LYS A 75 -5.186 -12.640 15.326 1.00 14.23 H new ATOM 0 HZ3 LYS A 75 -4.694 -11.078 14.877 1.00 14.23 H new ATOM 1232 N GLU A 76 -1.916 -8.855 12.871 1.00 73.02 N ATOM 1233 CA GLU A 76 -0.777 -8.548 13.767 1.00 13.34 C ATOM 1234 C GLU A 76 -0.978 -7.186 14.478 1.00 63.33 C ATOM 1235 O GLU A 76 -0.070 -6.701 15.165 1.00 11.00 O ATOM 1236 CB GLU A 76 0.538 -8.560 12.942 1.00 52.51 C ATOM 1237 CG GLU A 76 0.754 -9.823 12.077 1.00 74.41 C ATOM 1238 CD GLU A 76 0.790 -11.123 12.903 1.00 34.53 C ATOM 1239 OE1 GLU A 76 1.878 -11.520 13.371 1.00 2.22 O ATOM 1240 OE2 GLU A 76 -0.275 -11.752 13.096 1.00 60.22 O ATOM 0 H GLU A 76 -1.770 -8.557 11.906 1.00 73.02 H new ATOM 0 HA GLU A 76 -0.718 -9.310 14.544 1.00 13.34 H new ATOM 0 HB2 GLU A 76 0.549 -7.686 12.291 1.00 52.51 H new ATOM 0 HB3 GLU A 76 1.380 -8.458 13.627 1.00 52.51 H new ATOM 0 HG2 GLU A 76 -0.045 -9.891 11.338 1.00 74.41 H new ATOM 0 HG3 GLU A 76 1.690 -9.723 11.527 1.00 74.41 H new ATOM 1247 N GLY A 77 -2.176 -6.592 14.297 1.00 23.11 N ATOM 1248 CA GLY A 77 -2.536 -5.310 14.906 1.00 12.33 C ATOM 1249 C GLY A 77 -1.767 -4.140 14.317 1.00 34.41 C ATOM 1250 O GLY A 77 -1.493 -3.160 15.016 1.00 34.41 O ATOM 0 H GLY A 77 -2.917 -6.994 13.722 1.00 23.11 H new ATOM 0 HA2 GLY A 77 -3.605 -5.139 14.776 1.00 12.33 H new ATOM 0 HA3 GLY A 77 -2.349 -5.358 15.979 1.00 12.33 H new ATOM 1254 N LEU A 78 -1.400 -4.256 13.026 1.00 34.12 N ATOM 1255 CA LEU A 78 -0.596 -3.239 12.322 1.00 43.41 C ATOM 1256 C LEU A 78 -1.506 -2.185 11.680 1.00 32.35 C ATOM 1257 O LEU A 78 -2.650 -2.490 11.311 1.00 24.22 O ATOM 1258 CB LEU A 78 0.301 -3.907 11.243 1.00 35.13 C ATOM 1259 CG LEU A 78 1.222 -5.069 11.743 1.00 5.20 C ATOM 1260 CD1 LEU A 78 2.150 -5.568 10.619 1.00 54.22 C ATOM 1261 CD2 LEU A 78 2.013 -4.678 13.011 1.00 21.11 C ATOM 0 H LEU A 78 -1.652 -5.055 12.444 1.00 34.12 H new ATOM 0 HA LEU A 78 0.047 -2.744 13.050 1.00 43.41 H new ATOM 0 HB2 LEU A 78 -0.342 -4.294 10.452 1.00 35.13 H new ATOM 0 HB3 LEU A 78 0.930 -3.138 10.795 1.00 35.13 H new ATOM 0 HG LEU A 78 0.573 -5.898 12.025 1.00 5.20 H new ATOM 0 HD11 LEU A 78 2.778 -6.375 10.997 1.00 54.22 H new ATOM 0 HD12 LEU A 78 1.549 -5.935 9.787 1.00 54.22 H new ATOM 0 HD13 LEU A 78 2.781 -4.748 10.277 1.00 54.22 H new ATOM 0 HD21 LEU A 78 2.639 -5.515 13.322 1.00 21.11 H new ATOM 0 HD22 LEU A 78 2.643 -3.815 12.795 1.00 21.11 H new ATOM 0 HD23 LEU A 78 1.317 -4.428 13.812 1.00 21.11 H new ATOM 1273 N ARG A 79 -0.988 -0.949 11.558 1.00 60.05 N ATOM 1274 CA ARG A 79 -1.706 0.167 10.919 1.00 71.33 C ATOM 1275 C ARG A 79 -1.731 -0.067 9.399 1.00 22.12 C ATOM 1276 O ARG A 79 -0.726 0.154 8.720 1.00 34.20 O ATOM 1277 CB ARG A 79 -1.017 1.523 11.259 1.00 44.45 C ATOM 1278 CG ARG A 79 -0.799 1.754 12.767 1.00 43.31 C ATOM 1279 CD ARG A 79 -0.116 3.096 13.094 1.00 62.24 C ATOM 1280 NE ARG A 79 0.215 3.180 14.524 1.00 34.25 N ATOM 1281 CZ ARG A 79 0.906 4.165 15.120 1.00 64.20 C ATOM 1282 NH1 ARG A 79 1.353 5.220 14.439 1.00 31.45 N ATOM 1283 NH2 ARG A 79 1.183 4.054 16.408 1.00 63.14 N ATOM 0 H ARG A 79 -0.061 -0.697 11.900 1.00 60.05 H new ATOM 0 HA ARG A 79 -2.728 0.212 11.295 1.00 71.33 H new ATOM 0 HB2 ARG A 79 -0.053 1.566 10.752 1.00 44.45 H new ATOM 0 HB3 ARG A 79 -1.623 2.337 10.861 1.00 44.45 H new ATOM 0 HG2 ARG A 79 -1.762 1.713 13.275 1.00 43.31 H new ATOM 0 HG3 ARG A 79 -0.193 0.941 13.167 1.00 43.31 H new ATOM 0 HD2 ARG A 79 0.792 3.201 12.500 1.00 62.24 H new ATOM 0 HD3 ARG A 79 -0.774 3.920 12.820 1.00 62.24 H new ATOM 0 HE ARG A 79 -0.111 2.419 15.119 1.00 34.25 H new ATOM 0 HH11 ARG A 79 1.173 5.294 13.438 1.00 31.45 H new ATOM 0 HH12 ARG A 79 1.875 5.953 14.919 1.00 31.45 H new ATOM 0 HH21 ARG A 79 0.873 3.233 16.927 1.00 63.14 H new ATOM 0 HH22 ARG A 79 1.707 4.790 16.882 1.00 63.14 H new ATOM 1297 N VAL A 80 -2.870 -0.545 8.881 1.00 54.51 N ATOM 1298 CA VAL A 80 -3.004 -0.887 7.458 1.00 11.23 C ATOM 1299 C VAL A 80 -3.576 0.320 6.701 1.00 4.55 C ATOM 1300 O VAL A 80 -4.698 0.754 6.960 1.00 13.20 O ATOM 1301 CB VAL A 80 -3.924 -2.148 7.228 1.00 31.35 C ATOM 1302 CG1 VAL A 80 -3.982 -2.530 5.724 1.00 11.23 C ATOM 1303 CG2 VAL A 80 -3.459 -3.341 8.094 1.00 70.30 C ATOM 0 H VAL A 80 -3.716 -0.704 9.429 1.00 54.51 H new ATOM 0 HA VAL A 80 -2.013 -1.139 7.080 1.00 11.23 H new ATOM 0 HB VAL A 80 -4.935 -1.887 7.541 1.00 31.35 H new ATOM 0 HG11 VAL A 80 -4.623 -3.402 5.595 1.00 11.23 H new ATOM 0 HG12 VAL A 80 -4.386 -1.695 5.152 1.00 11.23 H new ATOM 0 HG13 VAL A 80 -2.978 -2.762 5.368 1.00 11.23 H new ATOM 0 HG21 VAL A 80 -4.111 -4.196 7.915 1.00 70.30 H new ATOM 0 HG22 VAL A 80 -2.435 -3.604 7.831 1.00 70.30 H new ATOM 0 HG23 VAL A 80 -3.503 -3.065 9.148 1.00 70.30 H new ATOM 1313 N ILE A 81 -2.759 0.865 5.799 1.00 0.13 N ATOM 1314 CA ILE A 81 -3.125 1.943 4.875 1.00 14.45 C ATOM 1315 C ILE A 81 -3.355 1.301 3.490 1.00 24.21 C ATOM 1316 O ILE A 81 -2.701 0.312 3.167 1.00 52.23 O ATOM 1317 CB ILE A 81 -1.978 3.044 4.814 1.00 3.00 C ATOM 1318 CG1 ILE A 81 -1.967 3.965 6.098 1.00 20.40 C ATOM 1319 CG2 ILE A 81 -2.061 3.905 3.528 1.00 13.25 C ATOM 1320 CD1 ILE A 81 -1.502 3.305 7.391 1.00 74.41 C ATOM 0 H ILE A 81 -1.792 0.559 5.687 1.00 0.13 H new ATOM 0 HA ILE A 81 -4.030 2.449 5.211 1.00 14.45 H new ATOM 0 HB ILE A 81 -1.036 2.496 4.788 1.00 3.00 H new ATOM 0 HG12 ILE A 81 -1.324 4.823 5.900 1.00 20.40 H new ATOM 0 HG13 ILE A 81 -2.975 4.351 6.252 1.00 20.40 H new ATOM 0 HG21 ILE A 81 -1.258 4.642 3.531 1.00 13.25 H new ATOM 0 HG22 ILE A 81 -1.960 3.263 2.653 1.00 13.25 H new ATOM 0 HG23 ILE A 81 -3.023 4.416 3.494 1.00 13.25 H new ATOM 0 HD11 ILE A 81 -1.536 4.031 8.203 1.00 74.41 H new ATOM 0 HD12 ILE A 81 -2.156 2.466 7.627 1.00 74.41 H new ATOM 0 HD13 ILE A 81 -0.480 2.945 7.269 1.00 74.41 H new ATOM 1332 N VAL A 82 -4.334 1.814 2.718 1.00 1.12 N ATOM 1333 CA VAL A 82 -4.619 1.361 1.337 1.00 1.13 C ATOM 1334 C VAL A 82 -4.739 2.611 0.424 1.00 52.45 C ATOM 1335 O VAL A 82 -5.652 3.390 0.593 1.00 15.15 O ATOM 1336 CB VAL A 82 -5.949 0.502 1.289 1.00 21.43 C ATOM 1337 CG1 VAL A 82 -6.296 0.066 -0.152 1.00 14.34 C ATOM 1338 CG2 VAL A 82 -5.861 -0.727 2.240 1.00 14.01 C ATOM 0 H VAL A 82 -4.954 2.559 3.035 1.00 1.12 H new ATOM 0 HA VAL A 82 -3.807 0.724 0.985 1.00 1.13 H new ATOM 0 HB VAL A 82 -6.759 1.141 1.641 1.00 21.43 H new ATOM 0 HG11 VAL A 82 -7.214 -0.521 -0.143 1.00 14.34 H new ATOM 0 HG12 VAL A 82 -6.436 0.949 -0.776 1.00 14.34 H new ATOM 0 HG13 VAL A 82 -5.483 -0.538 -0.555 1.00 14.34 H new ATOM 0 HG21 VAL A 82 -6.789 -1.297 2.185 1.00 14.01 H new ATOM 0 HG22 VAL A 82 -5.027 -1.361 1.939 1.00 14.01 H new ATOM 0 HG23 VAL A 82 -5.706 -0.385 3.263 1.00 14.01 H new ATOM 1348 N ILE A 83 -3.801 2.801 -0.520 1.00 14.41 N ATOM 1349 CA ILE A 83 -3.789 3.954 -1.453 1.00 5.24 C ATOM 1350 C ILE A 83 -4.163 3.474 -2.867 1.00 63.44 C ATOM 1351 O ILE A 83 -3.374 2.792 -3.519 1.00 23.40 O ATOM 1352 CB ILE A 83 -2.364 4.627 -1.483 1.00 51.43 C ATOM 1353 CG1 ILE A 83 -1.907 4.987 -0.036 1.00 2.02 C ATOM 1354 CG2 ILE A 83 -2.343 5.879 -2.407 1.00 62.23 C ATOM 1355 CD1 ILE A 83 -0.478 5.453 0.076 1.00 31.03 C ATOM 0 H ILE A 83 -3.022 2.158 -0.662 1.00 14.41 H new ATOM 0 HA ILE A 83 -4.515 4.691 -1.110 1.00 5.24 H new ATOM 0 HB ILE A 83 -1.658 3.909 -1.900 1.00 51.43 H new ATOM 0 HG12 ILE A 83 -2.561 5.767 0.353 1.00 2.02 H new ATOM 0 HG13 ILE A 83 -2.041 4.112 0.601 1.00 2.02 H new ATOM 0 HG21 ILE A 83 -1.345 6.317 -2.403 1.00 62.23 H new ATOM 0 HG22 ILE A 83 -2.607 5.586 -3.423 1.00 62.23 H new ATOM 0 HG23 ILE A 83 -3.063 6.612 -2.043 1.00 62.23 H new ATOM 0 HD11 ILE A 83 -0.250 5.680 1.117 1.00 31.03 H new ATOM 0 HD12 ILE A 83 0.190 4.668 -0.279 1.00 31.03 H new ATOM 0 HD13 ILE A 83 -0.339 6.348 -0.530 1.00 31.03 H new ATOM 1367 N ILE A 84 -5.367 3.826 -3.321 1.00 21.40 N ATOM 1368 CA ILE A 84 -5.880 3.438 -4.646 1.00 72.10 C ATOM 1369 C ILE A 84 -5.594 4.561 -5.655 1.00 14.42 C ATOM 1370 O ILE A 84 -6.110 5.668 -5.503 1.00 1.13 O ATOM 1371 CB ILE A 84 -7.422 3.160 -4.576 1.00 64.12 C ATOM 1372 CG1 ILE A 84 -7.723 2.121 -3.453 1.00 13.41 C ATOM 1373 CG2 ILE A 84 -7.975 2.683 -5.950 1.00 61.21 C ATOM 1374 CD1 ILE A 84 -9.182 1.957 -3.141 1.00 14.32 C ATOM 0 H ILE A 84 -6.021 4.392 -2.780 1.00 21.40 H new ATOM 0 HA ILE A 84 -5.379 2.525 -4.967 1.00 72.10 H new ATOM 0 HB ILE A 84 -7.931 4.092 -4.333 1.00 64.12 H new ATOM 0 HG12 ILE A 84 -7.315 1.154 -3.749 1.00 13.41 H new ATOM 0 HG13 ILE A 84 -7.201 2.423 -2.545 1.00 13.41 H new ATOM 0 HG21 ILE A 84 -9.046 2.499 -5.867 1.00 61.21 H new ATOM 0 HG22 ILE A 84 -7.796 3.452 -6.701 1.00 61.21 H new ATOM 0 HG23 ILE A 84 -7.471 1.763 -6.246 1.00 61.21 H new ATOM 0 HD11 ILE A 84 -9.304 1.217 -2.350 1.00 14.32 H new ATOM 0 HD12 ILE A 84 -9.593 2.911 -2.812 1.00 14.32 H new ATOM 0 HD13 ILE A 84 -9.710 1.623 -4.034 1.00 14.32 H new ATOM 1386 N VAL A 85 -4.747 4.268 -6.648 1.00 12.40 N ATOM 1387 CA VAL A 85 -4.384 5.184 -7.729 1.00 14.12 C ATOM 1388 C VAL A 85 -5.239 4.845 -8.956 1.00 3.55 C ATOM 1389 O VAL A 85 -4.967 3.862 -9.655 1.00 61.02 O ATOM 1390 CB VAL A 85 -2.849 5.056 -8.079 1.00 73.33 C ATOM 1391 CG1 VAL A 85 -2.390 6.181 -9.040 1.00 34.43 C ATOM 1392 CG2 VAL A 85 -1.988 5.001 -6.791 1.00 35.33 C ATOM 0 H VAL A 85 -4.284 3.362 -6.722 1.00 12.40 H new ATOM 0 HA VAL A 85 -4.568 6.212 -7.416 1.00 14.12 H new ATOM 0 HB VAL A 85 -2.702 4.114 -8.607 1.00 73.33 H new ATOM 0 HG11 VAL A 85 -1.329 6.062 -9.259 1.00 34.43 H new ATOM 0 HG12 VAL A 85 -2.961 6.123 -9.967 1.00 34.43 H new ATOM 0 HG13 VAL A 85 -2.557 7.151 -8.571 1.00 34.43 H new ATOM 0 HG21 VAL A 85 -0.936 4.913 -7.060 1.00 35.33 H new ATOM 0 HG22 VAL A 85 -2.140 5.913 -6.213 1.00 35.33 H new ATOM 0 HG23 VAL A 85 -2.283 4.139 -6.193 1.00 35.33 H new ATOM 1402 N SER A 86 -6.293 5.636 -9.170 1.00 1.43 N ATOM 1403 CA SER A 86 -7.210 5.506 -10.307 1.00 24.55 C ATOM 1404 C SER A 86 -7.773 6.895 -10.661 1.00 32.22 C ATOM 1405 O SER A 86 -8.168 7.653 -9.774 1.00 74.32 O ATOM 1406 CB SER A 86 -8.381 4.529 -9.982 1.00 52.34 C ATOM 1407 OG SER A 86 -7.932 3.203 -9.712 1.00 34.31 O ATOM 0 H SER A 86 -6.539 6.403 -8.544 1.00 1.43 H new ATOM 0 HA SER A 86 -6.658 5.097 -11.154 1.00 24.55 H new ATOM 0 HB2 SER A 86 -8.933 4.904 -9.120 1.00 52.34 H new ATOM 0 HB3 SER A 86 -9.076 4.509 -10.822 1.00 52.34 H new ATOM 0 HG SER A 86 -8.702 2.631 -9.513 1.00 34.31 H new ATOM 1413 N GLN A 87 -7.804 7.216 -11.961 1.00 62.12 N ATOM 1414 CA GLN A 87 -8.422 8.459 -12.476 1.00 71.44 C ATOM 1415 C GLN A 87 -9.964 8.313 -12.515 1.00 53.33 C ATOM 1416 O GLN A 87 -10.685 9.299 -12.641 1.00 32.34 O ATOM 1417 CB GLN A 87 -7.853 8.789 -13.890 1.00 2.45 C ATOM 1418 CG GLN A 87 -8.195 10.199 -14.414 1.00 14.30 C ATOM 1419 CD GLN A 87 -7.579 10.505 -15.786 1.00 60.32 C ATOM 1420 OE1 GLN A 87 -8.190 10.256 -16.823 1.00 33.10 O ATOM 1421 NE2 GLN A 87 -6.355 11.020 -15.797 1.00 75.04 N ATOM 0 H GLN A 87 -7.403 6.626 -12.690 1.00 62.12 H new ATOM 0 HA GLN A 87 -8.178 9.285 -11.808 1.00 71.44 H new ATOM 0 HB2 GLN A 87 -6.769 8.680 -13.864 1.00 2.45 H new ATOM 0 HB3 GLN A 87 -8.231 8.052 -14.599 1.00 2.45 H new ATOM 0 HG2 GLN A 87 -9.278 10.301 -14.479 1.00 14.30 H new ATOM 0 HG3 GLN A 87 -7.847 10.940 -13.694 1.00 14.30 H new ATOM 0 HE21 GLN A 87 -5.876 11.215 -14.918 1.00 75.04 H new ATOM 0 HE22 GLN A 87 -5.894 11.221 -16.685 1.00 75.04 H new ATOM 1430 N ASP A 88 -10.443 7.059 -12.414 1.00 70.54 N ATOM 1431 CA ASP A 88 -11.876 6.732 -12.369 1.00 64.14 C ATOM 1432 C ASP A 88 -12.358 6.759 -10.907 1.00 11.22 C ATOM 1433 O ASP A 88 -11.847 5.997 -10.076 1.00 53.43 O ATOM 1434 CB ASP A 88 -12.104 5.338 -12.999 1.00 62.41 C ATOM 1435 CG ASP A 88 -13.586 4.936 -13.089 1.00 73.13 C ATOM 1436 OD1 ASP A 88 -14.249 5.268 -14.091 1.00 22.22 O ATOM 1437 OD2 ASP A 88 -14.100 4.295 -12.163 1.00 61.24 O ATOM 0 H ASP A 88 -9.839 6.239 -12.361 1.00 70.54 H new ATOM 0 HA ASP A 88 -12.447 7.466 -12.937 1.00 64.14 H new ATOM 0 HB2 ASP A 88 -11.672 5.326 -14.000 1.00 62.41 H new ATOM 0 HB3 ASP A 88 -11.569 4.592 -12.412 1.00 62.41 H new ATOM 1442 N GLU A 89 -13.365 7.615 -10.620 1.00 63.13 N ATOM 1443 CA GLU A 89 -13.861 7.862 -9.247 1.00 11.44 C ATOM 1444 C GLU A 89 -14.605 6.646 -8.658 1.00 24.50 C ATOM 1445 O GLU A 89 -14.680 6.517 -7.438 1.00 54.51 O ATOM 1446 CB GLU A 89 -14.775 9.122 -9.170 1.00 24.32 C ATOM 1447 CG GLU A 89 -14.142 10.457 -9.656 1.00 23.33 C ATOM 1448 CD GLU A 89 -14.291 10.687 -11.172 1.00 54.13 C ATOM 1449 OE1 GLU A 89 -15.338 11.217 -11.598 1.00 4.10 O ATOM 1450 OE2 GLU A 89 -13.391 10.317 -11.947 1.00 34.40 O ATOM 0 H GLU A 89 -13.856 8.154 -11.333 1.00 63.13 H new ATOM 0 HA GLU A 89 -12.970 8.040 -8.645 1.00 11.44 H new ATOM 0 HB2 GLU A 89 -15.671 8.932 -9.761 1.00 24.32 H new ATOM 0 HB3 GLU A 89 -15.096 9.251 -8.136 1.00 24.32 H new ATOM 0 HG2 GLU A 89 -14.606 11.286 -9.123 1.00 23.33 H new ATOM 0 HG3 GLU A 89 -13.083 10.464 -9.397 1.00 23.33 H new ATOM 1457 N GLU A 90 -15.162 5.783 -9.530 1.00 24.43 N ATOM 1458 CA GLU A 90 -15.838 4.535 -9.098 1.00 51.12 C ATOM 1459 C GLU A 90 -14.812 3.492 -8.635 1.00 24.32 C ATOM 1460 O GLU A 90 -15.024 2.821 -7.631 1.00 63.22 O ATOM 1461 CB GLU A 90 -16.752 3.970 -10.229 1.00 50.15 C ATOM 1462 CG GLU A 90 -18.117 4.681 -10.370 1.00 24.21 C ATOM 1463 CD GLU A 90 -19.113 4.349 -9.233 1.00 21.11 C ATOM 1464 OE1 GLU A 90 -18.960 4.877 -8.112 1.00 33.21 O ATOM 1465 OE2 GLU A 90 -20.066 3.563 -9.465 1.00 72.12 O ATOM 0 H GLU A 90 -15.159 5.924 -10.540 1.00 24.43 H new ATOM 0 HA GLU A 90 -16.478 4.774 -8.249 1.00 51.12 H new ATOM 0 HB2 GLU A 90 -16.220 4.042 -11.178 1.00 50.15 H new ATOM 0 HB3 GLU A 90 -16.927 2.911 -10.041 1.00 50.15 H new ATOM 0 HG2 GLU A 90 -17.954 5.758 -10.395 1.00 24.21 H new ATOM 0 HG3 GLU A 90 -18.564 4.404 -11.325 1.00 24.21 H new ATOM 1472 N ALA A 91 -13.688 3.385 -9.361 1.00 43.20 N ATOM 1473 CA ALA A 91 -12.576 2.479 -8.997 1.00 52.23 C ATOM 1474 C ALA A 91 -11.936 2.907 -7.668 1.00 62.54 C ATOM 1475 O ALA A 91 -11.472 2.063 -6.883 1.00 21.11 O ATOM 1476 CB ALA A 91 -11.533 2.444 -10.118 1.00 23.42 C ATOM 0 H ALA A 91 -13.520 3.919 -10.214 1.00 43.20 H new ATOM 0 HA ALA A 91 -12.977 1.474 -8.867 1.00 52.23 H new ATOM 0 HB1 ALA A 91 -10.720 1.774 -9.838 1.00 23.42 H new ATOM 0 HB2 ALA A 91 -11.998 2.086 -11.037 1.00 23.42 H new ATOM 0 HB3 ALA A 91 -11.137 3.447 -10.278 1.00 23.42 H new ATOM 1482 N LEU A 92 -11.923 4.235 -7.442 1.00 52.44 N ATOM 1483 CA LEU A 92 -11.508 4.832 -6.174 1.00 12.32 C ATOM 1484 C LEU A 92 -12.495 4.452 -5.055 1.00 1.42 C ATOM 1485 O LEU A 92 -12.091 3.876 -4.051 1.00 12.05 O ATOM 1486 CB LEU A 92 -11.414 6.384 -6.311 1.00 54.25 C ATOM 1487 CG LEU A 92 -10.290 6.927 -7.251 1.00 35.21 C ATOM 1488 CD1 LEU A 92 -10.345 8.473 -7.378 1.00 60.54 C ATOM 1489 CD2 LEU A 92 -8.903 6.450 -6.775 1.00 4.23 C ATOM 0 H LEU A 92 -12.203 4.921 -8.143 1.00 52.44 H new ATOM 0 HA LEU A 92 -10.523 4.446 -5.914 1.00 12.32 H new ATOM 0 HB2 LEU A 92 -12.373 6.755 -6.674 1.00 54.25 H new ATOM 0 HB3 LEU A 92 -11.264 6.807 -5.318 1.00 54.25 H new ATOM 0 HG LEU A 92 -10.464 6.519 -8.247 1.00 35.21 H new ATOM 0 HD11 LEU A 92 -9.548 8.812 -8.040 1.00 60.54 H new ATOM 0 HD12 LEU A 92 -11.309 8.770 -7.790 1.00 60.54 H new ATOM 0 HD13 LEU A 92 -10.216 8.924 -6.394 1.00 60.54 H new ATOM 0 HD21 LEU A 92 -8.135 6.839 -7.443 1.00 4.23 H new ATOM 0 HD22 LEU A 92 -8.721 6.812 -5.763 1.00 4.23 H new ATOM 0 HD23 LEU A 92 -8.871 5.360 -6.781 1.00 4.23 H new ATOM 1501 N ARG A 93 -13.794 4.725 -5.291 1.00 30.13 N ATOM 1502 CA ARG A 93 -14.848 4.693 -4.248 1.00 53.03 C ATOM 1503 C ARG A 93 -15.180 3.263 -3.772 1.00 75.11 C ATOM 1504 O ARG A 93 -15.359 3.035 -2.564 1.00 60.14 O ATOM 1505 CB ARG A 93 -16.137 5.393 -4.771 1.00 0.44 C ATOM 1506 CG ARG A 93 -17.285 5.491 -3.736 1.00 61.15 C ATOM 1507 CD ARG A 93 -18.564 6.143 -4.298 1.00 22.53 C ATOM 1508 NE ARG A 93 -19.706 6.027 -3.363 1.00 30.20 N ATOM 1509 CZ ARG A 93 -20.955 6.478 -3.599 1.00 4.21 C ATOM 1510 NH1 ARG A 93 -21.256 7.090 -4.740 1.00 14.50 N ATOM 1511 NH2 ARG A 93 -21.903 6.296 -2.691 1.00 34.40 N ATOM 0 H ARG A 93 -14.147 4.976 -6.215 1.00 30.13 H new ATOM 0 HA ARG A 93 -14.456 5.231 -3.385 1.00 53.03 H new ATOM 0 HB2 ARG A 93 -15.879 6.398 -5.103 1.00 0.44 H new ATOM 0 HB3 ARG A 93 -16.499 4.852 -5.645 1.00 0.44 H new ATOM 0 HG2 ARG A 93 -17.525 4.491 -3.375 1.00 61.15 H new ATOM 0 HG3 ARG A 93 -16.941 6.066 -2.876 1.00 61.15 H new ATOM 0 HD2 ARG A 93 -18.372 7.196 -4.506 1.00 22.53 H new ATOM 0 HD3 ARG A 93 -18.823 5.673 -5.246 1.00 22.53 H new ATOM 0 HE ARG A 93 -19.534 5.569 -2.468 1.00 30.20 H new ATOM 0 HH11 ARG A 93 -20.538 7.224 -5.452 1.00 14.50 H new ATOM 0 HH12 ARG A 93 -22.205 7.426 -4.904 1.00 14.50 H new ATOM 0 HH21 ARG A 93 -21.687 5.816 -1.817 1.00 34.40 H new ATOM 0 HH22 ARG A 93 -22.849 6.636 -2.866 1.00 34.40 H new ATOM 1525 N LYS A 94 -15.262 2.310 -4.723 1.00 11.52 N ATOM 1526 CA LYS A 94 -15.642 0.909 -4.428 1.00 12.14 C ATOM 1527 C LYS A 94 -14.564 0.232 -3.573 1.00 63.14 C ATOM 1528 O LYS A 94 -14.872 -0.416 -2.566 1.00 41.52 O ATOM 1529 CB LYS A 94 -15.876 0.111 -5.740 1.00 33.44 C ATOM 1530 CG LYS A 94 -17.017 0.668 -6.624 1.00 63.12 C ATOM 1531 CD LYS A 94 -17.166 -0.095 -7.965 1.00 14.54 C ATOM 1532 CE LYS A 94 -18.070 0.641 -8.968 1.00 30.40 C ATOM 1533 NZ LYS A 94 -19.455 0.839 -8.469 1.00 54.04 N ATOM 0 H LYS A 94 -15.069 2.485 -5.709 1.00 11.52 H new ATOM 0 HA LYS A 94 -16.576 0.920 -3.866 1.00 12.14 H new ATOM 0 HB2 LYS A 94 -14.952 0.106 -6.319 1.00 33.44 H new ATOM 0 HB3 LYS A 94 -16.100 -0.925 -5.487 1.00 33.44 H new ATOM 0 HG2 LYS A 94 -17.956 0.613 -6.074 1.00 63.12 H new ATOM 0 HG3 LYS A 94 -16.829 1.722 -6.830 1.00 63.12 H new ATOM 0 HD2 LYS A 94 -16.181 -0.239 -8.408 1.00 14.54 H new ATOM 0 HD3 LYS A 94 -17.576 -1.086 -7.771 1.00 14.54 H new ATOM 0 HE2 LYS A 94 -17.631 1.612 -9.199 1.00 30.40 H new ATOM 0 HE3 LYS A 94 -18.103 0.077 -9.900 1.00 30.40 H new ATOM 0 HZ1 LYS A 94 -20.112 0.259 -9.029 1.00 54.04 H new ATOM 0 HZ2 LYS A 94 -19.508 0.555 -7.470 1.00 54.04 H new ATOM 0 HZ3 LYS A 94 -19.716 1.842 -8.558 1.00 54.04 H new ATOM 1547 N GLY A 95 -13.299 0.417 -3.980 1.00 31.24 N ATOM 1548 CA GLY A 95 -12.161 -0.065 -3.209 1.00 35.45 C ATOM 1549 C GLY A 95 -12.031 0.647 -1.869 1.00 64.10 C ATOM 1550 O GLY A 95 -11.697 0.024 -0.858 1.00 12.44 O ATOM 0 H GLY A 95 -13.046 0.899 -4.842 1.00 31.24 H new ATOM 0 HA2 GLY A 95 -12.266 -1.137 -3.040 1.00 35.45 H new ATOM 0 HA3 GLY A 95 -11.247 0.079 -3.785 1.00 35.45 H new ATOM 1554 N TYR A 96 -12.307 1.973 -1.888 1.00 50.30 N ATOM 1555 CA TYR A 96 -12.200 2.850 -0.711 1.00 73.30 C ATOM 1556 C TYR A 96 -13.058 2.321 0.429 1.00 23.43 C ATOM 1557 O TYR A 96 -12.537 1.983 1.490 1.00 34.51 O ATOM 1558 CB TYR A 96 -12.600 4.309 -1.079 1.00 51.20 C ATOM 1559 CG TYR A 96 -12.729 5.300 0.092 1.00 74.01 C ATOM 1560 CD1 TYR A 96 -11.603 5.785 0.768 1.00 64.13 C ATOM 1561 CD2 TYR A 96 -13.983 5.768 0.515 1.00 35.10 C ATOM 1562 CE1 TYR A 96 -11.726 6.688 1.807 1.00 74.15 C ATOM 1563 CE2 TYR A 96 -14.102 6.671 1.556 1.00 72.41 C ATOM 1564 CZ TYR A 96 -12.975 7.126 2.196 1.00 44.42 C ATOM 1565 OH TYR A 96 -13.092 8.015 3.239 1.00 53.42 O ATOM 0 H TYR A 96 -12.612 2.462 -2.730 1.00 50.30 H new ATOM 0 HA TYR A 96 -11.162 2.858 -0.378 1.00 73.30 H new ATOM 0 HB2 TYR A 96 -11.860 4.700 -1.777 1.00 51.20 H new ATOM 0 HB3 TYR A 96 -13.553 4.279 -1.608 1.00 51.20 H new ATOM 0 HD1 TYR A 96 -10.621 5.447 0.472 1.00 64.13 H new ATOM 0 HD2 TYR A 96 -14.874 5.415 0.017 1.00 35.10 H new ATOM 0 HE1 TYR A 96 -10.844 7.051 2.314 1.00 74.15 H new ATOM 0 HE2 TYR A 96 -15.077 7.017 1.864 1.00 72.41 H new ATOM 0 HH TYR A 96 -14.038 8.224 3.386 1.00 53.42 H new ATOM 1575 N GLU A 97 -14.362 2.172 0.151 1.00 3.14 N ATOM 1576 CA GLU A 97 -15.351 1.744 1.146 1.00 20.23 C ATOM 1577 C GLU A 97 -15.148 0.271 1.550 1.00 11.32 C ATOM 1578 O GLU A 97 -15.305 -0.069 2.730 1.00 40.52 O ATOM 1579 CB GLU A 97 -16.787 1.971 0.609 1.00 54.30 C ATOM 1580 CG GLU A 97 -17.128 3.449 0.316 1.00 64.43 C ATOM 1581 CD GLU A 97 -18.580 3.642 -0.142 1.00 52.20 C ATOM 1582 OE1 GLU A 97 -19.492 3.574 0.707 1.00 3.42 O ATOM 1583 OE2 GLU A 97 -18.825 3.859 -1.343 1.00 2.43 O ATOM 0 H GLU A 97 -14.759 2.346 -0.772 1.00 3.14 H new ATOM 0 HA GLU A 97 -15.210 2.351 2.040 1.00 20.23 H new ATOM 0 HB2 GLU A 97 -16.917 1.392 -0.305 1.00 54.30 H new ATOM 0 HB3 GLU A 97 -17.500 1.583 1.336 1.00 54.30 H new ATOM 0 HG2 GLU A 97 -16.952 4.043 1.213 1.00 64.43 H new ATOM 0 HG3 GLU A 97 -16.455 3.827 -0.454 1.00 64.43 H new ATOM 1590 N ASP A 98 -14.765 -0.578 0.571 1.00 33.53 N ATOM 1591 CA ASP A 98 -14.575 -2.030 0.786 1.00 51.41 C ATOM 1592 C ASP A 98 -13.462 -2.300 1.816 1.00 72.55 C ATOM 1593 O ASP A 98 -13.666 -3.065 2.748 1.00 54.15 O ATOM 1594 CB ASP A 98 -14.260 -2.753 -0.554 1.00 71.34 C ATOM 1595 CG ASP A 98 -14.036 -4.273 -0.394 1.00 35.54 C ATOM 1596 OD1 ASP A 98 -15.013 -4.998 -0.108 1.00 35.23 O ATOM 1597 OD2 ASP A 98 -12.889 -4.744 -0.540 1.00 43.54 O ATOM 0 H ASP A 98 -14.580 -0.278 -0.386 1.00 33.53 H new ATOM 0 HA ASP A 98 -15.509 -2.429 1.182 1.00 51.41 H new ATOM 0 HB2 ASP A 98 -15.082 -2.586 -1.250 1.00 71.34 H new ATOM 0 HB3 ASP A 98 -13.370 -2.307 -0.998 1.00 71.34 H new ATOM 1602 N LYS A 99 -12.303 -1.654 1.645 1.00 43.55 N ATOM 1603 CA LYS A 99 -11.153 -1.807 2.559 1.00 1.01 C ATOM 1604 C LYS A 99 -11.351 -0.983 3.866 1.00 62.21 C ATOM 1605 O LYS A 99 -10.901 -1.403 4.938 1.00 14.00 O ATOM 1606 CB LYS A 99 -9.815 -1.451 1.818 1.00 52.02 C ATOM 1607 CG LYS A 99 -9.042 -2.672 1.232 1.00 22.11 C