USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 739 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 31 GLN : amide:sc= 0.411 K(o=0.79,f=-0.38) USER MOD Set 1.2: A 96 TYR OH : rot 180:sc= 0.379 USER MOD Single : A 6 SER OG : rot 19:sc= 0.302 USER MOD Single : A 8 THR OG1 : rot -120:sc= 0.123 USER MOD Single : A 10 LYS NZ :NH3+ -178:sc= 0.708 (180deg=0.703) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -118:sc= 0.211 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -140:sc= 0.134 (180deg=-0.616!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.47) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.742 K(o=-0.74,f=-8.6!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 18:sc= 0.0522 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -81:sc= 1.31 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0681 USER MOD Single : A 60 HIS : no HE2:sc= 0.575 K(o=0.57,f=-2.2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 177:sc= -0.327 (180deg=-0.33) USER MOD Single : A 63 ASN : amide:sc= -0.0254 X(o=-0.025,f=-0.083) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 70 THR OG1 : rot 11:sc= 0.66 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.41) USER MOD Single : A 85 HIS : no HD1:sc= -0.0589 X(o=-0.059,f=-0.074) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0441 USER MOD Single : A 90 TYR OH : rot 158:sc= 1.15 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 172:sc=-0.00671 (180deg=-0.0941) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.688 K(o=0.69,f=-0.18) USER MOD Single : A 102 GLN : amide:sc= 0.668 K(o=0.67,f=-0.5) USER MOD Single : A 108 ASN : amide:sc= -0.0195 X(o=-0.02,f=0) USER MOD Single : A 109 TYR OH : rot 143:sc= 0.78 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 6 -8.510 -13.050 -11.146 1.00 63.44 N ATOM 64 CA SER A 6 -8.020 -13.230 -9.796 1.00 4.10 C ATOM 65 C SER A 6 -7.037 -14.389 -9.672 1.00 3.14 C ATOM 66 O SER A 6 -6.880 -14.986 -8.605 1.00 74.52 O ATOM 67 CB SER A 6 -9.192 -13.397 -8.820 1.00 62.24 C ATOM 68 OG SER A 6 -10.303 -12.580 -9.140 1.00 31.43 O ATOM 0 HA SER A 6 -7.466 -12.328 -9.535 1.00 4.10 H new ATOM 0 HB2 SER A 6 -9.506 -14.441 -8.814 1.00 62.24 H new ATOM 0 HB3 SER A 6 -8.853 -13.160 -7.811 1.00 62.24 H new ATOM 0 HG SER A 6 -10.236 -12.287 -10.073 1.00 31.43 H new ATOM 73 N ASP A 7 -6.360 -14.715 -10.765 1.00 41.01 N ATOM 74 CA ASP A 7 -5.617 -15.964 -10.910 1.00 12.43 C ATOM 75 C ASP A 7 -4.211 -15.895 -10.316 1.00 13.21 C ATOM 76 O ASP A 7 -3.443 -16.850 -10.416 1.00 24.33 O ATOM 77 CB ASP A 7 -5.617 -16.335 -12.400 1.00 41.12 C ATOM 78 CG ASP A 7 -6.733 -17.322 -12.723 1.00 35.41 C ATOM 79 OD1 ASP A 7 -7.923 -16.924 -12.741 1.00 15.10 O ATOM 80 OD2 ASP A 7 -6.455 -18.517 -12.963 1.00 15.22 O ATOM 0 H ASP A 7 -6.310 -14.113 -11.587 1.00 41.01 H new ATOM 0 HA ASP A 7 -6.108 -16.749 -10.335 1.00 12.43 H new ATOM 0 HB2 ASP A 7 -5.739 -15.434 -13.002 1.00 41.12 H new ATOM 0 HB3 ASP A 7 -4.654 -16.770 -12.669 1.00 41.12 H new ATOM 84 N THR A 8 -3.897 -14.784 -9.661 1.00 35.21 N ATOM 85 CA THR A 8 -2.693 -14.533 -8.883 1.00 41.21 C ATOM 86 C THR A 8 -2.562 -15.512 -7.701 1.00 40.45 C ATOM 87 O THR A 8 -3.558 -16.119 -7.286 1.00 25.31 O ATOM 88 CB THR A 8 -2.720 -13.068 -8.385 1.00 34.40 C ATOM 89 OG1 THR A 8 -4.045 -12.588 -8.195 1.00 40.25 O ATOM 90 CG2 THR A 8 -2.028 -12.116 -9.357 1.00 12.33 C ATOM 0 H THR A 8 -4.523 -13.978 -9.660 1.00 35.21 H new ATOM 0 HA THR A 8 -1.822 -14.692 -9.519 1.00 41.21 H new ATOM 0 HB THR A 8 -2.188 -13.085 -7.434 1.00 34.40 H new ATOM 0 HG1 THR A 8 -4.197 -11.811 -8.772 1.00 40.25 H new ATOM 0 HG21 THR A 8 -2.072 -11.100 -8.965 1.00 12.33 H new ATOM 0 HG22 THR A 8 -0.986 -12.413 -9.478 1.00 12.33 H new ATOM 0 HG23 THR A 8 -2.531 -12.154 -10.323 1.00 12.33 H new ATOM 98 N PRO A 9 -1.353 -15.633 -7.121 1.00 32.42 N ATOM 99 CA PRO A 9 -1.110 -16.386 -5.895 1.00 42.23 C ATOM 100 C PRO A 9 -1.841 -15.761 -4.690 1.00 43.41 C ATOM 101 O PRO A 9 -2.423 -14.673 -4.761 1.00 12.24 O ATOM 102 CB PRO A 9 0.421 -16.441 -5.754 1.00 75.55 C ATOM 103 CG PRO A 9 0.937 -15.252 -6.556 1.00 31.42 C ATOM 104 CD PRO A 9 -0.117 -15.054 -7.632 1.00 52.03 C ATOM 0 HA PRO A 9 -1.515 -17.397 -5.933 1.00 42.23 H new ATOM 0 HB2 PRO A 9 0.723 -16.373 -4.709 1.00 75.55 H new ATOM 0 HB3 PRO A 9 0.819 -17.379 -6.140 1.00 75.55 H new ATOM 0 HG2 PRO A 9 1.043 -14.365 -5.932 1.00 31.42 H new ATOM 0 HG3 PRO A 9 1.916 -15.456 -6.989 1.00 31.42 H new ATOM 0 HD2 PRO A 9 -0.249 -13.995 -7.854 1.00 52.03 H new ATOM 0 HD3 PRO A 9 0.183 -15.540 -8.561 1.00 52.03 H new ATOM 109 N LYS A 10 -1.865 -16.480 -3.568 1.00 22.41 N ATOM 110 CA LYS A 10 -2.401 -16.094 -2.265 1.00 43.05 C ATOM 111 C LYS A 10 -1.225 -15.910 -1.307 1.00 34.52 C ATOM 112 O LYS A 10 -0.335 -16.769 -1.272 1.00 13.40 O ATOM 113 CB LYS A 10 -3.348 -17.185 -1.739 1.00 21.23 C ATOM 114 CG LYS A 10 -4.825 -16.974 -2.108 1.00 44.42 C ATOM 115 CD LYS A 10 -5.346 -17.721 -3.342 1.00 45.41 C ATOM 116 CE LYS A 10 -4.767 -17.164 -4.644 1.00 34.53 C ATOM 117 NZ LYS A 10 -5.534 -17.557 -5.841 1.00 73.34 N ATOM 0 H LYS A 10 -1.478 -17.424 -3.546 1.00 22.41 H new ATOM 0 HA LYS A 10 -2.967 -15.166 -2.349 1.00 43.05 H new ATOM 0 HB2 LYS A 10 -3.023 -18.150 -2.128 1.00 21.23 H new ATOM 0 HB3 LYS A 10 -3.260 -17.233 -0.654 1.00 21.23 H new ATOM 0 HG2 LYS A 10 -5.433 -17.267 -1.252 1.00 44.42 H new ATOM 0 HG3 LYS A 10 -4.987 -15.907 -2.264 1.00 44.42 H new ATOM 0 HD2 LYS A 10 -5.094 -18.778 -3.258 1.00 45.41 H new ATOM 0 HD3 LYS A 10 -6.434 -17.654 -3.372 1.00 45.41 H new ATOM 0 HE2 LYS A 10 -4.735 -16.076 -4.583 1.00 34.53 H new ATOM 0 HE3 LYS A 10 -3.738 -17.507 -4.752 1.00 34.53 H new ATOM 0 HZ1 LYS A 10 -5.071 -17.176 -6.691 1.00 73.34 H new ATOM 0 HZ2 LYS A 10 -5.573 -18.594 -5.903 1.00 73.34 H new ATOM 0 HZ3 LYS A 10 -6.500 -17.178 -5.774 1.00 73.34 H new ATOM 127 N VAL A 11 -1.192 -14.776 -0.602 1.00 31.42 N ATOM 128 CA VAL A 11 -0.113 -14.418 0.319 1.00 22.53 C ATOM 129 C VAL A 11 -0.060 -15.462 1.432 1.00 53.34 C ATOM 130 O VAL A 11 -1.097 -15.986 1.843 1.00 2.30 O ATOM 131 CB VAL A 11 -0.337 -12.984 0.855 1.00 61.31 C ATOM 132 CG1 VAL A 11 0.593 -12.573 2.005 1.00 54.22 C ATOM 133 CG2 VAL A 11 -0.148 -11.964 -0.278 1.00 2.02 C ATOM 0 H VAL A 11 -1.927 -14.070 -0.657 1.00 31.42 H new ATOM 0 HA VAL A 11 0.852 -14.416 -0.188 1.00 22.53 H new ATOM 0 HB VAL A 11 -1.355 -12.990 1.245 1.00 61.31 H new ATOM 0 HG11 VAL A 11 0.361 -11.554 2.314 1.00 54.22 H new ATOM 0 HG12 VAL A 11 0.450 -13.249 2.848 1.00 54.22 H new ATOM 0 HG13 VAL A 11 1.629 -12.624 1.671 1.00 54.22 H new ATOM 0 HG21 VAL A 11 -0.308 -10.957 0.108 1.00 2.02 H new ATOM 0 HG22 VAL A 11 0.864 -12.044 -0.675 1.00 2.02 H new ATOM 0 HG23 VAL A 11 -0.866 -12.166 -1.073 1.00 2.02 H new ATOM 143 N THR A 12 1.140 -15.752 1.926 1.00 52.42 N ATOM 144 CA THR A 12 1.392 -16.751 