ATOM 1608 CD LYS A 99 -9.824 -3.471 0.160 1.00 30.21 C ATOM 1609 CE LYS A 99 -10.053 -2.673 -1.133 1.00 73.15 C ATOM 1610 NZ LYS A 99 -10.819 -3.454 -2.140 1.00 11.12 N ATOM 0 H LYS A 99 -12.131 -1.011 0.873 1.00 43.55 H new ATOM 0 HA LYS A 99 -11.088 -2.851 2.865 1.00 1.01 H new ATOM 0 HB2 LYS A 99 -10.040 -0.759 1.007 1.00 52.02 H new ATOM 0 HB3 LYS A 99 -9.161 -0.925 2.513 1.00 52.02 H new ATOM 0 HG2 LYS A 99 -8.108 -2.319 0.795 1.00 22.11 H new ATOM 0 HG3 LYS A 99 -8.778 -3.345 2.048 1.00 22.11 H new ATOM 0 HD2 LYS A 99 -9.278 -4.385 -0.075 1.00 30.21 H new ATOM 0 HD3 LYS A 99 -10.788 -3.772 0.570 1.00 30.21 H new ATOM 0 HE2 LYS A 99 -10.591 -1.754 -0.901 1.00 73.15 H new ATOM 0 HE3 LYS A 99 -9.091 -2.382 -1.555 1.00 73.15 H new ATOM 0 HZ1 LYS A 99 -11.054 -2.843 -2.948 1.00 11.12 H new ATOM 0 HZ2 LYS A 99 -10.244 -4.256 -2.469 1.00 11.12 H new ATOM 0 HZ3 LYS A 99 -11.696 -3.811 -1.709 1.00 11.12 H new ATOM 1624 N LYS A 100 -12.055 0.164 3.775 1.00 13.34 N ATOM 1625 CA LYS A 100 -12.278 1.081 4.928 1.00 44.20 C ATOM 1626 C LYS A 100 -13.129 0.419 6.028 1.00 73.34 C ATOM 1627 O LYS A 100 -12.836 0.558 7.224 1.00 61.51 O ATOM 1628 CB LYS A 100 -12.934 2.400 4.437 1.00 75.23 C ATOM 1629 CG LYS A 100 -13.305 3.421 5.536 1.00 60.45 C ATOM 1630 CD LYS A 100 -13.819 4.758 4.942 1.00 51.23 C ATOM 1631 CE LYS A 100 -14.420 5.685 6.007 1.00 13.00 C ATOM 1632 NZ LYS A 100 -15.680 5.132 6.576 1.00 22.41 N ATOM 0 H LYS A 100 -12.486 0.486 2.908 1.00 13.34 H new ATOM 0 HA LYS A 100 -11.308 1.311 5.370 1.00 44.20 H new ATOM 0 HB2 LYS A 100 -12.253 2.882 3.736 1.00 75.23 H new ATOM 0 HB3 LYS A 100 -13.838 2.149 3.882 1.00 75.23 H new ATOM 0 HG2 LYS A 100 -14.071 2.994 6.183 1.00 60.45 H new ATOM 0 HG3 LYS A 100 -12.432 3.614 6.160 1.00 60.45 H new ATOM 0 HD2 LYS A 100 -12.996 5.270 4.443 1.00 51.23 H new ATOM 0 HD3 LYS A 100 -14.572 4.548 4.182 1.00 51.23 H new ATOM 0 HE2 LYS A 100 -13.696 5.836 6.807 1.00 13.00 H new ATOM 0 HE3 LYS A 100 -14.618 6.663 5.568 1.00 13.00 H new ATOM 0 HZ1 LYS A 100 -16.160 5.866 7.134 1.00 22.41 H new ATOM 0 HZ2 LYS A 100 -16.303 4.822 5.803 1.00 22.41 H new ATOM 0 HZ3 LYS A 100 -15.458 4.321 7.188 1.00 22.41 H new ATOM 1646 N LYS A 101 -14.160 -0.336 5.605 1.00 33.24 N ATOM 1647 CA LYS A 101 -15.087 -1.043 6.527 1.00 54.30 C ATOM 1648 C LYS A 101 -14.395 -2.228 7.231 1.00 35.11 C ATOM 1649 O LYS A 101 -14.886 -2.723 8.249 1.00 44.12 O ATOM 1650 CB LYS A 101 -16.339 -1.548 5.764 1.00 41.51 C ATOM 1651 CG LYS A 101 -16.049 -2.609 4.678 1.00 21.12 C ATOM 1652 CD LYS A 101 -17.317 -3.097 3.941 1.00 62.51 C ATOM 1653 CE LYS A 101 -18.291 -3.853 4.859 1.00 71.13 C ATOM 1654 NZ LYS A 101 -19.492 -4.324 4.121 1.00 70.12 N ATOM 0 H LYS A 101 -14.379 -0.477 4.619 1.00 33.24 H new ATOM 0 HA LYS A 101 -15.394 -0.326 7.288 1.00 54.30 H new ATOM 0 HB2 LYS A 101 -17.042 -1.967 6.484 1.00 41.51 H new ATOM 0 HB3 LYS A 101 -16.832 -0.695 5.297 1.00 41.51 H new ATOM 0 HG2 LYS A 101 -15.353 -2.192 3.950 1.00 21.12 H new ATOM 0 HG3 LYS A 101 -15.554 -3.464 5.139 1.00 21.12 H new ATOM 0 HD2 LYS A 101 -17.829 -2.240 3.504 1.00 62.51 H new ATOM 0 HD3 LYS A 101 -17.024 -3.747 3.117 1.00 62.51 H new ATOM 0 HE2 LYS A 101 -17.781 -4.706 5.306 1.00 71.13 H new ATOM 0 HE3 LYS A 101 -18.599 -3.202 5.677 1.00 71.13 H new ATOM 0 HZ1 LYS A 101 -20.125 -4.829 4.774 1.00 70.12 H new ATOM 0 HZ2 LYS A 101 -19.993 -3.508 3.716 1.00 70.12 H new ATOM 0 HZ3 LYS A 101 -19.200 -4.965 3.356 1.00 70.12 H new ATOM 1668 N LYS A 102 -13.263 -2.682 6.662 1.00 63.04 N ATOM 1669 CA LYS A 102 -12.444 -3.771 7.229 1.00 75.11 C ATOM 1670 C LYS A 102 -11.444 -3.230 8.286 1.00 13.21 C ATOM 1671 O LYS A 102 -10.655 -4.006 8.851 1.00 72.31 O ATOM 1672 CB LYS A 102 -11.672 -4.486 6.092 1.00 54.51 C ATOM 1673 CG LYS A 102 -12.537 -5.013 4.928 1.00 60.33 C ATOM 1674 CD LYS A 102 -11.681 -5.684 3.817 1.00 62.23 C ATOM 1675 CE LYS A 102 -12.481 -6.042 2.554 1.00 52.25 C ATOM 1676 NZ LYS A 102 -13.640 -6.923 2.831 1.00 73.40 N ATOM 0 H LYS A 102 -12.889 -2.303 5.792 1.00 63.04 H new ATOM 0 HA LYS A 102 -13.109 -4.478 7.724 1.00 75.11 H new ATOM 0 HB2 LYS A 102 -10.933 -3.794 5.688 1.00 54.51 H new ATOM 0 HB3 LYS A 102 -11.123 -5.324 6.521 1.00 54.51 H new ATOM 0 HG2 LYS A 102 -13.260 -5.733 5.312 1.00 60.33 H new ATOM 0 HG3 LYS A 102 -13.106 -4.189 4.498 1.00 60.33 H new ATOM 0 HD2 LYS A 102 -10.867 -5.013 3.543 1.00 62.23 H new ATOM 0 HD3 LYS A 102 -11.227 -6.590 4.218 1.00 62.23 H new ATOM 0 HE2 LYS A 102 -12.834 -5.125 2.082 1.00 52.25 H new ATOM 0 HE3 LYS A 102 -11.821 -6.534 1.840 1.00 52.25 H new ATOM 0 HZ1 LYS A 102 -14.139 -7.129 1.942 1.00 73.40 H new ATOM 0 HZ2 LYS A 102 -13.307 -7.812 3.255 1.00 73.40 H new ATOM 0 HZ3 LYS A 102 -14.288 -6.447 3.490 1.00 73.40 H new ATOM 1690 N GLY A 103 -11.475 -1.894 8.521 1.00 43.24 N ATOM 1691 CA GLY A 103 -10.653 -1.246 9.549 1.00 54.22 C ATOM 1692 C GLY A 103 -9.386 -0.598 9.007 1.00 11.22 C ATOM 1693 O GLY A 103 -8.527 -0.189 9.789 1.00 1.54 O ATOM 0 H GLY A 103 -12.070 -1.248 8.002 1.00 43.24 H new ATOM 0 HA2 GLY A 103 -11.251 -0.487 10.053 1.00 54.22 H new ATOM 0 HA3 GLY A 103 -10.378 -1.986 10.301 1.00 54.22 H new ATOM 1697 N TYR A 104 -9.264 -0.485 7.667 1.00 1.40 N ATOM 1698 CA TYR A 104 -8.035 0.043 7.020 1.00 34.22 C ATOM 1699 C TYR A 104 -8.230 1.533 6.676 1.00 41.43 C ATOM 1700 O TYR A 104 -9.335 1.940 6.300 1.00 74.02 O ATOM 1701 CB TYR A 104 -7.697 -0.768 5.733 1.00 55.23 C ATOM 1702 CG TYR A 104 -7.835 -2.305 5.855 1.00 12.53 C ATOM 1703 CD1 TYR A 104 -7.557 -3.000 7.042 1.00 20.41 C ATOM 1704 CD2 TYR A 104 -8.284 -3.058 4.775 1.00 3.23 C ATOM 1705 CE1 TYR A 104 -7.719 -4.371 7.121 1.00 21.25 C ATOM 1706 CE2 TYR A 104 -8.451 -4.418 4.859 1.00 63.03 C ATOM 1707 CZ TYR A 104 -8.170 -5.068 6.033 1.00 71.34 C ATOM 1708 OH TYR A 104 -8.346 -6.423 6.110 1.00 74.20 O ATOM 0 H TYR A 104 -9.998 -0.751 7.010 1.00 1.40 H new ATOM 0 HA TYR A 104 -7.201 -0.060 7.714 1.00 34.22 H new ATOM 0 HB2 TYR A 104 -8.348 -0.426 4.928 1.00 55.23 H new ATOM 0 HB3 TYR A 104 -6.674 -0.535 5.437 1.00 55.23 H new ATOM 0 HD1 TYR A 104 -7.211 -2.455 7.908 1.00 20.41 H new ATOM 0 HD2 TYR A 104 -8.508 -2.558 3.844 1.00 3.23 H new ATOM 0 HE1 TYR A 104 -7.490 -4.891 8.040 1.00 21.25 H new ATOM 0 HE2 TYR A 104 -8.803 -4.974 4.003 1.00 63.03 H new ATOM 0 HH TYR A 104 -8.672 -6.760 5.250 1.00 74.20 H new ATOM 1718 N ASP A 105 -7.158 2.334 6.805 1.00 21.31 N ATOM 1719 CA ASP A 105 -7.187 3.776 6.505 1.00 64.40 C ATOM 1720 C ASP A 105 -6.889 3.955 5.001 1.00 24.04 C ATOM 1721 O ASP A 105 -5.732 3.854 4.583 1.00 13.43 O ATOM 1722 CB ASP A 105 -6.135 4.523 7.386 1.00 24.24 C ATOM 1723 CG ASP A 105 -6.440 6.021 7.559 1.00 40.41 C ATOM 1724 OD1 ASP A 105 -6.267 6.789 6.599 1.00 74.42 O ATOM 1725 OD2 ASP A 105 -6.871 6.435 8.663 1.00 74.33 O ATOM 0 H ASP A 105 -6.247 2.000 7.120 1.00 21.31 H new ATOM 0 HA ASP A 105 -8.165 4.201 6.733 1.00 64.40 H new ATOM 0 HB2 ASP A 105 -6.094 4.052 8.368 1.00 24.24 H new ATOM 0 HB3 ASP A 105 -5.149 4.410 6.936 1.00 24.24 H new ATOM 1730 N VAL A 106 -7.939 4.193 4.189 1.00 24.34 N ATOM 1731 CA VAL A 106 -7.837 4.161 2.718 1.00 61.11 C ATOM 1732 C VAL A 