2.960 1.00 71.11 C ATOM 145 C THR A 12 2.288 -16.226 4.083 1.00 34.13 C ATOM 146 O THR A 12 2.453 -16.905 5.098 1.00 32.13 O ATOM 147 CB THR A 12 1.943 -18.026 2.302 1.00 10.20 C ATOM 148 OG1 THR A 12 2.870 -17.733 1.273 1.00 74.22 O ATOM 149 CG2 THR A 12 0.793 -18.790 1.655 1.00 25.23 C ATOM 0 H THR A 12 1.989 -15.285 1.609 1.00 52.42 H new ATOM 0 HA THR A 12 0.450 -16.993 3.451 1.00 71.11 H new ATOM 0 HB THR A 12 2.437 -18.604 3.083 1.00 10.20 H new ATOM 0 HG1 THR A 12 3.199 -18.569 0.881 1.00 74.22 H new ATOM 0 HG21 THR A 12 1.176 -19.696 1.186 1.00 25.23 H new ATOM 0 HG22 THR A 12 0.060 -19.058 2.416 1.00 25.23 H new ATOM 0 HG23 THR A 12 0.319 -18.163 0.900 1.00 25.23 H new ATOM 157 N GLY A 13 2.822 -15.013 3.954 1.00 4.41 N ATOM 158 CA GLY A 13 3.546 -14.356 5.026 1.00 62.43 C ATOM 159 C GLY A 13 3.578 -12.854 4.827 1.00 63.22 C ATOM 160 O GLY A 13 3.524 -12.387 3.686 1.00 50.33 O ATOM 0 H GLY A 13 2.761 -14.461 3.098 1.00 4.41 H new ATOM 0 HA2 GLY A 13 3.076 -14.589 5.982 1.00 62.43 H new ATOM 0 HA3 GLY A 13 4.565 -14.741 5.070 1.00 62.43 H new ATOM 164 N LEU A 14 3.645 -12.118 5.940 1.00 45.22 N ATOM 165 CA LEU A 14 3.776 -10.667 6.000 1.00 30.41 C ATOM 166 C LEU A 14 4.682 -10.324 7.184 1.00 10.33 C ATOM 167 O LEU A 14 4.530 -10.937 8.245 1.00 45.34 O ATOM 168 CB LEU A 14 2.417 -9.960 6.192 1.00 5.20 C ATOM 169 CG LEU A 14 1.405 -10.176 5.047 1.00 64.53 C ATOM 170 CD1 LEU A 14 0.407 -11.293 5.393 1.00 73.53 C ATOM 171 CD2 LEU A 14 0.616 -8.900 4.746 1.00 32.42 C ATOM 0 H LEU A 14 3.607 -12.543 6.867 1.00 45.22 H new ATOM 0 HA LEU A 14 4.193 -10.322 5.054 1.00 30.41 H new ATOM 0 HB2 LEU A 14 1.970 -10.309 7.123 1.00 5.20 H new ATOM 0 HB3 LEU A 14 2.593 -8.890 6.305 1.00 5.20 H new ATOM 0 HG LEU A 14 1.986 -10.458 4.169 1.00 64.53 H new ATOM 0 HD11 LEU A 14 -0.294 -11.423 4.568 1.00 73.53 H new ATOM 0 HD12 LEU A 14 0.947 -12.225 5.560 1.00 73.53 H new ATOM 0 HD13 LEU A 14 -0.141 -11.024 6.296 1.00 73.53 H new ATOM 0 HD21 LEU A 14 -0.087 -9.090 3.935 1.00 32.42 H new ATOM 0 HD22 LEU A 14 0.068 -8.593 5.637 1.00 32.42 H new ATOM 0 HD23 LEU A 14 1.304 -8.107 4.452 1.00 32.42 H new ATOM 182 N LYS A 15 5.557 -9.321 7.050 1.00 71.12 N ATOM 183 CA LYS A 15 6.473 -8.876 8.109 1.00 73.53 C ATOM 184 C LYS A 15 6.609 -7.362 8.008 1.00 63.53 C ATOM 185 O LYS A 15 7.009 -6.860 6.961 1.00 62.12 O ATOM 186 CB LYS A 15 7.846 -9.581 7.967 1.00 43.45 C ATOM 187 CG LYS A 15 8.253 -10.432 9.186 1.00 1.34 C ATOM 188 CD LYS A 15 9.032 -9.700 10.296 1.00 70.12 C ATOM 189 CE LYS A 15 8.248 -8.569 10.966 1.00 21.23 C ATOM 190 NZ LYS A 15 9.022 -7.874 12.020 1.00 30.50 N ATOM 0 H LYS A 15 5.651 -8.785 6.187 1.00 71.12 H new ATOM 0 HA LYS A 15 6.080 -9.140 9.091 1.00 73.53 H new ATOM 0 HB2 LYS A 15 7.823 -10.220 7.084 1.00 43.45 H new ATOM 0 HB3 LYS A 15 8.613 -8.826 7.794 1.00 43.45 H new ATOM 0 HG2 LYS A 15 7.350 -10.857 9.624 1.00 1.34 H new ATOM 0 HG3 LYS A 15 8.860 -11.266 8.834 1.00 1.34 H new ATOM 0 HD2 LYS A 15 9.327 -10.423 11.056 1.00 70.12 H new ATOM 0 HD3 LYS A 15 9.949 -9.291 9.872 1.00 70.12 H new ATOM 0 HE2 LYS A 15 7.945 -7.846 10.209 1.00 21.23 H new ATOM 0 HE3 LYS A 15 7.335 -8.975 11.402 1.00 21.23 H new ATOM 0 HZ1 LYS A 15 8.544 -7.991 12.936 1.00 30.50 H new ATOM 0 HZ2 LYS A 15 9.978 -8.280 12.074 1.00 30.50 H new ATOM 0 HZ3 LYS A 15 9.088 -6.862 11.791 1.00 30.50 H new ATOM 200 N LEU A 16 6.257 -6.611 9.055 1.00 64.13 N ATOM 201 CA LEU A 16 6.443 -5.158 9.037 1.00 42.34 C ATOM 202 C LEU A 16 7.826 -4.744 9.510 1.00 5.44 C ATOM 203 O LEU A 16 8.461 -5.445 10.305 1.00 11.44 O ATOM 204 CB LEU A 16 5.384 -4.439 9.892 1.00 64.52 C ATOM 205 CG LEU A 16 4.604 -3.456 9.010 1.00 2.43 C ATOM 206 CD1 LEU A 16 3.635 -4.254 8.137 1.00 52.01 C ATOM 207 CD2 LEU A 16 3.927 -2.390 9.864 1.00 52.15 C ATOM 0 H LEU A 16 5.847 -6.978 9.914 1.00 64.13 H new ATOM 0 HA LEU A 16 6.330 -4.859 7.995 1.00 42.34 H new ATOM 0 HB2 LEU A 16 4.704 -5.166 10.336 1.00 64.52 H new ATOM 0 HB3 LEU A 16 5.863 -3.907 10.714 1.00 64.52 H new ATOM 0 HG LEU A 16 5.274 -2.910 8.346 1.00 2.43 H new ATOM 0 HD11 LEU A 16 3.071 -3.571 7.502 1.00 52.01 H new ATOM 0 HD12 LEU A 16 4.196 -4.950 7.513 1.00 52.01 H new ATOM 0 HD13 LEU A 16 2.947 -4.811 8.773 1.00 52.01 H new ATOM 0 HD21 LEU A 16 3.379 -1.702 9.220 1.00 52.15 H new ATOM 0 HD22 LEU A 16 3.235 -2.866 10.559 1.00 52.15 H new ATOM 0 HD23 LEU A 16 4.682 -1.839 10.424 1.00 52.15 H new ATOM 218 N LYS A 17 8.242 -3.536 9.119 1.00 52.03 N ATOM 219 CA LYS A 17 9.503 -2.911 9.510 1.00 14.43 C ATOM 220 C LYS A 17 9.185 -1.516 10.018 1.00 24.41 C ATOM 221 O LYS A 17 9.198 -0.556 9.253 1.00 63.55 O ATOM 222 CB LYS A 17 10.505 -2.850 8.345 1.00 34.13 C ATOM 223 CG LYS A 17 10.697 -4.191 7.622 1.00 3.12 C ATOM 224 CD LYS A 17 10.437 -4.087 6.118 1.00 35.21 C ATOM 225 CE LYS A 17 11.654 -4.165 5.178 1.00 0.31 C ATOM 226 NZ LYS A 17 12.670 -5.191 5.514 1.00 1.44 N ATOM 0 H LYS A 17 7.687 -2.947 8.498 1.00 52.03 H new ATOM 0 HA LYS A 17 9.978 -3.509 10.288 1.00 14.43 H new ATOM 0 HB2 LYS A 17 10.166 -2.105 7.625 1.00 34.13 H new ATOM 0 HB3 LYS A 17 11.469 -2.511 8.724 1.00 34.13 H new ATOM 0 HG2 LYS A 17 11.714 -4.548 7.788 1.00 3.12 H new ATOM 0 HG3 LYS A 17 10.025 -4.932 8.053 1.00 3.12 H new ATOM 0 HD2 LYS A 17 9.746 -4.883 5.840 1.00 35.21 H new ATOM 0 HD3 LYS A 17 9.927 -3.142 5.930 1.00 35.21 H new ATOM 0 HE2 LYS A 17 11.295 -4.355 4.166 1.00 0.31 H new ATOM 0 HE3 LYS A 17 12.141 -3.190 5.165 1.00 0.31 H new ATOM 0 HZ1 LYS A 17 13.622 -4.801 5.359 1.00 1.44 H new ATOM 0 HZ2 LYS A 17 12.568 -5.467 6.511 1.00 1.44 H new ATOM 0 HZ3 LYS A 17 12.535 -6.025 4.908 1.00 1.44 H new ATOM 236 N ARG A 18 8.921 -1.373 11.315 1.00 3.34 N ATOM 237 CA ARG A 18 8.720 -0.052 11.917 1.00 12.44 C ATOM 238 C ARG A 18 9.929 0.858 11.708 1.00 74.14 C ATOM 239 O ARG A 18 9.733 2.061 11.603 1.00 22.10 O ATOM 240 CB ARG A 18 8.332 -0.136 13.405 1.00 65.43 C ATOM 241 CG ARG A 18 9.248 -1.035 14.258 1.00 65.42 C ATOM 242 CD ARG A 18 9.824 -0.360 15.514 1.00 13.43 C ATOM 243 NE ARG A 18 9.471 -1.045 16.771 1.00 53.23 N ATOM 244 CZ ARG A 18 9.975 -2.191 17.250 1.00 1.44 C ATOM 245 NH1 ARG A 18 10.686 -3.023 16.499 1.00 65.51 N ATOM 246 NH2 ARG A 18 9.773 -2.538 18.514 1.00 22.24 N ATOM 0 H ARG A 18 8.841 -2.151 11.969 1.00 3.34 H new ATOM 0 HA ARG A 18 7.876 0.398 11.395 1.00 12.44 H new ATOM 0 HB2 ARG A 18 8.338 0.870 13.826 1.00 65.43 H new ATOM 0 HB3 ARG A 18 7.310 -0.507 13.480 1.00 65.43 H new ATOM 0 HG2 ARG A 18 8.686 -1.918 14.562 1.00 65.42 H new ATOM 0 HG3 ARG A 18 10.074 -1.381 13.637 1.00 65.42 H new ATOM 0 HD2 ARG A 18 10.910 -0.317 15.427 1.00 13.43 H new ATOM 0 HD3 ARG A 18 9.467 0.669 15.559 1.00 13.43 H new ATOM 0 HE ARG A 18 8.759 -0.593 17.344 1.00 53.23 H new ATOM 0 HH11 ARG A 18 10.866 -2.799 15.520 1.00 65.51 H new ATOM 0 HH12 ARG A 18 11.053 -3.886 16.901 1.00 65.51 H new ATOM 0 HH21 ARG A 18 9.231 -1.931 19.129 1.00 22.24 H new ATOM 0 HH22 ARG A 18 10.160 -3.412 18.871 1.00 22.24 H new ATOM 257 N LYS A 19 11.140 0.300 11.585 1.00 21.31 N ATOM 258 CA LYS A 19 12.363 1.031 11.258 1.00 24.33 C ATOM 259 C LYS A 19 12.158 1.892 10.017 1.00 71.22 C ATOM 260 O LYS A 19 12.021 3.107 10.113 1.00 50.35 O ATOM 261 CB LYS A 19 13.541 0.055 11.098 1.00 4.04 C ATOM 262 CG LYS A 19 13.963 -0.553 12.443 1.00 24.31 C ATOM 263 CD LYS A 19 15.127 -1.540 12.287 1.00 4.03 C ATOM 264 CE LYS A 19 14.699 -2.878 11.665 1.00 33.20 C ATOM 265 NZ LYS A 19 15.870 -3.677 11.243 1.00 44.04 N ATOM 0 H LYS A 19 11.296 -0.700 11.714 1.00 21.31 H new ATOM 0 HA LYS A 19 12.606 1.705 12.080 1.00 24.33 H new ATOM 0 HB2 LYS A 19 13.261 -0.743 10.410 1.00 4.04 H new ATOM 0 HB3 LYS A 19 14.388 0.577 10.653 1.00 4.04 H new ATOM 0 HG2 LYS A 19 14.253 0.245 13.127 1.00 24.31 H new ATOM 0 HG3 LYS A 19 13.112 -1.064 12.893 1.00 24.31 H new ATOM 0 HD2 LYS A 19 15.900 -1.087 11.666 1.00 4.03 H new ATOM 0 HD3 LYS A 19 15.572 -1.726 13.264 1.00 4.03 H new ATOM 0 HE2 LYS A 19 14.111 -3.445 12.387 1.00 33.20 H new ATOM 0 HE3 LYS A 19 14.055 -2.692 10.806 1.00 33.20 H new ATOM 0 HZ1 LYS A 19 15.547 -4.574 10.827 1.00 44.04 H new ATOM 0 HZ2 LYS A 19 16.417 -3.145 10.536 1.00 44.04 H new ATOM 0 HZ3 LYS A 19 16.471 -3.875 12.068 1.00 44.04 H new ATOM 275 N SER A 20 12.062 1.255 8.856 1.00 33.11 N ATOM 276 CA SER A 20 12.084 1.928 7.557 1.00 34.44 C ATOM 277 C SER A 20 10.668 2.077 7.001 1.00 63.23 C ATOM 278 O SER A 20 10.497 2.254 5.799 1.00 3.33 O ATOM 279 CB SER A 20 12.990 1.147 6.599 1.00 13.31 C ATOM 280 OG SER A 20 14.257 0.908 7.193 1.00 0.33 O ATOM 0 H SER A 20 11.965 0.242 8.786 1.00 33.11 H new ATOM 0 HA SER A 20 12.488 2.934 7.674 1.00 34.44 H new ATOM 0 HB2 SER A 20 12.520 0.199 6.337 1.00 13.31 H new ATOM 0 HB3 SER A 20 13.117 1.706 5.672 1.00 13.31 H new ATOM 0 HG SER A 20 14.822 0.407 6.568 1.00 0.33 H new ATOM 285 N ARG A 21 9.662 1.913 7.871 1.00 61.51 N ATOM 286 CA ARG A 21 8.235 2.058 7.608 1.00 44.14 C ATOM 287 C ARG A 21 7.827 1.367 6.305 1.00 23.53 C ATOM 288 O ARG A 21 7.237 1.967 5.405 1.00 43.25 O ATOM 289 CB ARG A 21 7.859 3.530 7.768 1.00 65.31 C ATOM 290 CG ARG A 21 7.592 3.817 9.260 1.00 44.33 C ATOM 291 CD ARG A 21 8.258 5.065 9.820 1.00 31.54 C ATOM 292 NE ARG A 21 9.731 5.013 9.757 1.00 53.01 N ATOM 293 CZ ARG A 21 10.526 5.870 9.104 1.00 44.23 C ATOM 294 NH1 ARG A 21 10.035 6.847 8.356 1.00 73.53 N ATOM 295 NH2 ARG A 21 11.843 5.741 9.201 1.00 74.33 N ATOM 0 H ARG A 21 9.843 1.658 8.842 1.00 61.51 H new ATOM 0 HA ARG A 21 7.632 1.524 8.342 1.00 44.14 H new ATOM 0 HB2 ARG A 21 8.663 4.167 7.399 1.00 65.31 H new ATOM 0 HB3 ARG A 21 6.973 3.760 7.175 1.00 65.31 H new ATOM 0 HG2 ARG A 21 6.516 3.904 9.408 1.00 44.33 H new ATOM 0 HG3 ARG A 21 7.925 2.957 9.842 1.00 44.33 H new ATOM 0 HD2 ARG A 21 7.907 5.936 9.267 1.00 31.54 H new ATOM 0 HD3 ARG A 21 7.949 5.200 10.857 1.00 31.54 H new ATOM 0 HE ARG A 21 10.187 4.251 10.259 1.00 53.01 H new ATOM 0 HH11 ARG A 21 9.026 6.962 8.266 1.00 73.53 H new ATOM 0 HH12 ARG A 21 10.666 7.484 7.871 1.00 73.53 H new ATOM 0 HH21 ARG A 21 12.242 4.994 9.769 1.00 74.33 H new ATOM 0 HH22 ARG A 21 12.457 6.389 8.707 1.00 74.33 H new ATOM 306 N GLN A 22 8.121 0.079 6.229 1.00 11.34 N ATOM 307 CA GLN A 22 7.865 -0.783 5.081 1.00 0.11 C ATOM 308 C GLN A 22 7.182 -2.061 5.574 1.00 10.11 C ATOM 309 O GLN A 22 7.166 -2.346 6.778 1.00 71.31 O ATOM 310 CB GLN A 22 9.197 -1.133 4.391 1.00 74.24 C ATOM 311 CG GLN A 22 9.703 -0.212 3.277 1.00 14.20 C ATOM 312 CD GLN A 22 11.028 -0.767 2.755 1.00 31.21 C ATOM 313 OE1 GLN A 22 11.141 -1.302 1.652 1.00 14.23 O ATOM 314 NE2 GLN A 22 12.039 -0.756 3.601 1.00 2.04 N ATOM 0 H GLN A 22 8.565 -0.419 7.000 1.00 11.34 H new ATOM 0 HA GLN A 22 7.221 -0.273 4.364 1.00 0.11 H new ATOM 0 HB2 GLN A 22 9.968 -1.178 5.160 1.00 74.24 H new ATOM 0 HB3 GLN A 22 9.102 -2.136 3.975 1.00 74.24 H new ATOM 0 HG2 GLN A 22 8.972 -0.155 2.471 1.00 14.20 H new ATOM 0 HG3 GLN A 22 9.839 0.801 3.655 1.00 14.20 H new ATOM 0 HE21 GLN A 22 11.936 -0.310 4.513 1.00 2.04 H new ATOM 0 HE22 GLN A 22 12.924 -1.193 3.344 1.00 2.04 H new ATOM 321 N LEU A 23 6.687 -2.866 4.639 1.00 64.53 N ATOM 322 CA LEU A 23 6.006 -4.139 4.819 1.00 54.11 C ATOM 323 C LEU A 23 6.574 -5.098 3.796 1.00 11.21 C ATOM 324 O LEU A 23 6.860 -4.679 2.684 1.00 0.03 O ATOM 325 CB LEU A 23 4.489 -3.900 4.612 1.00 13.01 C ATOM 326 CG LEU A 23 3.514 -5.088 4.491 1.00 51.11 C ATOM 327 CD1 LEU A 23 3.432 -5.518 3.043 1.00 61.21 C ATOM 328 CD2 LEU A 23 3.675 -6.297 5.421 1.00 73.35 C ATOM 0 H LEU A 23 6.760 -2.621 3.652 1.00 64.53 H new ATOM 0 HA LEU A 23 6.150 -4.560 5.814 1.00 54.11 H new ATOM 0 HB2 LEU A 23 4.145 -3.286 5.444 1.00 13.01 H new ATOM 0 HB3 LEU A 23 4.379 -3.302 3.708 1.00 13.01 H new ATOM 0 HG LEU A 23 2.577 -4.674 4.864 1.00 51.11 H new ATOM 0 HD11 LEU A 23 2.744 -6.358 2.951 1.00 61.21 H new ATOM 0 HD12 LEU A 23 3.073 -4.687 2.436 1.00 61.21 H new ATOM 0 HD13 LEU A 23 4.421 -5.819 2.696 1.00 61.21 H new ATOM 0 HD21 LEU A 23 2.905 -7.035 5.195 1.00 73.35 H new ATOM 0 HD22 LEU A 23 4.659 -6.742 5.272 1.00 73.35 H new ATOM 0 HD23 LEU A 23 3.576 -5.974 6.457 1.00 73.35 H new ATOM 339 N GLU A 24 6.749 -6.353 4.188 1.00 65.41 N ATOM 340 CA GLU A 24 7.263 -7.451 3.367 1.00 72.14 C ATOM 341 C GLU A 24 6.116 -8.422 3.165 1.00 3.43 C ATOM 342 O GLU A 24 5.338 -8.628 4.098 1.00 65.41 O ATOM 343 CB GLU A 24 8.438 -8.187 4.047 1.00 42.14 C ATOM 344 CG GLU A 24 9.509 -7.195 4.475 1.00 22.23 C ATOM 345 CD GLU A 24 10.728 -7.763 5.209 1.00 2.24 C ATOM 346 OE1 GLU A 24 10.651 -8.085 6.423 1.00 32.43 O ATOM 347 OE2 GLU A 24 11.845 -7.663 4.665 1.00 71.43 O ATOM 0 H GLU A 24 6.526 -6.653 5.137 1.00 65.41 H new ATOM 0 HA GLU A 24 7.639 -7.052 2.425 1.00 72.14 H new ATOM 0 HB2 GLU A 24 8.076 -8.738 4.915 1.00 42.14 H new ATOM 0 HB3 GLU A 24 8.864 -8.918 3.360 1.00 42.14 H new ATOM 0 HG2 GLU A 24 9.862 -6.672 3.586 1.00 22.23 H new ATOM 0 HG3 GLU A 24 9.043 -6.449 5.119 1.00 22.23 H new ATOM 352 N ILE A 25 6.033 -9.029 1.987 1.00 3.02 N ATOM 353 CA ILE A 25 4.997 -9.974 1.575 1.00 25.10 C ATOM 354 C ILE A 25 5.721 -11.215 1.068 1.00 31.42 C ATOM 355 O ILE A 25 6.814 -11.095 0.516 1.00 13.13 O ATOM 356 CB ILE A 25 4.103 -9.306 0.495 1.00 44.23 C ATOM 357 CG1 ILE A 25 3.203 -8.264 1.195 1.00 31.32 C ATOM 358 CG2 ILE A 25 3.212 -10.296 -0.276 1.00 73.42 C ATOM 359 CD1 ILE A 25 2.605 -7.201 0.266 1.00 33.52 C ATOM 0 H ILE A 25 6.723 -8.868 1.253 1.00 3.02 H new ATOM 0 HA ILE A 25 4.332 -10.260 2.390 1.00 25.10 H new ATOM 0 HB ILE A 25 4.768 -8.853 -0.240 1.00 44.23 H new ATOM 0 HG12 ILE A 25 2.389 -8.787 1.697 1.00 31.32 H new ATOM 0 HG13 ILE A 25 3.785 -7.764 1.969 1.00 31.32 H new ATOM 0 HG21 ILE A 25 2.618 -9.754 -1.012 1.00 73.42 H new ATOM 0 HG22 ILE A 