106 -7.810 5.587 2.136 1.00 14.22 C ATOM 1733 O VAL A 106 -8.671 6.408 2.450 1.00 41.53 O ATOM 1734 CB VAL A 106 -9.027 3.350 2.075 1.00 61.43 C ATOM 1735 CG1 VAL A 106 -8.824 3.161 0.548 1.00 71.33 C ATOM 1736 CG2 VAL A 106 -9.209 1.994 2.785 1.00 5.52 C ATOM 0 H VAL A 106 -8.874 4.411 4.532 1.00 24.34 H new ATOM 0 HA VAL A 106 -6.902 3.658 2.472 1.00 61.11 H new ATOM 0 HB VAL A 106 -9.940 3.930 2.212 1.00 61.43 H new ATOM 0 HG11 VAL A 106 -9.662 2.598 0.136 1.00 71.33 H new ATOM 0 HG12 VAL A 106 -8.770 4.136 0.065 1.00 71.33 H new ATOM 0 HG13 VAL A 106 -7.898 2.615 0.369 1.00 71.33 H new ATOM 0 HG21 VAL A 106 -10.035 1.451 2.326 1.00 5.52 H new ATOM 0 HG22 VAL A 106 -8.294 1.409 2.692 1.00 5.52 H new ATOM 0 HG23 VAL A 106 -9.427 2.162 3.840 1.00 5.52 H new ATOM 1746 N TYR A 107 -6.799 5.873 1.304 1.00 72.41 N ATOM 1747 CA TYR A 107 -6.686 7.126 0.546 1.00 22.33 C ATOM 1748 C TYR A 107 -7.020 6.856 -0.928 1.00 74.34 C ATOM 1749 O TYR A 107 -6.723 5.774 -1.451 1.00 64.42 O ATOM 1750 CB TYR A 107 -5.248 7.688 0.672 1.00 1.34 C ATOM 1751 CG TYR A 107 -4.775 7.841 2.129 1.00 31.41 C ATOM 1752 CD1 TYR A 107 -5.397 8.736 2.999 1.00 14.51 C ATOM 1753 CD2 TYR A 107 -3.732 7.064 2.639 1.00 73.35 C ATOM 1754 CE1 TYR A 107 -4.996 8.844 4.317 1.00 53.05 C ATOM 1755 CE2 TYR A 107 -3.327 7.180 3.952 1.00 31.41 C ATOM 1756 CZ TYR A 107 -3.964 8.058 4.784 1.00 25.42 C ATOM 1757 OH TYR A 107 -3.579 8.146 6.103 1.00 52.23 O ATOM 0 H TYR A 107 -6.025 5.230 1.136 1.00 72.41 H new ATOM 0 HA TYR A 107 -7.385 7.861 0.946 1.00 22.33 H new ATOM 0 HB2 TYR A 107 -4.561 7.028 0.142 1.00 1.34 H new ATOM 0 HB3 TYR A 107 -5.201 8.659 0.179 1.00 1.34 H new ATOM 0 HD1 TYR A 107 -6.205 9.355 2.637 1.00 14.51 H new ATOM 0 HD2 TYR A 107 -3.233 6.358 1.992 1.00 73.35 H new ATOM 0 HE1 TYR A 107 -5.489 9.541 4.978 1.00 53.05 H new ATOM 0 HE2 TYR A 107 -2.509 6.579 4.322 1.00 31.41 H new ATOM 0 HH TYR A 107 -4.283 7.776 6.675 1.00 52.23 H new ATOM 1767 N THR A 108 -7.638 7.842 -1.579 1.00 42.24 N ATOM 1768 CA THR A 108 -7.935 7.814 -3.021 1.00 33.00 C ATOM 1769 C THR A 108 -7.013 8.813 -3.743 1.00 51.02 C ATOM 1770 O THR A 108 -6.711 9.886 -3.195 1.00 11.43 O ATOM 1771 CB THR A 108 -9.440 8.174 -3.282 1.00 41.55 C ATOM 1772 OG1 THR A 108 -9.757 9.460 -2.708 1.00 71.54 O ATOM 1773 CG2 THR A 108 -10.398 7.100 -2.710 1.00 60.11 C ATOM 0 H THR A 108 -7.953 8.696 -1.118 1.00 42.24 H new ATOM 0 HA THR A 108 -7.758 6.810 -3.406 1.00 33.00 H new ATOM 0 HB THR A 108 -9.580 8.211 -4.362 1.00 41.55 H new ATOM 0 HG1 THR A 108 -10.698 9.672 -2.880 1.00 71.54 H new ATOM 0 HG21 THR A 108 -11.430 7.388 -2.912 1.00 60.11 H new ATOM 0 HG22 THR A 108 -10.190 6.139 -3.181 1.00 60.11 H new ATOM 0 HG23 THR A 108 -10.249 7.016 -1.633 1.00 60.11 H new ATOM 1781 N SER A 109 -6.572 8.467 -4.963 1.00 34.24 N ATOM 1782 CA SER A 109 -5.653 9.307 -5.754 1.00 32.51 C ATOM 1783 C SER A 109 -5.985 9.238 -7.246 1.00 25.11 C ATOM 1784 O SER A 109 -6.257 8.172 -7.774 1.00 10.21 O ATOM 1785 CB SER A 109 -4.188 8.899 -5.489 1.00 42.43 C ATOM 1786 OG SER A 109 -3.986 7.508 -5.578 1.00 52.23 O ATOM 0 H SER A 109 -6.840 7.600 -5.429 1.00 34.24 H new ATOM 0 HA SER A 109 -5.781 10.343 -5.439 1.00 32.51 H new ATOM 0 HB2 SER A 109 -3.540 9.403 -6.206 1.00 42.43 H new ATOM 0 HB3 SER A 109 -3.893 9.242 -4.497 1.00 42.43 H new ATOM 0 HG SER A 109 -4.850 7.048 -5.531 1.00 52.23 H new ATOM 1792 N ARG A 110 -5.947 10.411 -7.897 1.00 60.31 N ATOM 1793 CA ARG A 110 -6.252 10.584 -9.330 1.00 73.11 C ATOM 1794 C ARG A 110 -5.169 9.937 -10.212 1.00 10.02 C ATOM 1795 O ARG A 110 -5.460 9.284 -11.216 1.00 41.43 O ATOM 1796 CB ARG A 110 -6.325 12.103 -9.641 1.00 3.25 C ATOM 1797 CG ARG A 110 -7.386 12.884 -8.845 1.00 40.30 C ATOM 1798 CD ARG A 110 -8.819 12.486 -9.219 1.00 55.02 C ATOM 1799 NE ARG A 110 -9.089 12.713 -10.656 1.00 22.13 N ATOM 1800 CZ ARG A 110 -10.111 12.180 -11.348 1.00 34.02 C ATOM 1801 NH1 ARG A 110 -10.978 11.372 -10.752 1.00 45.01 N ATOM 1802 NH2 ARG A 110 -10.250 12.457 -12.638 1.00 44.44 N ATOM 0 H ARG A 110 -5.698 11.285 -7.434 1.00 60.31 H new ATOM 0 HA ARG A 110 -7.203 10.098 -9.548 1.00 73.11 H new ATOM 0 HB2 ARG A 110 -5.348 12.545 -9.445 1.00 3.25 H new ATOM 0 HB3 ARG A 110 -6.525 12.231 -10.705 1.00 3.25 H new ATOM 0 HG2 ARG A 110 -7.233 12.714 -7.779 1.00 40.30 H new ATOM 0 HG3 ARG A 110 -7.252 13.952 -9.020 1.00 40.30 H new ATOM 0 HD2 ARG A 110 -8.980 11.435 -8.979 1.00 55.02 H new ATOM 0 HD3 ARG A 110 -9.525 13.061 -8.620 1.00 55.02 H new ATOM 0 HE ARG A 110 -8.448 13.323 -11.163 1.00 22.13 H new ATOM 0 HH11 ARG A 110 -10.872 11.151 -9.762 1.00 45.01 H new ATOM 0 HH12 ARG A 110 -11.751 10.972 -11.284 1.00 45.01 H new ATOM 0 HH21 ARG A 110 -9.582 13.073 -13.102 1.00 44.44 H new ATOM 0 HH22 ARG A 110 -11.024 12.054 -13.166 1.00 44.44 H new ATOM 1816 N ASN A 111 -3.920 10.131 -9.792 1.00 71.41 N ATOM 1817 CA ASN A 111 -2.715 9.789 -10.573 1.00 33.20 C ATOM 1818 C ASN A 111 -1.494 9.843 -9.638 1.00 21.43 C ATOM 1819 O ASN A 111 -1.675 9.915 -8.418 1.00 41.11 O ATOM 1820 CB ASN A 111 -2.567 10.744 -11.805 1.00 43.32 C ATOM 1821 CG ASN A 111 -2.608 12.229 -11.431 1.00 51.23 C ATOM 1822 OD1 ASN A 111 -3.656 12.871 -11.478 1.00 24.45 O ATOM 1823 ND2 ASN A 111 -1.481 12.770 -11.036 1.00 25.40 N ATOM 0 H ASN A 111 -3.705 10.538 -8.882 1.00 71.41 H new ATOM 0 HA ASN A 111 -2.798 8.780 -10.976 1.00 33.20 H new ATOM 0 HB2 ASN A 111 -1.625 10.530 -12.310 1.00 43.32 H new ATOM 0 HB3 ASN A 111 -3.366 10.534 -12.516 1.00 43.32 H new ATOM 0 HD21 ASN A 111 -1.456 13.751 -10.756 1.00 25.40 H new ATOM 0 HD22 ASN A 111 -0.629 12.210 -11.008 1.00 25.40 H new ATOM 1830 N GLU A 112 -0.270 9.797 -10.220 1.00 24.31 N ATOM 1831 CA GLU A 112 0.998 9.719 -9.464 1.00 14.20 C ATOM 1832 C GLU A 112 1.152 10.846 -8.436 1.00 73.15 C ATOM 1833 O GLU A 112 1.661 10.598 -7.355 1.00 64.02 O ATOM 1834 CB GLU A 112 2.214 9.692 -10.441 1.00 72.21 C ATOM 1835 CG GLU A 112 3.633 9.669 -9.769 1.00 4.13 C ATOM 1836 CD GLU A 112 4.392 11.022 -9.821 1.00 54.22 C ATOM 1837 OE1 GLU A 112 3.997 11.973 -9.115 1.00 32.03 O ATOM 1838 OE2 GLU A 112 5.401 11.141 -10.554 1.00 63.01 O ATOM 0 H GLU A 112 -0.138 9.813 -11.231 1.00 24.31 H new ATOM 0 HA GLU A 112 0.971 8.787 -8.899 1.00 14.20 H new ATOM 0 HB2 GLU A 112 2.122 8.814 -11.081 1.00 72.21 H new ATOM 0 HB3 GLU A 112 2.154 10.566 -11.089 1.00 72.21 H new ATOM 0 HG2 GLU A 112 3.523 9.369 -8.727 1.00 4.13 H new ATOM 0 HG3 GLU A 112 4.240 8.907 -10.258 1.00 4.13 H new ATOM 1845 N ASP A 113 0.703 12.065 -8.784 1.00 3.24 N ATOM 1846 CA ASP A 113 0.852 13.259 -7.916 1.00 60.10 C ATOM 1847 C ASP A 113 0.119 13.088 -6.571 1.00 70.54 C ATOM 1848 O ASP A 113 0.707 13.289 -5.496 1.00 51.03 O ATOM 1849 CB ASP A 113 0.343 14.525 -8.647 1.00 4.31 C ATOM 1850 CG ASP A 113 1.176 14.876 -9.892 1.00 24.31 C ATOM 1851 OD1 ASP A 113 2.180 15.612 -9.771 1.00 10.32 O ATOM 1852 OD2 ASP A 113 0.845 14.394 -10.998 1.00 32.40 O ATOM 0 H ASP A 113 0.229 12.255 -9.667 1.00 3.24 H new ATOM 0 HA ASP A 113 1.914 13.374 -7.699 1.00 60.10 H new ATOM 0 HB2 ASP A 113 -0.695 14.375 -8.942 1.00 4.31 H new ATOM 0 HB3 ASP A 113 0.359 15.368 -7.956 1.00 4.31 H