25 3.838 -11.029 -0.784 1.00 73.42 H new ATOM 0 HG23 ILE A 25 2.548 -10.807 0.421 1.00 73.42 H new ATOM 0 HD11 ILE A 25 1.989 -6.515 0.847 1.00 33.52 H new ATOM 0 HD12 ILE A 25 3.409 -6.646 -0.217 1.00 33.52 H new ATOM 0 HD13 ILE A 25 1.991 -7.685 -0.493 1.00 33.52 H new ATOM 370 N SER A 26 5.106 -12.388 1.223 1.00 10.40 N ATOM 371 CA SER A 26 5.552 -13.629 0.618 1.00 32.51 C ATOM 372 C SER A 26 4.342 -14.370 0.063 1.00 42.14 C ATOM 373 O SER A 26 3.232 -14.288 0.601 1.00 42.41 O ATOM 374 CB SER A 26 6.321 -14.449 1.657 1.00 61.45 C ATOM 375 OG SER A 26 7.037 -15.518 1.078 1.00 42.23 O ATOM 0 H SER A 26 4.264 -12.497 1.788 1.00 10.40 H new ATOM 0 HA SER A 26 6.232 -13.440 -0.212 1.00 32.51 H new ATOM 0 HB2 SER A 26 7.014 -13.797 2.189 1.00 61.45 H new ATOM 0 HB3 SER A 26 5.622 -14.842 2.395 1.00 61.45 H new ATOM 0 HG SER A 26 7.513 -16.011 1.779 1.00 42.23 H new ATOM 380 N PHE A 27 4.569 -15.103 -1.017 1.00 62.42 N ATOM 381 CA PHE A 27 3.563 -15.828 -1.778 1.00 42.25 C ATOM 382 C PHE A 27 3.945 -17.302 -1.867 1.00 71.33 C ATOM 383 O PHE A 27 5.121 -17.663 -1.897 1.00 14.31 O ATOM 384 CB PHE A 27 3.438 -15.245 -3.193 1.00 15.42 C ATOM 385 CG PHE A 27 2.482 -14.091 -3.391 1.00 4.41 C ATOM 386 CD1 PHE A 27 1.132 -14.272 -3.064 1.00 73.23 C ATOM 387 CD2 PHE A 27 2.875 -12.925 -4.064 1.00 74.14 C ATOM 388 CE1 PHE A 27 0.173 -13.298 -3.373 1.00 52.01 C ATOM 389 CE2 PHE A 27 1.908 -11.956 -4.393 1.00 62.21 C ATOM 390 CZ PHE A 27 0.563 -12.128 -4.038 1.00 13.41 C ATOM 0 H PHE A 27 5.506 -15.213 -1.405 1.00 62.42 H new ATOM 0 HA PHE A 27 2.604 -15.730 -1.269 1.00 42.25 H new ATOM 0 HB2 PHE A 27 4.428 -14.920 -3.511 1.00 15.42 H new ATOM 0 HB3 PHE A 27 3.136 -16.050 -3.863 1.00 15.42 H new ATOM 0 HD1 PHE A 27 0.825 -15.179 -2.565 1.00 73.23 H new ATOM 0 HD2 PHE A 27 3.911 -12.772 -4.328 1.00 74.14 H new ATOM 0 HE1 PHE A 27 -0.861 -13.448 -3.100 1.00 52.01 H new ATOM 0 HE2 PHE A 27 2.207 -11.066 -4.927 1.00 62.21 H new ATOM 0 HZ PHE A 27 -0.165 -11.366 -4.275 1.00 13.41 H new ATOM 399 N ASP A 28 2.931 -18.170 -1.981 1.00 10.42 N ATOM 400 CA ASP A 28 3.099 -19.633 -1.951 1.00 61.24 C ATOM 401 C ASP A 28 3.697 -20.191 -3.260 1.00 1.34 C ATOM 402 O ASP A 28 3.668 -21.398 -3.507 1.00 31.21 O ATOM 403 CB ASP A 28 1.748 -20.295 -1.640 1.00 61.54 C ATOM 404 CG ASP A 28 1.893 -21.635 -0.922 1.00 2.31 C ATOM 405 OD1 ASP A 28 2.257 -21.643 0.269 1.00 23.34 O ATOM 406 OD2 ASP A 28 1.556 -22.700 -1.488 1.00 1.23 O ATOM 0 H ASP A 28 1.961 -17.876 -2.098 1.00 10.42 H new ATOM 0 HA ASP A 28 3.815 -19.870 -1.164 1.00 61.24 H new ATOM 0 HB2 ASP A 28 1.152 -19.621 -1.024 1.00 61.54 H new ATOM 0 HB3 ASP A 28 1.200 -20.445 -2.570 1.00 61.54 H new ATOM 410 N ASN A 29 4.204 -19.315 -4.128 1.00 71.51 N ATOM 411 CA ASN A 29 4.766 -19.581 -5.452 1.00 32.41 C ATOM 412 C ASN A 29 6.261 -19.249 -5.523 1.00 4.10 C ATOM 413 O ASN A 29 6.817 -19.260 -6.621 1.00 3.01 O ATOM 414 CB ASN A 29 4.001 -18.769 -6.512 1.00 12.30 C ATOM 415 CG ASN A 29 4.381 -17.292 -6.467 1.00 64.43 C ATOM 416 OD1 ASN A 29 4.712 -16.769 -5.416 1.00 22.53 O ATOM 417 ND2 ASN A 29 4.310 -16.567 -7.566 1.00 22.13 N ATOM 0 H ASN A 29 4.234 -18.320 -3.905 1.00 71.51 H new ATOM 0 HA ASN A 29 4.658 -20.648 -5.648 1.00 32.41 H new ATOM 0 HB2 ASN A 29 4.214 -19.170 -7.503 1.00 12.30 H new ATOM 0 HB3 ASN A 29 2.929 -18.875 -6.349 1.00 12.30 H new ATOM 0 HD21 ASN A 29 4.532 -15.572 -7.536 1.00 22.13 H new ATOM 0 HD22 ASN A 29 4.034 -17.001 -8.447 1.00 22.13 H new ATOM 423 N GLY A 30 6.909 -18.928 -4.398 1.00 62.33 N ATOM 424 CA GLY A 30 8.318 -18.558 -4.394 1.00 20.12 C ATOM 425 C GLY A 30 8.520 -17.132 -4.903 1.00 21.52 C ATOM 426 O GLY A 30 9.378 -16.898 -5.751 1.00 21.44 O ATOM 0 H GLY A 30 6.472 -18.919 -3.476 1.00 62.33 H new ATOM 0 HA2 GLY A 30 8.716 -18.645 -3.383 1.00 20.12 H new ATOM 0 HA3 GLY A 30 8.880 -19.252 -5.019 1.00 20.12 H new ATOM 430 N GLN A 31 7.733 -16.180 -4.395 1.00 60.45 N ATOM 431 CA GLN A 31 7.956 -14.752 -4.563 1.00 44.43 C ATOM 432 C GLN A 31 7.840 -14.067 -3.211 1.00 2.33 C ATOM 433 O GLN A 31 7.057 -14.495 -2.358 1.00 74.54 O ATOM 434 CB GLN A 31 6.921 -14.150 -5.528 1.00 34.43 C ATOM 435 CG GLN A 31 7.374 -14.251 -6.983 1.00 63.33 C ATOM 436 CD GLN A 31 8.237 -13.044 -7.344 1.00 55.13 C ATOM 437 OE1 GLN A 31 9.350 -12.883 -6.855 1.00 54.04 O ATOM 438 NE2 GLN A 31 7.722 -12.133 -8.153 1.00 64.54 N ATOM 0 H GLN A 31 6.903 -16.393 -3.842 1.00 60.45 H new ATOM 0 HA GLN A 31 8.952 -14.598 -4.979 1.00 44.43 H new ATOM 0 HB2 GLN A 31 5.969 -14.666 -5.407 1.00 34.43 H new ATOM 0 HB3 GLN A 31 6.751 -13.104 -5.272 1.00 34.43 H new ATOM 0 HG2 GLN A 31 7.939 -15.171 -7.134 1.00 63.33 H new ATOM 0 HG3 GLN A 31 6.506 -14.298 -7.641 1.00 63.33 H new ATOM 0 HE21 GLN A 31 6.796 -12.274 -8.556 1.00 64.54 H new ATOM 0 HE22 GLN A 31 8.251 -11.290 -8.374 1.00 64.54 H new ATOM 445 N GLN A 32 8.554 -12.953 -3.083 1.00 35.51 N ATOM 446 CA GLN A 32 8.474 -11.966 -2.024 1.00 52.02 C ATOM 447 C GLN A 32 8.613 -10.594 -2.664 1.00 4.20 C ATOM 448 O GLN A 32 9.078 -10.470 -3.799 1.00 41.23 O ATOM 449 CB GLN A 32 9.595 -12.177 -0.986 1.00 13.03 C ATOM 450 CG GLN A 32 9.188 -13.209 0.067 1.00 41.41 C ATOM 451 CD GLN A 32 10.373 -14.007 0.586 1.00 35.41 C ATOM 452 OE1 GLN A 32 11.227 -13.460 1.281 1.00 61.43 O ATOM 453 NE2 GLN A 32 10.450 -15.296 0.288 1.00 41.22 N ATOM 0 H GLN A 32 9.259 -12.702 -3.776 1.00 35.51 H new ATOM 0 HA GLN A 32 7.521 -12.059 -1.502 1.00 52.02 H new ATOM 0 HB2 GLN A 32 10.503 -12.507 -1.490 1.00 13.03 H new ATOM 0 HB3 GLN A 32 9.827 -11.229 -0.500 1.00 13.03 H new ATOM 0 HG2 GLN A 32 8.703 -12.701 0.900 1.00 41.41 H new ATOM 0 HG3 GLN A 32 8.454 -13.891 -0.362 1.00 41.41 H new ATOM 0 HE21 GLN A 32 9.730 -15.730 -0.290 1.00 41.22 H new ATOM 0 HE22 GLN A 32 11.229 -15.854 0.637 1.00 41.22 H new ATOM 460 N PHE A 33 8.204 -9.572 -1.922 1.00 20.30 N ATOM 461 CA PHE A 33 8.454 -8.173 -2.244 1.00 22.22 C ATOM 462 C PHE A 33 8.189 -7.304 -1.023 1.00 11.13 C ATOM 463 O PHE A 33 7.499 -7.732 -0.089 1.00 14.23 O ATOM 464 CB PHE A 33 7.585 -7.716 -3.419 1.00 64.14 C ATOM 465 CG PHE A 33 6.160 -8.215 -3.459 1.00 11.24 C ATOM 466 CD1 PHE A 33 5.144 -7.486 -2.821 1.00 34.44 C ATOM 467 CD2 PHE A 33 5.836 -9.340 -4.234 1.00 55.12 C ATOM 468 CE1 PHE A 33 3.800 -7.854 -2.990 1.00 63.51 C ATOM 469 CE2 PHE A 33 4.495 -9.713 -4.397 1.00 21.24 C ATOM 470 CZ PHE A 33 3.475 -8.973 -3.768 1.00 74.22 C ATOM 0 H PHE A 33 7.676 -9.697 -1.058 1.00 20.30 H new ATOM 0 HA PHE A 33 9.499 -8.069 -2.537 1.00 22.22 H new ATOM 0 HB2 PHE A 33 7.561 -6.626 -3.418 1.00 64.14 H new ATOM 0 HB3 PHE A 33 8.076 -8.023 -4.342 1.00 64.14 H new ATOM 0 HD1 PHE A 33 5.397 -6.640 -2.199 1.00 34.44 H new ATOM 0 HD2 PHE A 33 6.619 -9.917 -4.704 1.00 55.12 H new ATOM 0 HE1 PHE A 33 3.018 -7.276 -2.521 1.00 63.51 H new ATOM 0 HE2 PHE A 33 4.243 -10.569 -5.006 1.00 21.24 