new ATOM 1857 N GLU A 114 -1.164 12.716 -6.644 1.00 2.32 N ATOM 1858 CA GLU A 114 -2.017 12.504 -5.455 1.00 13.41 C ATOM 1859 C GLU A 114 -1.579 11.242 -4.711 1.00 3.52 C ATOM 1860 O GLU A 114 -1.601 11.205 -3.477 1.00 72.25 O ATOM 1861 CB GLU A 114 -3.516 12.420 -5.863 1.00 60.32 C ATOM 1862 CG GLU A 114 -4.155 13.760 -6.285 1.00 63.12 C ATOM 1863 CD GLU A 114 -3.466 14.440 -7.483 1.00 54.13 C ATOM 1864 OE1 GLU A 114 -3.559 13.903 -8.600 1.00 14.23 O ATOM 1865 OE2 GLU A 114 -2.815 15.498 -7.300 1.00 60.44 O ATOM 0 H GLU A 114 -1.647 12.552 -7.527 1.00 2.32 H new ATOM 0 HA GLU A 114 -1.901 13.355 -4.784 1.00 13.41 H new ATOM 0 HB2 GLU A 114 -3.613 11.713 -6.687 1.00 60.32 H new ATOM 0 HB3 GLU A 114 -4.082 12.013 -5.025 1.00 60.32 H new ATOM 0 HG2 GLU A 114 -5.202 13.588 -6.533 1.00 63.12 H new ATOM 0 HG3 GLU A 114 -4.136 14.442 -5.435 1.00 63.12 H new ATOM 1872 N ALA A 115 -1.160 10.230 -5.494 1.00 10.12 N ATOM 1873 CA ALA A 115 -0.636 8.959 -4.975 1.00 41.13 C ATOM 1874 C ALA A 115 0.625 9.189 -4.146 1.00 34.34 C ATOM 1875 O ALA A 115 0.791 8.588 -3.093 1.00 14.23 O ATOM 1876 CB ALA A 115 -0.323 8.010 -6.130 1.00 52.42 C ATOM 0 H ALA A 115 -1.177 10.275 -6.513 1.00 10.12 H new ATOM 0 HA ALA A 115 -1.398 8.514 -4.335 1.00 41.13 H new ATOM 0 HB1 ALA A 115 0.065 7.071 -5.735 1.00 52.42 H new ATOM 0 HB2 ALA A 115 -1.233 7.816 -6.698 1.00 52.42 H new ATOM 0 HB3 ALA A 115 0.423 8.464 -6.782 1.00 52.42 H new ATOM 1882 N LYS A 116 1.479 10.106 -4.648 1.00 20.24 N ATOM 1883 CA LYS A 116 2.784 10.439 -4.060 1.00 1.14 C ATOM 1884 C LYS A 116 2.593 11.157 -2.727 1.00 5.44 C ATOM 1885 O LYS A 116 3.266 10.831 -1.752 1.00 44.14 O ATOM 1886 CB LYS A 116 3.605 11.325 -5.039 1.00 24.24 C ATOM 1887 CG LYS A 116 4.966 11.832 -4.490 1.00 61.22 C ATOM 1888 CD LYS A 116 5.852 12.472 -5.586 1.00 31.12 C ATOM 1889 CE LYS A 116 6.213 11.478 -6.706 1.00 55.11 C ATOM 1890 NZ LYS A 116 7.042 12.105 -7.765 1.00 64.13 N ATOM 0 H LYS A 116 1.272 10.643 -5.490 1.00 20.24 H new ATOM 0 HA LYS A 116 3.335 9.515 -3.883 1.00 1.14 H new ATOM 0 HB2 LYS A 116 3.788 10.757 -5.951 1.00 24.24 H new ATOM 0 HB3 LYS A 116 3.000 12.188 -5.317 1.00 24.24 H new ATOM 0 HG2 LYS A 116 4.785 12.563 -3.702 1.00 61.22 H new ATOM 0 HG3 LYS A 116 5.503 10.999 -4.035 1.00 61.22 H new ATOM 0 HD2 LYS A 116 5.331 13.327 -6.017 1.00 31.12 H new ATOM 0 HD3 LYS A 116 6.767 12.852 -5.133 1.00 31.12 H new ATOM 0 HE2 LYS A 116 6.751 10.632 -6.279 1.00 55.11 H new ATOM 0 HE3 LYS A 116 5.298 11.084 -7.149 1.00 55.11 H new ATOM 0 HZ1 LYS A 116 7.261 11.400 -8.497 1.00 64.13 H new ATOM 0 HZ2 LYS A 116 6.520 12.897 -8.192 1.00 64.13 H new ATOM 0 HZ3 LYS A 116 7.927 12.458 -7.349 1.00 64.13 H new ATOM 1904 N LYS A 117 1.647 12.124 -2.697 1.00 44.13 N ATOM 1905 CA LYS A 117 1.327 12.882 -1.470 1.00 64.40 C ATOM 1906 C LYS A 117 0.839 11.926 -0.371 1.00 51.22 C ATOM 1907 O LYS A 117 1.396 11.918 0.723 1.00 32.04 O ATOM 1908 CB LYS A 117 0.275 13.999 -1.739 1.00 74.53 C ATOM 1909 CG LYS A 117 0.833 15.221 -2.502 1.00 44.54 C ATOM 1910 CD LYS A 117 -0.212 16.357 -2.665 1.00 10.15 C ATOM 1911 CE LYS A 117 -1.358 16.006 -3.632 1.00 63.32 C ATOM 1912 NZ LYS A 117 -0.875 15.819 -5.021 1.00 33.13 N ATOM 0 H LYS A 117 1.093 12.396 -3.509 1.00 44.13 H new ATOM 0 HA LYS A 117 2.239 13.374 -1.132 1.00 64.40 H new ATOM 0 HB2 LYS A 117 -0.552 13.575 -2.309 1.00 74.53 H new ATOM 0 HB3 LYS A 117 -0.134 14.335 -0.786 1.00 74.53 H new ATOM 0 HG2 LYS A 117 1.704 15.608 -1.972 1.00 44.54 H new ATOM 0 HG3 LYS A 117 1.174 14.903 -3.487 1.00 44.54 H new ATOM 0 HD2 LYS A 117 -0.632 16.596 -1.688 1.00 10.15 H new ATOM 0 HD3 LYS A 117 0.292 17.255 -3.023 1.00 10.15 H new ATOM 0 HE2 LYS A 117 -1.851 15.095 -3.294 1.00 63.32 H new ATOM 0 HE3 LYS A 117 -2.105 16.799 -3.612 1.00 63.32 H new ATOM 0 HZ1 LYS A 117 -1.687 15.668 -5.653 1.00 33.13 H new ATOM 0 HZ2 LYS A 117 -0.353 16.666 -5.324 1.00 33.13 H new ATOM 0 HZ3 LYS A 117 -0.246 14.992 -5.061 1.00 33.13 H new ATOM 1926 N LYS A 118 -0.156 11.080 -0.712 1.00 54.34 N ATOM 1927 CA LYS A 118 -0.785 10.136 0.240 1.00 43.43 C ATOM 1928 C LYS A 118 0.173 9.021 0.674 1.00 74.13 C ATOM 1929 O LYS A 118 0.040 8.474 1.779 1.00 54.33 O ATOM 1930 CB LYS A 118 -2.082 9.544 -0.378 1.00 64.33 C ATOM 1931 CG LYS A 118 -3.164 10.609 -0.663 1.00 64.54 C ATOM 1932 CD LYS A 118 -3.534 11.416 0.609 1.00 41.24 C ATOM 1933 CE LYS A 118 -4.432 12.626 0.327 1.00 30.33 C ATOM 1934 NZ LYS A 118 -4.639 13.421 1.566 1.00 54.31 N ATOM 0 H LYS A 118 -0.546 11.031 -1.653 1.00 54.34 H new ATOM 0 HA LYS A 118 -1.041 10.696 1.140 1.00 43.43 H new ATOM 0 HB2 LYS A 118 -1.833 9.032 -1.307 1.00 64.33 H new ATOM 0 HB3 LYS A 118 -2.490 8.794 0.300 1.00 64.33 H new ATOM 0 HG2 LYS A 118 -2.807 11.291 -1.434 1.00 64.54 H new ATOM 0 HG3 LYS A 118 -4.057 10.123 -1.056 1.00 64.54 H new ATOM 0 HD2 LYS A 118 -4.039 10.756 1.314 1.00 41.24 H new ATOM 0 HD3 LYS A 118 -2.618 11.758 1.092 1.00 41.24 H new ATOM 0 HE2 LYS A 118 -3.978 13.251 -0.442 1.00 30.33 H new ATOM 0 HE3 LYS A 118 -5.393 12.290 -0.061 1.00 30.33 H new ATOM 0 HZ1 LYS A 118 -4.912 14.392 1.314 1.00 54.31 H new ATOM 0 HZ2 LYS A 118 -5.393 12.986 2.135 1.00 54.31 H new ATOM 0 HZ3 LYS A 118 -3.757 13.441 2.117 1.00 54.31 H new ATOM 1948 N LEU A 119 1.121 8.697 -0.214 1.00 62.33 N ATOM 1949 CA LEU A 119 2.175 7.704 0.033 1.00 2.32 C ATOM 1950 C LEU A 119 3.121 8.199 1.122 1.00 21.15 C ATOM 1951 O LEU A 119 3.355 7.509 2.120 1.00 4.52 O ATOM 1952 CB LEU A 119 2.940 7.429 -1.281 1.00 51.53 C ATOM 1953 CG LEU A 119 4.104 6.402 -1.225 1.00 70.13 C ATOM 1954 CD1 LEU A 119 3.645 5.048 -0.628 1.00 64.33 C ATOM 1955 CD2 LEU A 119 4.712 6.231 -2.632 1.00 41.24 C ATOM 0 H LEU A 119 1.179 9.124 -1.139 1.00 62.33 H new ATOM 0 HA LEU A 119 1.725 6.773 0.378 1.00 2.32 H new ATOM 0 HB2 LEU A 119 2.221 7.084 -2.024 1.00 51.53 H new ATOM 0 HB3 LEU A 119 3.342 8.376 -1.642 1.00 51.53 H new ATOM 0 HG LEU A 119 4.876 6.786 -0.558 1.00 70.13 H new ATOM 0 HD11 LEU A 119 4.487 4.356 -0.605 1.00 64.33 H new ATOM 0 HD12 LEU A 119 3.276 5.204 0.386 1.00 64.33 H new ATOM 0 HD13 LEU A 119 2.849 4.630 -1.244 1.00 64.33 H new ATOM 0 HD21 LEU A 119 5.528 5.510 -2.590 1.00 41.24 H new ATOM 0 HD22 LEU A 119 3.945 5.872 -3.318 1.00 41.24 H new ATOM 0 HD23 LEU A 119 5.093 7.190 -2.983 1.00 41.24 H new ATOM 1967 N LYS A 120 3.617 9.423 0.922 1.00 11.20 N ATOM 1968 CA LYS A 120 4.570 10.069 1.826 1.00 24.44 C ATOM 1969 C LYS A 120 3.886 10.473 3.138 1.00 63.54 C ATOM 1970 O LYS A 120 4.527 10.476 4.176 1.00 44.14 O ATOM 1971 CB LYS A 120 5.222 11.285 1.130 1.00 54.40 C ATOM 1972 CG LYS A 120 5.945 10.925 -0.192 1.00 72.04 C ATOM 1973 CD LYS A 120 6.450 12.172 -0.957 1.00 43.55 C ATOM 1974 CE LYS A 120 7.585 12.889 -0.220 1.00 45.21 C ATOM 1975 NZ LYS A 120 8.749 11.985 -0.025 1.00 31.44 N ATOM 0 H LYS A 120 3.365 9.999 0.119 1.00 11.20 H new ATOM 0 HA LYS A 120 5.358 9.358 2.074 1.00 24.44 H new ATOM 0 HB2 LYS A 120 4.454 12.031 0.924 1.00 54.40 H new ATOM 0 HB3 LYS A 120 5.937 11.744 1.813 1.00 54.40 H new ATOM 0 HG2 LYS A 120 6.790 10.272 0.027 1.00 72.04 H new ATOM 0 HG3 LYS A 120 5.265 10.363 -0.832 1.00 72.04 H new ATOM 0 HD2 