H new ATOM 0 HZ PHE A 33 2.443 -9.268 -3.885 1.00 74.22 H new ATOM 479 N THR A 34 8.656 -6.056 -1.056 1.00 42.12 N ATOM 480 CA THR A 34 8.575 -5.139 0.071 1.00 24.50 C ATOM 481 C THR A 34 8.093 -3.773 -0.415 1.00 52.11 C ATOM 482 O THR A 34 8.656 -3.223 -1.358 1.00 33.10 O ATOM 483 CB THR A 34 9.936 -5.060 0.765 1.00 0.13 C ATOM 484 OG1 THR A 34 10.431 -6.361 1.057 1.00 13.41 O ATOM 485 CG2 THR A 34 9.888 -4.244 2.051 1.00 54.24 C ATOM 0 H THR A 34 9.106 -5.653 -1.878 1.00 42.12 H new ATOM 0 HA THR A 34 7.853 -5.501 0.803 1.00 24.50 H new ATOM 0 HB THR A 34 10.606 -4.556 0.069 1.00 0.13 H new ATOM 0 HG1 THR A 34 11.303 -6.288 1.499 1.00 13.41 H new ATOM 0 HG21 THR A 34 10.879 -4.220 2.504 1.00 54.24 H new ATOM 0 HG22 THR A 34 9.567 -3.227 1.825 1.00 54.24 H new ATOM 0 HG23 THR A 34 9.183 -4.701 2.746 1.00 54.24 H new ATOM 493 N LEU A 35 7.072 -3.218 0.237 1.00 33.11 N ATOM 494 CA LEU A 35 6.440 -1.942 -0.086 1.00 24.50 C ATOM 495 C LEU A 35 6.508 -1.012 1.111 1.00 35.23 C ATOM 496 O LEU A 35 6.699 -1.464 2.242 1.00 74.32 O ATOM 497 CB LEU A 35 4.968 -2.182 -0.453 1.00 51.32 C ATOM 498 CG LEU A 35 4.824 -2.699 -1.888 1.00 64.23 C ATOM 499 CD1 LEU A 35 3.499 -3.435 -2.046 1.00 11.02 C ATOM 500 CD2 LEU A 35 4.862 -1.542 -2.882 1.00 42.13 C ATOM 0 H LEU A 35 6.643 -3.670 1.045 1.00 33.11 H new ATOM 0 HA LEU A 35 6.964 -1.487 -0.927 1.00 24.50 H new ATOM 0 HB2 LEU A 35 4.532 -2.902 0.240 1.00 51.32 H new ATOM 0 HB3 LEU A 35 4.408 -1.253 -0.342 1.00 51.32 H new ATOM 0 HG LEU A 35 5.654 -3.377 -2.089 1.00 64.23 H new ATOM 0 HD11 LEU A 35 3.405 -3.799 -3.069 1.00 11.02 H new ATOM 0 HD12 LEU A 35 3.467 -4.278 -1.356 1.00 11.02 H new ATOM 0 HD13 LEU A 35 2.676 -2.755 -1.826 1.00 11.02 H new ATOM 0 HD21 LEU A 35 4.758 -1.929 -3.896 1.00 42.13 H new ATOM 0 HD22 LEU A 35 4.043 -0.854 -2.671 1.00 42.13 H new ATOM 0 HD23 LEU A 35 5.812 -1.015 -2.791 1.00 42.13 H new ATOM 511 N SER A 36 6.309 0.282 0.888 1.00 61.44 N ATOM 512 CA SER A 36 6.302 1.267 1.957 1.00 63.42 C ATOM 513 C SER A 36 4.895 1.399 2.541 1.00 33.21 C ATOM 514 O SER A 36 3.877 1.276 1.851 1.00 75.22 O ATOM 515 CB SER A 36 6.828 2.604 1.447 1.00 74.52 C ATOM 516 OG SER A 36 7.066 3.467 2.539 1.00 15.24 O ATOM 0 H SER A 36 6.148 0.675 -0.039 1.00 61.44 H new ATOM 0 HA SER A 36 6.965 0.935 2.756 1.00 63.42 H new ATOM 0 HB2 SER A 36 7.748 2.453 0.883 1.00 74.52 H new ATOM 0 HB3 SER A 36 6.106 3.054 0.765 1.00 74.52 H new ATOM 0 HG SER A 36 7.119 2.942 3.365 1.00 15.24 H new ATOM 521 N CYS A 37 4.838 1.688 3.840 1.00 52.21 N ATOM 522 CA CYS A 37 3.597 1.837 4.576 1.00 62.52 C ATOM 523 C CYS A 37 2.820 3.100 4.188 1.00 34.23 C ATOM 524 O CYS A 37 1.593 3.112 4.327 1.00 30.40 O ATOM 525 CB CYS A 37 3.896 1.818 6.077 1.00 54.41 C ATOM 526 SG CYS A 37 4.320 0.124 6.581 1.00 42.32 S ATOM 0 H CYS A 37 5.670 1.826 4.414 1.00 52.21 H new ATOM 0 HA CYS A 37 2.953 0.997 4.315 1.00 62.52 H new ATOM 0 HB2 CYS A 37 4.720 2.495 6.304 1.00 54.41 H new ATOM 0 HB3 CYS A 37 3.030 2.171 6.637 1.00 54.41 H new ATOM 0 HG CYS A 37 4.577 0.102 7.855 1.00 42.32 H new ATOM 531 N GLU A 38 3.485 4.151 3.709 1.00 13.24 N ATOM 532 CA GLU A 38 2.830 5.296 3.098 1.00 20.33 C ATOM 533 C GLU A 38 2.046 4.835 1.867 1.00 24.41 C ATOM 534 O GLU A 38 0.818 4.971 1.843 1.00 4.42 O ATOM 535 CB GLU A 38 3.854 6.419 2.851 1.00 61.41 C ATOM 536 CG GLU A 38 5.007 6.076 1.885 1.00 55.42 C ATOM 537 CD GLU A 38 6.352 6.732 2.234 1.00 41.44 C ATOM 538 OE1 GLU A 38 6.671 6.866 3.435 1.00 21.51 O ATOM 539 OE2 GLU A 38 7.135 7.026 1.297 1.00 73.21 O ATOM 0 H GLU A 38 4.502 4.228 3.737 1.00 13.24 H new ATOM 0 HA GLU A 38 2.090 5.737 3.766 1.00 20.33 H new ATOM 0 HB2 GLU A 38 3.325 7.288 2.461 1.00 61.41 H new ATOM 0 HB3 GLU A 38 4.283 6.711 3.810 1.00 61.41 H new ATOM 0 HG2 GLU A 38 5.139 4.994 1.868 1.00 55.42 H new ATOM 0 HG3 GLU A 38 4.721 6.378 0.877 1.00 55.42 H new ATOM 544 N LEU A 39 2.733 4.198 0.908 1.00 43.34 N ATOM 545 CA LEU A 39 2.183 3.777 -0.378 1.00 41.15 C ATOM 546 C LEU A 39 0.926 2.929 -0.189 1.00 1.00 C ATOM 547 O LEU A 39 -0.053 3.125 -0.906 1.00 22.41 O ATOM 548 CB LEU A 39 3.233 3.031 -1.219 1.00 53.14 C ATOM 549 CG LEU A 39 2.933 3.130 -2.736 1.00 0.40 C ATOM 550 CD1 LEU A 39 3.477 4.458 -3.281 1.00 0.22 C ATOM 551 CD2 LEU A 39 3.560 1.948 -3.485 1.00 4.41 C ATOM 0 H LEU A 39 3.718 3.956 1.015 1.00 43.34 H new ATOM 0 HA LEU A 39 1.900 4.676 -0.925 1.00 41.15 H new ATOM 0 HB2 LEU A 39 4.221 3.444 -1.016 1.00 53.14 H new ATOM 0 HB3 LEU A 39 3.259 1.983 -0.921 1.00 53.14 H new ATOM 0 HG LEU A 39 1.854 3.096 -2.889 1.00 0.40 H new ATOM 0 HD11 LEU A 39 3.266 4.527 -4.348 1.00 0.22 H new ATOM 0 HD12 LEU A 39 2.998 5.288 -2.762 1.00 0.22 H new ATOM 0 HD13 LEU A 39 4.554 4.503 -3.121 1.00 0.22 H new ATOM 0 HD21 LEU A 39 3.340 2.033 -4.549 1.00 4.41 H new ATOM 0 HD22 LEU A 39 4.640 1.955 -3.336 1.00 4.41 H new ATOM 0 HD23 LEU A 39 3.147 1.015 -3.103 1.00 4.41 H new ATOM 562 N LEU A 40 0.918 2.049 0.822 1.00 35.52 N ATOM 563 CA LEU A 40 -0.206 1.184 1.138 1.00 32.31 C ATOM 564 C LEU A 40 -1.512 1.979 1.284 1.00 73.33 C ATOM 565 O LEU A 40 -2.513 1.632 0.655 1.00 71.33 O ATOM 566 CB LEU A 40 0.080 0.361 2.421 1.00 50.31 C ATOM 567 CG LEU A 40 0.460 -1.132 2.300 1.00 64.44 C ATOM 568 CD1 LEU A 40 -0.359 -1.863 1.228 1.00 70.41 C ATOM 569 CD2 LEU A 40 1.963 -1.391 2.118 1.00 4.33 C ATOM 0 H LEU A 40 1.712 1.923 1.450 1.00 35.52 H new ATOM 0 HA LEU A 40 -0.333 0.495 0.303 1.00 32.31 H new ATOM 0 HB2 LEU A 40 0.887 0.861 2.956 1.00 50.31 H new ATOM 0 HB3 LEU A 40 -0.807 0.422 3.052 1.00 50.31 H new ATOM 0 HG LEU A 40 0.199 -1.554 3.271 1.00 64.44 H new ATOM 0 HD11 LEU A 40 -0.052 -2.908 1.185 1.00 70.41 H new ATOM 0 HD12 LEU A 40 -1.418 -1.806 1.478 1.00 70.41 H new ATOM 0 HD13 LEU A 40 -0.189 -1.395 0.258 1.00 70.41 H new ATOM 0 HD21 LEU A 40 2.141 -2.464 2.042 1.00 4.33 H new ATOM 0 HD22 LEU A 40 2.309 -0.900 1.208 1.00 4.33 H new ATOM 0 HD23 LEU A 40 2.507 -0.993 2.975 1.00 4.33 H new ATOM 580 N ARG A 41 -1.557 3.005 2.144 1.00 32.11 N ATOM 581 CA ARG A 41 -2.836 3.664 2.446 1.00 53.35 C ATOM 582 C ARG A 41 -3.243 4.605 1.322 1.00 1.10 C ATOM 583 O ARG A 41 -4.430 4.659 0.995 1.00 12.23 O ATOM 584 CB ARG A 41 -2.791 4.386 3.803 1.00 30.23 C ATOM 585 CG ARG A 41 -4.170 4.498 4.487 1.00 2.41 C ATOM 586 CD ARG A 41 -5.009 5.727 4.099 1.00 34.34 C ATOM 587 NE ARG A 41 -6.426 5.566 4.487 1.00 21.33 N ATOM 588 CZ ARG A 41 -7.355 4.847 3.845 1.00 62.45 C ATOM 589 NH1 ARG A 41 -7.078 4.264 2.685 1.00 62.34 N ATOM 590 NH2 ARG A 41 -8.572 4.719 4.355 1.00 13.00 N ATOM 0 H ARG A 41 -0.747 3.389 2.631 1.00 32.11 H new ATOM 0 HA ARG A 41 -3.600 2.890 2.521 1.00 53.35 H new ATOM 0 HB2 ARG A 41 -2.108 3.855 4.466 1.00 30.23 H new ATOM 0 HB3 ARG A 41 -2.383 5.387 3.660 1.00 30.23 H new ATOM 0 HG2 ARG A 41 -4.744 3.601 4.255 1.00 2.41 H new ATOM 0 HG3 ARG A 41 -4.020 4.510 5.567 1.00 2.41 H new ATOM 0 HD2 ARG A 41 -4.598 6.615 4.580 1.00 34.34 H new ATOM 0 HD3 ARG A 41 -4.942 5.888 3.023 1.00 34.34 H new ATOM 0 HE ARG A 41 -6.727 6.053 5.331 1.00 21.33 H new ATOM 0 HH11 ARG A 41 -6.150 4.362 2.274 1.00 62.34 H new ATOM 0 HH12 ARG A 41 -7.794 3.718 2.205 1.00 62.34 H new ATOM 0 HH21 ARG A 41 -8.804 5.169 5.240 1.00 13.00 H new ATOM 0 HH22 ARG A 41 -9.276 4.170 3.862 1.00 13.00 H new ATOM 601 N VAL A 42 -2.289 5.350 0.760 1.00 13.02 N ATOM 602 CA VAL A 42 -2.542 6.332 -0.291 1.00 42.33 C ATOM 603 C VAL A 42 -3.045 5.620 -1.544 1.00 71.32 C ATOM 604 O VAL A 42 -4.097 5.984 -2.070 1.00 54.22 O ATOM 605 CB VAL A 42 -1.294 7.212 -0.506 1.00 14.31 C ATOM 606 CG1 VAL A 42 -0.865 7.823 0.831 1.00 51.04 C ATOM 607 CG2 VAL A 42 -0.100 6.529 -1.158 1.00 55.31 C ATOM 0 H VAL A 42 -1.307 5.286 1.027 1.00 13.02 H new ATOM 0 HA VAL A 42 -3.334 7.021 0.001 1.00 42.33 H new ATOM 0 HB VAL A 42 -1.607 7.972 -1.222 1.00 14.31 H new ATOM 0 HG11 VAL A 42 0.017 8.445 0.680 1.00 51.04 H new ATOM 0 HG12 VAL A 42 -1.676 8.433 1.229 1.00 51.04 H new ATOM 0 HG13 VAL A 42 -0.631 7.026 1.537 1.00 51.04 H new ATOM 0 HG21 VAL A 42 0.717 7.243 -1.259 1.00 55.31 H new ATOM 0 HG22 VAL A 42 0.223 5.692 -0.539 1.00 55.31 H new ATOM 0 HG23 VAL A 42 -0.385 6.162 -2.144 1.00 55.31 H new ATOM 617 N TYR A 43 -2.380 4.547 -1.974 1.00 12.02 N ATOM 618 CA TYR A 43 -2.843 3.732 -3.082 1.00 51.43 C ATOM 619 C TYR A 43 -3.791 2.663 -2.538 1.00 71.54 C ATOM 620 O TYR A 43 -3.622 1.466 -2.777 1.00 12.12 O ATOM 621 CB TYR A 43 -1.648 3.184 -3.876 1.00 22.31 C ATOM 622 CG TYR A 43 -1.933 3.120 -5.365 1.00 34.44 C ATOM 623 CD1 TYR A 43 -2.875 2.210 -5.887 1.00 54.11 C ATOM 624 CD2 TYR A 43 -1.249 3.986 -6.234 1.00 4.13 C ATOM 625 CE1 TYR A 43 -3.104 2.140 -7.271 1.00 35.34 C ATOM 626 CE2 TYR A 43 -1.451 3.909 -7.622 1.00 13.11 C ATOM 627 CZ TYR A 43 -2.386 2.985 -8.147 1.00 3.11 C ATOM 628 OH TYR A 43 -2.604 2.903 -9.486 1.00 42.14 O ATOM 0 H TYR A 43 -1.506 4.224 -1.559 1.00 12.02 H new ATOM 0 HA TYR A 43 -3.412 4.322 -3.801 1.00 51.43 H new ATOM 0 HB2 TYR A 43 -0.777 3.815 -3.701 1.00 22.31 H new ATOM 0 HB3 TYR A 43 -1.398 2.187 -3.512 1.00 22.31 H new ATOM 0 HD1 TYR A 43 -3.424 1.563 -5.219 1.00 54.11 H new ATOM 0 HD2 TYR A 43 -0.563 4.717 -5.832 1.00 4.13 H new ATOM 0 HE1 TYR A 43 -3.828 1.442 -7.665 1.00 35.34 H new ATOM 0 HE2 TYR A 43 -0.894 4.553 -8.287 1.00 13.11 H new ATOM 0 HH TYR A 43 -2.034 3.551 -9.951 1.00 42.14 H new ATOM 637 N SER A 44 -4.803 3.074 -1.778 1.00 4.13 N ATOM 638 CA SER A 44 -5.926 2.210 -1.461 1.00 25.32 C ATOM 639 C SER A 44 -6.675 1.925 -2.772 1.00 54.14 C ATOM 640 O SER A 44 -6.762 2.807 -3.635 1.00 73.55 O ATOM 641 CB SER A 44 -6.819 2.861 -0.393 1.00 12.21 C ATOM 642 OG SER A 44 -6.710 4.274 -0.363 1.00 34.51 O ATOM 0 H SER A 44 -4.864 4.007 -1.370 1.00 4.13 H new ATOM 0 HA SER A 44 -5.591 1.265 -1.034 1.00 25.32 H new ATOM 0 HB2 SER A 44 -7.857 2.587 -0.580 1.00 12.21 H new ATOM 0 HB3 SER A 44 -6.555 2.461 0.586 1.00 12.21 H new ATOM 0 HG SER A 44 -5.913 4.530 0.147 1.00 34.51 H new ATOM 647 N PRO A 45 -7.237 0.720 -2.952 1.00 73.22 N ATOM 648 CA PRO A 45 -8.000 0.393 -4.151 1.00 21.32 C ATOM 649 C PRO A 45 -9.348 1.125 -4.153 1.00 14.02 C ATOM 650 O PRO A 45 -9.887 1.408 -5.225 1.00 73.22 O ATOM 651 CB PRO A 45 -8.168 -1.126 -4.112 1.00 45.12 C ATOM 652 CG PRO A 45 -8.164 -1.449 -2.619 1.00 11.10 C ATOM 653 CD PRO A 45 -7.281 -0.368 -1.989 1.00 11.40 C ATOM 0 HA PRO A 45 -7.497 0.709 -5.065 1.00 21.32 H new ATOM 0 HB2 PRO A 45 -9.098 -1.439 -4.588 1.00 45.12 H new ATOM 0 HB3 PRO A 45 -7.356 -1.633 -4.634 1.00 45.12 H new ATOM 0 HG2 PRO A 45 -9.173 -1.426 -2.206 1.00 11.10 H new ATOM 0 HG3 PRO A 45 -7.765 -2.446 -2.431 1.00 11.10 H new ATOM 0 HD2 PRO A 45 -7.694 -0.032 -1.038 1.00 11.40 H new ATOM 0 HD3 PRO A 45 -6.281 -0.750 -1.785 1.00 11.40 H new ATOM 658 N SER A 46 -9.860 1.465 -2.966 1.00 52.23 N ATOM 659 CA SER A 46 -11.058 2.249 -2.752 1.00 33.52 C ATOM 660 C SER A 46 -10.747 3.248 -1.637 1.00 11.45 C ATOM 661 O SER A 46 -10.956 2.968 -0.452 1.00 71.43 O ATOM 662 CB SER A 46 -12.229 1.306 -2.435 1.00 63.22 C ATOM 663 OG SER A 46 -13.462 1.999 -2.446 1.00 33.44 O ATOM 0 H SER A 46 -9.420 1.181 -2.091 1.00 52.23 H new ATOM 0 HA SER A 46 -11.360 2.812 -3.635 1.00 33.52 H new ATOM 0 HB2 SER A 46 -12.257 0.498 -3.166 1.00 63.22 H new ATOM 0 HB3 SER A 46 -12.076 0.847 -1.458 1.00 63.22 H new ATOM 0 HG SER A 46 -14.190 1.375 -2.243 1.00 33.44 H new ATOM 777 N VAL A 56 -9.687 10.928 -4.586 1.00 14.44 N ATOM 778 CA VAL A 56 -9.100 12.182 -4.134 1.00 60.10 C ATOM 779 C VAL A 56 -7.575 12.066 -4.050 1.00 51.10 C ATOM 780 O VAL A 56 -7.039 11.048 -3.590 1.00 32.32 O ATOM 781 CB VAL A 56 -9.787 12.698 -2.860 1.00 44.21 C ATOM 782 CG1 VAL A 56 -9.759 11.626 -1.778 1.00 22.33 C ATOM 783 CG2 VAL A 56 -9.159 14.007 -2.355 1.00 15.21 C ATOM 0 HA VAL A 56 -9.288 12.959 -4.875 1.00 60.10 H new ATOM 0 HB VAL A 56 -10.824 12.921 -3.109 1.00 44.21 H new ATOM 0 HG11 VAL A 56 -10.249 12.003 -0.880 1.00 22.33 H new ATOM 0 HG12 VAL A 56 -10.283 10.738 -2.132 1.00 22.33 H new ATOM 0 HG13 VAL A 56 -8.725 11.369 -1.547 1.00 22.33 H new ATOM 0 HG21 VAL A 56 -9.676 14.334 -1.453 1.00 15.21 H new ATOM 0 HG22 VAL A 56 -8.105 13.842 -2.129 1.00 15.21 H new ATOM 0 HG23 VAL A 56 -9.249 14.774 -3.124 1.00 15.21 H new ATOM 793 N LEU A 57 -6.875 13.104 -4.516 1.00 3.45 N ATOM 794 CA LEU A 57 -5.419 13.183 -4.463 1.00 33.24 C ATOM 795 C LEU A 57 -4.976 13.080 -3.008 1.00 53.23 C ATOM 796 O LEU A 57 -5.366 13.908 -2.182 1.00 71.50 O ATOM 797 CB LEU A 57 -4.914 14.502 -5.070 1.00 4.04 C ATOM 798 CG LEU A 57 -3.370 14.569 -5.076 1.00 63.53 C ATOM 799 CD1 LEU A 57 -2.766 13.804 -6.263 1.00 13.31 C ATOM 800 CD2 LEU A 57 -2.913 16.019 -5.159 1.00 11.22 C ATOM 0 H LEU A 57 -7.311 13.920 -4.945 1.00 3.45 H new ATOM 0 HA LEU A 57 -4.998 12.364 -5.045 1.00 33.24 H new ATOM 0 HB2 LEU A 57 -5.287 14.601 -6.089 1.00 4.04 H new ATOM 0 HB3 LEU A 57 -5.313 15.342 -4.501 1.00 4.04 H new ATOM 0 HG LEU A 57 -3.026 14.107 -4.150 1.00 63.53 H new ATOM 0 HD11 LEU A 57 -1.679 13.877 -6.228 1.00 13.31 H new ATOM 0 HD12 LEU A 57 -3.061 12.756 -6.208 1.00 13.31 H new ATOM 0 HD13 LEU A 57 -3.129 14.235 -7.196 1.00 13.31 H new ATOM 0 HD21 LEU A 57 -1.824 16.058 -5.163 1.00 11.22 H new ATOM 0 HD22 LEU A 57 -3.295 16.469 -6.075 1.00 11.22 H new ATOM 0 HD23 LEU A 57 -3.293 16.570 -4.298 1.00 11.22 H new ATOM 811 N VAL A 58 -4.143 12.093 -2.699 1.00 71.11 N ATOM 812 CA VAL A 58 -3.561 11.910 -1.389 1.00 54.01 C ATOM 813 C VAL A 58 -2.084 12.313 -1.424 1.00 40.05 C ATOM 814 O VAL A 58 -1.341 12.001 -2.359 1.00 61.33 O ATOM 815 CB VAL A 58 -3.839 10.476 -0.919 1.00 14.11 C ATOM 816 CG1 VAL A 58 -3.486 9.462 -2.004 1.00 62.51 C ATOM 817 CG2 VAL A 58 -3.180 10.177 0.423 1.00 2.11 C ATOM 0 H VAL A 58 -3.851 