LYS A 120 6.795 11.873 -1.947 1.00 43.55 H new ATOM 0 HD3 LYS A 120 5.621 12.865 -1.104 1.00 43.55 H new ATOM 0 HE2 LYS A 120 7.893 13.768 -0.787 1.00 45.21 H new ATOM 0 HE3 LYS A 120 7.229 13.243 0.748 1.00 45.21 H new ATOM 0 HZ1 LYS A 120 9.630 12.533 -0.098 1.00 31.44 H new ATOM 0 HZ2 LYS A 120 8.692 11.544 0.915 1.00 31.44 H new ATOM 0 HZ3 LYS A 120 8.740 11.245 -0.755 1.00 31.44 H new ATOM 1989 N GLU A 121 2.571 10.786 3.066 1.00 75.32 N ATOM 1990 CA GLU A 121 1.729 11.065 4.254 1.00 35.21 C ATOM 1991 C GLU A 121 1.609 9.808 5.132 1.00 1.21 C ATOM 1992 O GLU A 121 1.711 9.894 6.359 1.00 4.23 O ATOM 1993 CB GLU A 121 0.319 11.600 3.833 1.00 52.03 C ATOM 1994 CG GLU A 121 0.305 13.089 3.404 1.00 50.31 C ATOM 1995 CD GLU A 121 -1.027 13.528 2.757 1.00 20.31 C ATOM 1996 OE1 GLU A 121 -2.047 13.622 3.468 1.00 52.33 O ATOM 1997 OE2 GLU A 121 -1.068 13.772 1.531 1.00 25.52 O ATOM 0 H GLU A 121 2.064 10.852 2.183 1.00 75.32 H new ATOM 0 HA GLU A 121 2.212 11.846 4.841 1.00 35.21 H new ATOM 0 HB2 GLU A 121 -0.056 10.993 3.009 1.00 52.03 H new ATOM 0 HB3 GLU A 121 -0.371 11.467 4.666 1.00 52.03 H new ATOM 0 HG2 GLU A 121 0.500 13.713 4.276 1.00 50.31 H new ATOM 0 HG3 GLU A 121 1.118 13.264 2.699 1.00 50.31 H new ATOM 2004 N ALA A 122 1.437 8.645 4.481 1.00 13.33 N ATOM 2005 CA ALA A 122 1.381 7.337 5.162 1.00 72.51 C ATOM 2006 C ALA A 122 2.763 6.963 5.756 1.00 61.22 C ATOM 2007 O ALA A 122 2.840 6.272 6.783 1.00 2.32 O ATOM 2008 CB ALA A 122 0.875 6.268 4.184 1.00 74.12 C ATOM 0 H ALA A 122 1.333 8.584 3.468 1.00 13.33 H new ATOM 0 HA ALA A 122 0.682 7.397 5.996 1.00 72.51 H new ATOM 0 HB1 ALA A 122 0.834 5.303 4.689 1.00 74.12 H new ATOM 0 HB2 ALA A 122 -0.122 6.537 3.835 1.00 74.12 H new ATOM 0 HB3 ALA A 122 1.553 6.204 3.333 1.00 74.12 H new ATOM 2014 N LEU A 123 3.842 7.435 5.090 1.00 53.30 N ATOM 2015 CA LEU A 123 5.239 7.267 5.555 1.00 1.31 C ATOM 2016 C LEU A 123 5.528 8.166 6.783 1.00 11.04 C ATOM 2017 O LEU A 123 6.239 7.758 7.707 1.00 15.55 O ATOM 2018 CB LEU A 123 6.228 7.565 4.387 1.00 11.01 C ATOM 2019 CG LEU A 123 6.235 6.516 3.225 1.00 53.25 C ATOM 2020 CD1 LEU A 123 7.059 7.009 2.012 1.00 35.33 C ATOM 2021 CD2 LEU A 123 6.734 5.141 3.727 1.00 14.42 C ATOM 0 H LEU A 123 3.768 7.946 4.210 1.00 53.30 H new ATOM 0 HA LEU A 123 5.381 6.233 5.871 1.00 1.31 H new ATOM 0 HB2 LEU A 123 5.986 8.542 3.969 1.00 11.01 H new ATOM 0 HB3 LEU A 123 7.236 7.634 4.796 1.00 11.01 H new ATOM 0 HG LEU A 123 5.207 6.396 2.883 1.00 53.25 H new ATOM 0 HD11 LEU A 123 7.039 6.253 1.227 1.00 35.33 H new ATOM 0 HD12 LEU A 123 6.630 7.936 1.633 1.00 35.33 H new ATOM 0 HD13 LEU A 123 8.090 7.186 2.320 1.00 35.33 H new ATOM 0 HD21 LEU A 123 6.730 4.429 2.902 1.00 14.42 H new ATOM 0 HD22 LEU A 123 7.748 5.241 4.115 1.00 14.42 H new ATOM 0 HD23 LEU A 123 6.077 4.782 4.519 1.00 14.42 H new ATOM 2033 N GLU A 124 4.940 9.376 6.794 1.00 30.04 N ATOM 2034 CA GLU A 124 5.074 10.334 7.913 1.00 41.21 C ATOM 2035 C GLU A 124 4.336 9.800 9.163 1.00 13.52 C ATOM 2036 O GLU A 124 4.823 9.933 10.288 1.00 43.43 O ATOM 2037 CB GLU A 124 4.511 11.727 7.508 1.00 30.11 C ATOM 2038 CG GLU A 124 5.302 12.469 6.406 1.00 52.22 C ATOM 2039 CD GLU A 124 4.607 13.770 5.954 1.00 23.12 C ATOM 2040 OE1 GLU A 124 3.737 13.709 5.056 1.00 22.03 O ATOM 2041 OE2 GLU A 124 4.890 14.848 6.524 1.00 61.54 O ATOM 0 H GLU A 124 4.359 9.719 6.030 1.00 30.04 H new ATOM 0 HA GLU A 124 6.132 10.445 8.150 1.00 41.21 H new ATOM 0 HB2 GLU A 124 3.483 11.600 7.170 1.00 30.11 H new ATOM 0 HB3 GLU A 124 4.479 12.359 8.396 1.00 30.11 H new ATOM 0 HG2 GLU A 124 6.300 12.704 6.775 1.00 52.22 H new ATOM 0 HG3 GLU A 124 5.427 11.810 5.547 1.00 52.22 H new ATOM 2048 N LYS A 125 3.170 9.162 8.924 1.00 15.24 N ATOM 2049 CA LYS A 125 2.310 8.587 9.983 1.00 61.50 C ATOM 2050 C LYS A 125 2.901 7.288 10.568 1.00 62.51 C ATOM 2051 O LYS A 125 2.501 6.859 11.653 1.00 5.01 O ATOM 2052 CB LYS A 125 0.872 8.338 9.429 1.00 63.14 C ATOM 2053 CG LYS A 125 0.093 9.633 9.101 1.00 44.30 C ATOM 2054 CD LYS A 125 -1.311 9.361 8.515 1.00 23.33 C ATOM 2055 CE LYS A 125 -2.098 10.658 8.267 1.00 64.43 C ATOM 2056 NZ LYS A 125 -3.451 10.393 7.709 1.00 30.30 N ATOM 0 H LYS A 125 2.796 9.030 7.984 1.00 15.24 H new ATOM 0 HA LYS A 125 2.259 9.310 10.797 1.00 61.50 H new ATOM 0 HB2 LYS A 125 0.941 7.729 8.527 1.00 63.14 H new ATOM 0 HB3 LYS A 125 0.306 7.761 10.161 1.00 63.14 H new ATOM 0 HG2 LYS A 125 -0.007 10.230 10.008 1.00 44.30 H new ATOM 0 HG3 LYS A 125 0.668 10.227 8.391 1.00 44.30 H new ATOM 0 HD2 LYS A 125 -1.212 8.813 7.578 1.00 23.33 H new ATOM 0 HD3 LYS A 125 -1.871 8.723 9.199 1.00 23.33 H new ATOM 0 HE2 LYS A 125 -2.194 11.208 9.203 1.00 64.43 H new ATOM 0 HE3 LYS A 125 -1.541 11.294 7.579 1.00 64.43 H new ATOM 0 HZ1 LYS A 125 -3.804 11.248 7.233 1.00 30.30 H new ATOM 0 HZ2 LYS A 125 -3.397 9.612 7.024 1.00 30.30 H new ATOM 0 HZ3 LYS A 125 -4.099 10.133 8.479 1.00 30.30 H new ATOM 2070 N SER A 126 3.834 6.662 9.838 1.00 24.42 N ATOM 2071 CA SER A 126 4.553 5.466 10.314 1.00 44.12 C ATOM 2072 C SER A 126 5.855 5.846 11.052 1.00 54.31 C ATOM 2073 O SER A 126 6.415 5.018 11.784 1.00 23.51 O ATOM 2074 CB SER A 126 4.832 4.526 9.129 1.00 21.51 C ATOM 2075 OG SER A 126 5.486 5.196 8.076 1.00 63.13 O ATOM 0 H SER A 126 4.113 6.966 8.905 1.00 24.42 H new ATOM 0 HA SER A 126 3.924 4.943 11.035 1.00 44.12 H new ATOM 0 HB2 SER A 126 5.445 3.689 9.464 1.00 21.51 H new ATOM 0 HB3 SER A 126 3.893 4.108 8.767 1.00 21.51 H new ATOM 0 HG SER A 126 5.745 6.094 8.371 1.00 63.13 H new ATOM 2081 N GLY A 127 6.322 7.095 10.844 1.00 31.24 N ATOM 2082 CA GLY A 127 7.498 7.636 11.541 1.00 71.54 C ATOM 2083 C GLY A 127 8.635 8.011 10.606 1.00 55.34 C ATOM 2084 O GLY A 127 9.540 8.751 11.006 1.00 12.23 O ATOM 0 H GLY A 127 5.894 7.751 10.190 1.00 31.24 H new ATOM 0 HA2 GLY A 127 7.200 8.517 12.110 1.00 71.54 H new ATOM 0 HA3 GLY A 127 7.856 6.898 12.259 1.00 71.54 H new ATOM 2088 N SER A 128 8.601 7.497 9.363 1.00 50.44 N ATOM 2089 CA SER A 128 9.620 7.787 8.343 1.00 74.45 C ATOM 2090 C SER A 128 9.476 9.244 7.840 1.00 51.01 C ATOM 2091 O SER A 128 8.426 9.621 7.316 1.00 34.14 O ATOM 2092 CB SER A 128 9.482 6.777 7.175 1.00 15.51 C ATOM 2093 OG SER A 128 9.627 5.438 7.639 1.00 62.33 O ATOM 0 H SER A 128 7.865 6.869 9.039 1.00 50.44 H new ATOM 0 HA SER A 128 10.613 7.682 8.780 1.00 74.45 H new ATOM 0 HB2 SER A 128 8.509 6.897 6.698 1.00 15.51 H new ATOM 0 HB3 SER A 128 10.237 6.987 6.417 1.00 15.51 H new ATOM 0 HG SER A 128 8.979 4.862 7.183 1.00 62.33 H new ATOM 2099 N LEU A 129 10.525 10.063 8.039 1.00 4.21 N ATOM 2100 CA LEU A 129 10.535 11.502 7.680 1.00 31.43 C ATOM 2101 C LEU A 129 11.822 11.840 6.908 1.00 2.34 C ATOM 2102 O LEU A 129 12.903 11.365 7.262 1.00 54.32 O ATOM 2103 CB LEU A 129 10.438 12.377 8.970 1.00 10.55 C ATOM 2104 CG LEU A 129 9.142 12.184 9.830 1.00 33.41 C ATOM 2105 CD1 LEU A 129 9.256 12.877 11.203 1.00 14.23 C ATOM 2106 CD2 LEU A 129 7.894 12.667 9.063 1.00 20.31 C ATOM 0 H LEU A 129 11.400 9.746 8.457 1.00 4.21 H new ATOM 0 HA LEU A 129 9.675 11.715 7.046 1.00 31.43 H new ATOM 0 HB2 LEU A 129 11.303 12.162 9.598 1.00 10.55 H new ATOM 0 HB3 LEU A 129 