11.385 -3.373 1.00 71.11 H new ATOM 0 HA VAL A 58 -4.016 12.562 -0.643 1.00 54.01 H new ATOM 0 HB VAL A 58 -4.911 10.382 -0.745 1.00 14.11 H new ATOM 0 HG11 VAL A 58 -3.693 8.455 -1.642 1.00 62.51 H new ATOM 0 HG12 VAL A 58 -4.084 9.658 -2.894 1.00 62.51 H new ATOM 0 HG13 VAL A 58 -2.428 9.548 -2.252 1.00 62.51 H new ATOM 0 HG21 VAL A 58 -3.403 9.151 0.717 1.00 2.11 H new ATOM 0 HG22 VAL A 58 -2.101 10.303 0.334 1.00 2.11 H new ATOM 0 HG23 VAL A 58 -3.564 10.863 1.178 1.00 2.11 H new ATOM 827 N THR A 59 -1.697 13.027 -0.377 1.00 75.34 N ATOM 828 CA THR A 59 -0.418 13.681 -0.128 1.00 14.32 C ATOM 829 C THR A 59 0.589 12.696 0.484 1.00 20.42 C ATOM 830 O THR A 59 0.369 11.481 0.465 1.00 75.51 O ATOM 831 CB THR A 59 -0.725 14.892 0.770 1.00 14.40 C ATOM 832 OG1 THR A 59 -1.515 14.522 1.881 1.00 20.40 O ATOM 833 CG2 THR A 59 -1.516 15.929 -0.029 1.00 51.45 C ATOM 0 H THR A 59 -2.338 13.179 0.402 1.00 75.34 H new ATOM 0 HA THR A 59 0.059 14.024 -1.046 1.00 14.32 H new ATOM 0 HB THR A 59 0.227 15.295 1.117 1.00 14.40 H new ATOM 0 HG1 THR A 59 -1.692 15.312 2.434 1.00 20.40 H new ATOM 0 HG21 THR A 59 -1.735 16.788 0.606 1.00 51.45 H new ATOM 0 HG22 THR A 59 -0.928 16.253 -0.888 1.00 51.45 H new ATOM 0 HG23 THR A 59 -2.450 15.487 -0.375 1.00 51.45 H new ATOM 841 N HIS A 60 1.725 13.196 0.992 1.00 1.21 N ATOM 842 CA HIS A 60 2.655 12.380 1.773 1.00 64.43 C ATOM 843 C HIS A 60 1.921 11.806 3.008 1.00 42.15 C ATOM 844 O HIS A 60 0.805 12.224 3.327 1.00 11.41 O ATOM 845 CB HIS A 60 3.918 13.167 2.166 1.00 2.43 C ATOM 846 CG HIS A 60 4.637 13.934 1.099 1.00 40.34 C ATOM 847 ND1 HIS A 60 5.451 15.019 1.332 1.00 31.34 N ATOM 848 CD2 HIS A 60 4.594 13.710 -0.241 1.00 55.05 C ATOM 849 CE1 HIS A 60 5.887 15.455 0.138 1.00 55.03 C ATOM 850 NE2 HIS A 60 5.386 14.690 -0.852 1.00 55.21 N ATOM 0 H HIS A 60 2.019 14.165 0.873 1.00 1.21 H new ATOM 0 HA HIS A 60 2.999 11.550 1.155 1.00 64.43 H new ATOM 0 HB2 HIS A 60 3.641 13.870 2.951 1.00 2.43 H new ATOM 0 HB3 HIS A 60 4.626 12.463 2.604 1.00 2.43 H new ATOM 0 HD1 HIS A 60 5.681 15.418 2.242 1.00 31.34 H new ATOM 0 HD2 HIS A 60 4.050 12.923 -0.741 1.00 55.05 H new ATOM 0 HE1 HIS A 60 6.545 16.299 -0.008 1.00 55.03 H new ATOM 857 N LYS A 61 2.541 10.888 3.756 1.00 12.34 N ATOM 858 CA LYS A 61 1.963 10.371 5.007 1.00 60.12 C ATOM 859 C LYS A 61 3.048 10.317 6.066 1.00 32.34 C ATOM 860 O LYS A 61 4.050 9.634 5.870 1.00 12.24 O ATOM 861 CB LYS A 61 1.385 8.963 4.828 1.00 2.21 C ATOM 862 CG LYS A 61 0.240 8.749 3.836 1.00 11.30 C ATOM 863 CD LYS A 61 -1.167 9.032 4.379 1.00 21.20 C ATOM 864 CE LYS A 61 -1.630 10.462 4.118 1.00 22.41 C ATOM 865 NZ LYS A 61 -3.082 10.583 4.349 1.00 62.35 N ATOM 0 H LYS A 61 3.447 10.484 3.518 1.00 12.34 H new ATOM 0 HA LYS A 61 1.154 11.039 5.304 1.00 60.12 H new ATOM 0 HB2 LYS A 61 2.204 8.307 4.531 1.00 2.21 H new ATOM 0 HB3 LYS A 61 1.041 8.622 5.805 1.00 2.21 H new ATOM 0 HG2 LYS A 61 0.410 9.386 2.968 1.00 11.30 H new ATOM 0 HG3 LYS A 61 0.274 7.717 3.485 1.00 11.30 H new ATOM 0 HD2 LYS A 61 -1.873 8.338 3.922 1.00 21.20 H new ATOM 0 HD3 LYS A 61 -1.182 8.841 5.452 1.00 21.20 H new ATOM 0 HE2 LYS A 61 -1.093 11.150 4.771 1.00 22.41 H new ATOM 0 HE3 LYS A 61 -1.394 10.746 3.093 1.00 22.41 H new ATOM 0 HZ1 LYS A 61 -3.382 11.562 4.167 1.00 62.35 H new ATOM 0 HZ2 LYS A 61 -3.590 9.941 3.708 1.00 62.35 H new ATOM 0 HZ3 LYS A 61 -3.299 10.332 5.335 1.00 62.35 H new ATOM 875 N LYS A 62 2.887 11.093 7.139 1.00 61.25 N ATOM 876 CA LYS A 62 3.901 11.463 8.098 1.00 2.32 C ATOM 877 C LYS A 62 4.693 10.259 8.604 1.00 53.34 C ATOM 878 O LYS A 62 5.902 10.189 8.441 1.00 53.01 O ATOM 879 CB LYS A 62 3.264 12.263 9.261 1.00 65.35 C ATOM 880 CG LYS A 62 2.100 13.246 9.073 1.00 74.23 C ATOM 881 CD LYS A 62 0.653 12.759 9.117 1.00 61.54 C ATOM 882 CE LYS A 62 0.447 11.273 8.812 1.00 22.44 C ATOM 883 NZ LYS A 62 -0.907 10.794 9.115 1.00 51.11 N ATOM 0 H LYS A 62 1.980 11.501 7.366 1.00 61.25 H new ATOM 0 HA LYS A 62 4.623 12.103 7.591 1.00 2.32 H new ATOM 0 HB2 LYS A 62 2.930 11.528 9.993 1.00 65.35 H new ATOM 0 HB3 LYS A 62 4.073 12.829 9.724 1.00 65.35 H new ATOM 0 HG2 LYS A 62 2.203 14.015 9.839 1.00 74.23 H new ATOM 0 HG3 LYS A 62 2.245 13.734 8.109 1.00 74.23 H new ATOM 0 HD2 LYS A 62 0.248 12.968 10.107 1.00 61.54 H new ATOM 0 HD3 LYS A 62 0.070 13.342 8.404 1.00 61.54 H new ATOM 0 HE2 LYS A 62 0.659 11.094 7.758 1.00 22.44 H new ATOM 0 HE3 LYS A 62 1.167 10.689 9.386 1.00 22.44 H new ATOM 0 HZ1 LYS A 62 -0.992 9.795 8.838 1.00 51.11 H new ATOM 0 HZ2 LYS A 62 -1.088 10.887 10.135 1.00 51.11 H new ATOM 0 HZ3 LYS A 62 -1.602 11.360 8.587 1.00 51.11 H new ATOM 893 N ASN A 63 3.998 9.343 9.267 1.00 12.23 N ATOM 894 CA ASN A 63 4.571 8.241 10.031 1.00 41.12 C ATOM 895 C ASN A 63 3.470 7.189 10.102 1.00 34.43 C ATOM 896 O ASN A 63 2.632 7.185 10.999 1.00 32.33 O ATOM 897 CB ASN A 63 5.065 8.690 11.434 1.00 1.31 C ATOM 898 CG ASN A 63 4.520 10.051 11.862 1.00 2.32 C ATOM 899 OD1 ASN A 63 3.353 10.177 12.220 1.00 71.32 O ATOM 900 ND2 ASN A 63 5.305 11.102 11.673 1.00 21.33 N ATOM 0 H ASN A 63 2.978 9.348 9.288 1.00 12.23 H new ATOM 0 HA ASN A 63 5.466 7.843 9.553 1.00 41.12 H new ATOM 0 HB2 ASN A 63 4.772 7.942 12.171 1.00 1.31 H new ATOM 0 HB3 ASN A 63 6.154 8.727 11.433 1.00 1.31 H new ATOM 0 HD21 ASN A 63 4.943 12.043 11.825 1.00 21.33 H new ATOM 0 HD22 ASN A 63 6.272 10.970 11.375 1.00 21.33 H new ATOM 906 N VAL A 64 3.380 6.353 9.073 1.00 31.42 N ATOM 907 CA VAL A 64 2.436 5.242 8.996 1.00 13.32 C ATOM 908 C VAL A 64 3.053 3.965 9.562 1.00 34.20 C ATOM 909 O VAL A 64 4.059 3.459 9.042 1.00 23.34 O ATOM 910 CB VAL A 64 1.967 4.983 7.551 1.00 13.22 C ATOM 911 CG1 VAL A 64 0.666 4.171 7.601 1.00 11.23 C ATOM 912 CG2 VAL A 64 1.733 6.271 6.758 1.00 64.41 C ATOM 0 H VAL A 64 3.976 6.431 8.249 1.00 31.42 H new ATOM 0 HA VAL A 64 1.569 5.525 9.593 1.00 13.32 H new ATOM 0 HB VAL A 64 2.758 4.437 7.037 1.00 13.22 H new ATOM 0 HG11 VAL A 64 0.318 3.978 6.586 1.00 11.23 H new ATOM 0 HG12 VAL A 64 0.848 3.224 8.109 1.00 11.23 H new ATOM 0 HG13 VAL A 64 -0.094 4.734 8.144 1.00 11.23 H new ATOM 0 HG21 VAL A 64 1.404 6.022 5.749 1.00 64.41 H new ATOM 0 HG22 VAL A 64 0.967 6.868 7.252 1.00 64.41 H new ATOM 0 HG23 VAL A 64 2.661 6.841 6.707 1.00 64.41 H new ATOM 922 N ASN A 65 2.392 3.390 10.561 1.00 3.33 N ATOM 923 CA ASN A 65 2.571 2.022 11.017 1.00 33.21 C ATOM 924 C ASN A 65 1.209 1.313 11.014 1.00 45.05 C ATOM 925 O ASN A 65 0.198 1.894 10.611 1.00 21.32 O ATOM 926 CB ASN A 65 3.246 1.987 12.394 1.00 4.41 C ATOM 927 CG ASN A 65 4.545 2.779 12.498 1.00 24.21 C ATOM 928 OD1 ASN A 65 4.644 3.761 13.225 1.00 31.13 O ATOM 929 ND2 ASN A 65 5.610 2.361 11.837 1.00 53.41 N ATOM 0 H ASN A 65 1.684 3.891 11.098 1.00 3.33 H new ATOM 0 HA ASN A 65 3.236 1.489 10.338 1.00 33.21 H new ATOM 0 HB2 ASN A 65 2.545 2.370 13.135 1.00 4.41 H new ATOM 0 