10.506 13.426 8.681 1.00 10.55 H new ATOM 0 HG LEU A 129 9.031 11.116 10.018 1.00 33.41 H new ATOM 0 HD11 LEU A 129 8.337 12.719 11.768 1.00 14.23 H new ATOM 0 HD12 LEU A 129 10.097 12.457 11.754 1.00 14.23 H new ATOM 0 HD13 LEU A 129 9.414 13.946 11.059 1.00 14.23 H new ATOM 0 HD21 LEU A 129 7.008 12.522 9.681 1.00 20.31 H new ATOM 0 HD22 LEU A 129 8.001 13.725 8.824 1.00 20.31 H new ATOM 0 HD23 LEU A 129 7.790 12.095 8.141 1.00 20.31 H new ATOM 2118 N GLU A 130 11.688 12.667 5.860 1.00 50.30 N ATOM 2119 CA GLU A 130 12.818 13.147 5.043 1.00 14.20 C ATOM 2120 C GLU A 130 12.378 14.400 4.294 1.00 71.15 C ATOM 2121 O GLU A 130 12.831 15.513 4.590 1.00 20.11 O ATOM 2122 CB GLU A 130 13.297 12.050 4.047 1.00 12.12 C ATOM 2123 CG GLU A 130 14.409 12.471 3.060 1.00 55.43 C ATOM 2124 CD GLU A 130 15.708 12.900 3.762 1.00 14.53 C ATOM 2125 OE1 GLU A 130 16.456 12.017 4.231 1.00 14.04 O ATOM 2126 OE2 GLU A 130 15.983 14.120 3.846 1.00 64.02 O ATOM 0 H GLU A 130 10.785 13.026 5.551 1.00 50.30 H new ATOM 0 HA GLU A 130 13.661 13.382 5.693 1.00 14.20 H new ATOM 0 HB2 GLU A 130 13.653 11.196 4.622 1.00 12.12 H new ATOM 0 HB3 GLU A 130 12.437 11.710 3.471 1.00 12.12 H new ATOM 0 HG2 GLU A 130 14.624 11.640 2.388 1.00 55.43 H new ATOM 0 HG3 GLU A 130 14.047 13.294 2.444 1.00 55.43 H new ATOM 2133 N HIS A 131 11.472 14.203 3.327 1.00 71.43 N ATOM 2134 CA HIS A 131 10.899 15.287 2.549 1.00 4.42 C ATOM 2135 C HIS A 131 9.766 15.911 3.359 1.00 41.34 C ATOM 2136 O HIS A 131 8.667 15.340 3.428 1.00 21.34 O ATOM 2137 CB HIS A 131 10.396 14.771 1.180 1.00 54.13 C ATOM 2138 CG HIS A 131 11.439 14.062 0.354 1.00 21.22 C ATOM 2139 ND1 HIS A 131 11.416 12.695 0.197 1.00 3.55 N ATOM 2140 CD2 HIS A 131 12.491 14.563 -0.340 1.00 11.33 C ATOM 2141 CE1 HIS A 131 12.436 12.403 -0.585 1.00 61.13 C ATOM 2142 NE2 HIS A 131 13.112 13.499 -0.935 1.00 3.11 N ATOM 0 H HIS A 131 11.121 13.281 3.069 1.00 71.43 H new ATOM 0 HA HIS A 131 11.657 16.043 2.344 1.00 4.42 H new ATOM 0 HB2 HIS A 131 9.561 14.091 1.348 1.00 54.13 H new ATOM 0 HB3 HIS A 131 10.011 15.615 0.608 1.00 54.13 H new ATOM 0 HD2 HIS A 131 12.782 15.601 -0.409 1.00 11.33 H new ATOM 0 HE1 HIS A 131 12.692 11.403 -0.902 1.00 61.13 H new ATOM 0 HE2 HIS A 131 13.937 13.536 -1.534 1.00 3.11 H new ATOM 2150 N HIS A 132 10.080 17.036 4.032 1.00 22.33 N ATOM 2151 CA HIS A 132 9.099 17.819 4.793 1.00 15.52 C ATOM 2152 C HIS A 132 7.971 18.253 3.847 1.00 62.22 C ATOM 2153 O HIS A 132 8.244 18.868 2.809 1.00 33.03 O ATOM 2154 CB HIS A 132 9.782 19.052 5.449 1.00 2.12 C ATOM 2155 CG HIS A 132 8.860 19.949 6.241 1.00 12.54 C ATOM 2156 ND1 HIS A 132 8.421 21.150 5.740 1.00 54.13 N ATOM 2157 CD2 HIS A 132 8.340 19.775 7.481 1.00 0.04 C ATOM 2158 CE1 HIS A 132 7.652 21.674 6.676 1.00 10.13 C ATOM 2159 NE2 HIS A 132 7.574 20.877 7.752 1.00 42.21 N ATOM 0 H HIS A 132 11.023 17.424 4.060 1.00 22.33 H new ATOM 0 HA HIS A 132 8.680 17.210 5.594 1.00 15.52 H new ATOM 0 HB2 HIS A 132 10.576 18.700 6.108 1.00 2.12 H new ATOM 0 HB3 HIS A 132 10.256 19.644 4.666 1.00 2.12 H new ATOM 0 HD2 HIS A 132 8.500 18.928 8.132 1.00 0.04 H new ATOM 0 HE1 HIS A 132 7.149 22.625 6.587 1.00 10.13 H new ATOM 0 HE2 HIS A 132 7.046 21.057 8.606 1.00 42.21 H new ATOM 2167 N HIS A 133 6.731 17.860 4.183 1.00 43.24 N ATOM 2168 CA HIS A 133 5.541 18.170 3.383 1.00 55.31 C ATOM 2169 C HIS A 133 5.221 19.684 3.511 1.00 43.44 C ATOM 2170 O HIS A 133 4.416 20.107 4.346 1.00 13.44 O ATOM 2171 CB HIS A 133 4.358 17.261 3.832 1.00 54.10 C ATOM 2172 CG HIS A 133 3.110 17.401 3.003 1.00 61.21 C ATOM 2173 ND1 HIS A 133 1.929 17.898 3.502 1.00 71.13 N ATOM 2174 CD2 HIS A 133 2.861 17.093 1.706 1.00 11.54 C ATOM 2175 CE1 HIS A 133 1.015 17.883 2.560 1.00 54.30 C ATOM 2176 NE2 HIS A 133 1.551 17.405 1.457 1.00 23.02 N ATOM 0 H HIS A 133 6.528 17.316 5.022 1.00 43.24 H new ATOM 0 HA HIS A 133 5.719 17.962 2.328 1.00 55.31 H new ATOM 0 HB2 HIS A 133 4.684 16.221 3.801 1.00 54.10 H new ATOM 0 HB3 HIS A 133 4.116 17.489 4.870 1.00 54.10 H new ATOM 0 HD2 HIS A 133 3.565 16.678 1.000 1.00 11.54 H new ATOM 0 HE1 HIS A 133 -0.008 18.209 2.672 1.00 54.30 H new ATOM 0 HE2 HIS A 133 1.071 17.287 0.565 1.00 23.02 H new ATOM 2185 N HIS A 134 5.942 20.488 2.700 1.00 11.21 N ATOM 2186 CA HIS A 134 5.909 21.967 2.737 1.00 0.31 C ATOM 2187 C HIS A 134 5.141 22.540 1.531 1.00 4.12 C ATOM 2188 O HIS A 134 4.963 21.868 0.503 1.00 50.30 O ATOM 2189 CB HIS A 134 7.362 22.534 2.774 1.00 73.23 C ATOM 2190 CG HIS A 134 8.215 22.215 1.562 1.00 12.11 C ATOM 2191 ND1 HIS A 134 9.155 21.210 1.545 1.00 71.42 N ATOM 2192 CD2 HIS A 134 8.264 22.778 0.324 1.00 22.53 C ATOM 2193 CE1 HIS A 134 9.738 21.171 0.364 1.00 43.41 C ATOM 2194 NE2 HIS A 134 9.216 22.106 -0.394 1.00 13.33 N ATOM 0 H HIS A 134 6.574 20.121 1.989 1.00 11.21 H new ATOM 0 HA HIS A 134 5.384 22.272 3.642 1.00 0.31 H new ATOM 0 HB2 HIS A 134 7.309 23.617 2.885 1.00 73.23 H new ATOM 0 HB3 HIS A 134 7.863 22.147 3.662 1.00 73.23 H new ATOM 0 HD1 HIS A 134 9.368 20.590 2.327 1.00 71.42 H new ATOM 0 HD2 HIS A 134 7.662 23.603 -0.027 1.00 22.53 H new ATOM 0 HE1 HIS A 134 10.517 20.483 0.069 1.00 43.41 H new ATOM 2203 N HIS A 135 4.712 23.797 1.668 1.00 63.31 N ATOM 2204 CA HIS A 135 4.009 24.534 0.615 1.00 15.42 C ATOM 2205 C HIS A 135 5.026 25.200 -0.339 1.00 60.52 C ATOM 2206 O HIS A 135 5.560 26.284 -0.050 1.00 41.34 O ATOM 2207 CB HIS A 135 3.062 25.582 1.249 1.00 14.31 C ATOM 2208 CG HIS A 135 2.225 26.331 0.250 1.00 71.30 C ATOM 2209 ND1 HIS A 135 2.526 27.604 -0.185 1.00 53.52 N ATOM 2210 CD2 HIS A 135 1.110 25.964 -0.427 1.00 34.44 C ATOM 2211 CE1 HIS A 135 1.637 27.983 -1.077 1.00 73.44 C ATOM 2212 NE2 HIS A 135 0.772 27.009 -1.242 1.00 34.41 N ATOM 0 H HIS A 135 4.844 24.338 2.523 1.00 63.31 H new ATOM 0 HA HIS A 135 3.406 23.841 0.029 1.00 15.42 H new ATOM 0 HB2 HIS A 135 2.403 25.080 1.957 1.00 14.31 H new ATOM 0 HB3 HIS A 135 3.656 26.297 1.819 1.00 14.31 H new ATOM 0 HD2 HIS A 135 0.587 25.023 -0.339 1.00 34.44 H new ATOM 0 HE1 HIS A 135 1.621 28.935 -1.588 1.00 73.44 H new ATOM 0 HE2 HIS A 135 -0.026 27.029 -1.877 1.00 34.41 H new ATOM 2221 N HIS A 136 5.324 24.509 -1.453 1.00 32.35 N ATOM 2222 CA HIS A 136 6.132 25.061 -2.548 1.00 53.30 C ATOM 2223 C HIS A 136 5.239 25.990 -3.408 1.00 24.14 C ATOM 2224 O HIS A 136 5.540 27.197 -3.519 1.00 42.54 O ATOM 2225 CB HIS A 136 6.757 23.938 -3.418 1.00 53.44 C ATOM 2226 CG HIS A 136 7.551 24.466 -4.594 1.00 13.44 C ATOM 2227 ND1 HIS A 136 7.083 24.435 -5.891 1.00 34.01 N ATOM 2228 CD2 HIS A 136 8.766 25.068 -4.657 1.00 72.11 C ATOM 2229 CE1 HIS A 136 7.972 24.989 -6.694 1.00 51.42 C ATOM 2230 NE2 HIS A 136 8.997 25.382 -5.970 1.00 23.21 N ATOM 2231 OXT HIS A 136 4.209 25.510 -3.925 1.00 36.91 O ATOM 0 H HIS A 136 5.010 23.552 -1.617 1.00 32.35 H new ATOM 0 HA HIS A 136 6.959 25.632 -2.125 1.00 53.30 H new ATOM 0 HB2 HIS A 136 7.408 23.324 -2.795 1.00 53.44 H new ATOM 0 HB3 HIS A 136 5.963 23.288 -3.786 1.00 53.44 H new ATOM 0 HD2 HIS A 136 9.428 25.263 -3.826 1.00 72.11 H new ATOM 0 HE1 HIS A 136 7.874 25.101 -7.764 1.00 51.42 H new ATOM 0 HE2 HIS A 136 9.831 25.847 -6.329 1.00 23.21 H new TER 2240 HIS A 136