HB3 ASN A 65 3.450 0.949 12.655 1.00 4.41 H new ATOM 0 HD21 ASN A 65 6.498 2.854 11.936 1.00 53.41 H new ATOM 0 HD22 ASN A 65 5.545 1.545 11.228 1.00 53.41 H new ATOM 935 N ILE A 66 1.190 0.037 11.410 1.00 14.00 N ATOM 936 CA ILE A 66 0.014 -0.831 11.362 1.00 44.34 C ATOM 937 C ILE A 66 -0.193 -1.428 12.753 1.00 61.25 C ATOM 938 O ILE A 66 0.771 -1.720 13.473 1.00 10.44 O ATOM 939 CB ILE A 66 0.193 -1.899 10.249 1.00 44.34 C ATOM 940 CG1 ILE A 66 0.071 -1.221 8.870 1.00 10.44 C ATOM 941 CG2 ILE A 66 -0.814 -3.051 10.356 1.00 22.13 C ATOM 942 CD1 ILE A 66 0.219 -2.161 7.669 1.00 63.31 C ATOM 0 H ILE A 66 2.016 -0.432 11.783 1.00 14.00 H new ATOM 0 HA ILE A 66 -0.886 -0.274 11.102 1.00 44.34 H new ATOM 0 HB ILE A 66 1.183 -2.337 10.375 1.00 44.34 H new ATOM 0 HG12 ILE A 66 -0.899 -0.729 8.809 1.00 10.44 H new ATOM 0 HG13 ILE A 66 0.829 -0.441 8.797 1.00 10.44 H new ATOM 0 HG21 ILE A 66 -0.638 -3.764 9.551 1.00 22.13 H new ATOM 0 HG22 ILE A 66 -0.694 -3.551 11.317 1.00 22.13 H new ATOM 0 HG23 ILE A 66 -1.827 -2.657 10.276 1.00 22.13 H new ATOM 0 HD11 ILE A 66 0.118 -1.590 6.746 1.00 63.31 H new ATOM 0 HD12 ILE A 66 1.200 -2.635 7.697 1.00 63.31 H new ATOM 0 HD13 ILE A 66 -0.556 -2.927 7.709 1.00 63.31 H new ATOM 953 N ASN A 67 -1.455 -1.633 13.120 1.00 63.35 N ATOM 954 CA ASN A 67 -1.879 -2.201 14.385 1.00 51.23 C ATOM 955 C ASN A 67 -2.153 -3.697 14.236 1.00 3.10 C ATOM 956 O ASN A 67 -1.873 -4.437 15.181 1.00 72.25 O ATOM 957 CB ASN A 67 -3.110 -1.440 14.896 1.00 61.51 C ATOM 958 CG ASN A 67 -2.719 -0.079 15.458 1.00 13.44 C ATOM 959 OD1 ASN A 67 -1.885 -0.001 16.356 1.00 4.44 O ATOM 960 ND2 ASN A 67 -3.265 1.016 14.961 1.00 51.42 N ATOM 0 H ASN A 67 -2.240 -1.396 12.514 1.00 63.35 H new ATOM 0 HA ASN A 67 -1.082 -2.095 15.121 1.00 51.23 H new ATOM 0 HB2 ASN A 67 -3.824 -1.310 14.083 1.00 61.51 H new ATOM 0 HB3 ASN A 67 -3.609 -2.026 15.668 1.00 61.51 H new ATOM 0 HD21 ASN A 67 -2.994 1.930 15.323 1.00 51.42 H new ATOM 0 HD22 ASN A 67 -3.957 0.947 14.215 1.00 51.42 H new ATOM 966 N ALA A 68 -2.650 -4.153 13.075 1.00 30.13 N ATOM 967 CA ALA A 68 -2.868 -5.557 12.733 1.00 52.41 C ATOM 968 C ALA A 68 -3.041 -5.740 11.223 1.00 50.42 C ATOM 969 O ALA A 68 -3.285 -4.782 10.490 1.00 44.42 O ATOM 970 CB ALA A 68 -4.129 -6.078 13.428 1.00 51.42 C ATOM 0 H ALA A 68 -2.921 -3.522 12.321 1.00 30.13 H new ATOM 0 HA ALA A 68 -1.992 -6.114 13.065 1.00 52.41 H new ATOM 0 HB1 ALA A 68 -4.282 -7.125 13.167 1.00 51.42 H new ATOM 0 HB2 ALA A 68 -4.013 -5.987 14.508 1.00 51.42 H new ATOM 0 HB3 ALA A 68 -4.990 -5.493 13.105 1.00 51.42 H new ATOM 976 N ILE A 69 -2.995 -6.997 10.787 1.00 4.30 N ATOM 977 CA ILE A 69 -3.376 -7.500 9.472 1.00 14.02 C ATOM 978 C ILE A 69 -4.485 -8.524 9.771 1.00 54.32 C ATOM 979 O ILE A 69 -4.426 -9.172 10.819 1.00 72.42 O ATOM 980 CB ILE A 69 -2.123 -8.121 8.800 1.00 13.43 C ATOM 981 CG1 ILE A 69 -0.974 -7.093 8.616 1.00 61.51 C ATOM 982 CG2 ILE A 69 -2.426 -8.778 7.447 1.00 11.31 C ATOM 983 CD1 ILE A 69 0.152 -7.270 9.644 1.00 74.22 C ATOM 0 H ILE A 69 -2.664 -7.748 11.393 1.00 4.30 H new ATOM 0 HA ILE A 69 -3.741 -6.744 8.777 1.00 14.02 H new ATOM 0 HB ILE A 69 -1.799 -8.897 9.494 1.00 13.43 H new ATOM 0 HG12 ILE A 69 -0.562 -7.191 7.612 1.00 61.51 H new ATOM 0 HG13 ILE A 69 -1.379 -6.084 8.697 1.00 61.51 H new ATOM 0 HG21 ILE A 69 -1.508 -9.193 7.030 1.00 11.31 H new ATOM 0 HG22 ILE A 69 -3.155 -9.577 7.585 1.00 11.31 H new ATOM 0 HG23 ILE A 69 -2.831 -8.032 6.763 1.00 11.31 H new ATOM 0 HD11 ILE A 69 0.927 -6.524 9.467 1.00 74.22 H new ATOM 0 HD12 ILE A 69 -0.250 -7.144 10.649 1.00 74.22 H new ATOM 0 HD13 ILE A 69 0.580 -8.268 9.547 1.00 74.22 H new ATOM 994 N THR A 70 -5.512 -8.675 8.927 1.00 23.52 N ATOM 995 CA THR A 70 -6.605 -9.628 9.160 1.00 63.13 C ATOM 996 C THR A 70 -7.229 -10.070 7.820 1.00 5.04 C ATOM 997 O THR A 70 -7.790 -9.233 7.113 1.00 34.10 O ATOM 998 CB THR A 70 -7.630 -8.985 10.121 1.00 61.12 C ATOM 999 OG1 THR A 70 -7.060 -8.929 11.417 1.00 14.30 O ATOM 1000 CG2 THR A 70 -8.944 -9.760 10.236 1.00 51.35 C ATOM 0 H THR A 70 -5.610 -8.141 8.064 1.00 23.52 H new ATOM 0 HA THR A 70 -6.228 -10.535 9.632 1.00 63.13 H new ATOM 0 HB THR A 70 -7.860 -8.002 9.711 1.00 61.12 H new ATOM 0 HG1 THR A 70 -6.107 -9.151 11.365 1.00 14.30 H new ATOM 0 HG21 THR A 70 -9.610 -9.245 10.928 1.00 51.35 H new ATOM 0 HG22 THR A 70 -9.417 -9.822 9.256 1.00 51.35 H new ATOM 0 HG23 THR A 70 -8.742 -10.765 10.606 1.00 51.35 H new ATOM 1008 N PRO A 71 -7.100 -11.350 7.426 1.00 63.52 N ATOM 1009 CA PRO A 71 -7.555 -11.867 6.137 1.00 2.03 C ATOM 1010 C PRO A 71 -9.070 -12.043 6.115 1.00 45.43 C ATOM 1011 O PRO A 71 -9.652 -12.755 6.944 1.00 41.25 O ATOM 1012 CB PRO A 71 -6.810 -13.191 5.941 1.00 34.54 C ATOM 1013 CG PRO A 71 -6.571 -13.668 7.372 1.00 43.34 C ATOM 1014 CD PRO A 71 -6.372 -12.381 8.146 1.00 50.03 C ATOM 0 HA PRO A 71 -7.339 -11.177 5.321 1.00 2.03 H new ATOM 0 HB2 PRO A 71 -7.403 -13.907 5.371 1.00 34.54 H new ATOM 0 HB3 PRO A 71 -5.874 -13.051 5.401 1.00 34.54 H new ATOM 0 HG2 PRO A 71 -7.419 -14.238 7.752 1.00 43.34 H new ATOM 0 HG3 PRO A 71 -5.697 -14.315 7.438 1.00 43.34 H new ATOM 0 HD2 PRO A 71 -6.745 -12.480 9.165 1.00 50.03 H new ATOM 0 HD3 PRO A 71 -5.314 -12.131 8.217 1.00 50.03 H new ATOM 1019 N VAL A 72 -9.693 -11.438 5.110 1.00 34.10 N ATOM 1020 CA VAL A 72 -11.119 -11.515 4.855 1.00 24.52 C ATOM 1021 C VAL A 72 -11.280 -12.349 3.590 1.00 44.04 C ATOM 1022 O VAL A 72 -10.709 -12.025 2.539 1.00 61.52 O ATOM 1023 CB VAL A 72 -11.716 -10.105 4.711 1.00 41.24 C ATOM 1024 CG1 VAL A 72 -13.238 -10.165 4.503 1.00 44.44 C ATOM 1025 CG2 VAL A 72 -11.431 -9.231 5.945 1.00 71.35 C ATOM 0 H VAL A 72 -9.198 -10.862 4.429 1.00 34.10 H new ATOM 0 HA VAL A 72 -11.658 -11.981 5.680 1.00 24.52 H new ATOM 0 HB VAL A 72 -11.238 -9.660 3.838 1.00 41.24 H new ATOM 0 HG11 VAL A 72 -13.632 -9.153 4.404 1.00 44.44 H new ATOM 0 HG12 VAL A 72 -13.460 -10.730 3.598 1.00 44.44 H new ATOM 0 HG13 VAL A 72 -13.703 -10.654 5.359 1.00 44.44 H new ATOM 0 HG21 VAL A 72 -11.870 -8.244 5.801 1.00 71.35 H new ATOM 0 HG22 VAL A 72 -11.867 -9.697 6.829 1.00 71.35 H new ATOM 0 HG23 VAL A 72 -10.354 -9.133 6.080 1.00 71.35 H new ATOM 1035 N GLY A 73 -12.044 -13.432 3.691 1.00 31.11 N ATOM 1036 CA GLY A 73 -12.387 -14.269 2.559 1.00 24.13 C ATOM 1037 C GLY A 73 -11.218 -15.049 1.969 1.00 45.23 C ATOM 1038 O GLY A 73 -11.333 -15.524 0.843 1.00 53.33 O ATOM 0 H GLY A 73 -12.444 -13.752 4.573 1.00 31.11 H new ATOM 0 HA2 GLY A 73 -13.159 -14.974 2.866 1.00 24.13 H new ATOM 0 HA3 GLY A 73 -12.820 -13.643 1.779 1.00 24.13 H new ATOM 1042 N ASN A 74 -10.095 -15.155 2.689 1.00 65.53 N ATOM 1043 CA ASN A 74 -8.841 -15.828 2.323 1.00 30.22 C ATOM 1044 C ASN A 74 -8.087 -15.141 1.181 1.00 22.54 C ATOM 1045 O ASN A 74 -6.962 -15.539 0.862 1.00 1.00 O ATOM 1046 CB ASN A 74 -9.064 -17.318 1.998 1.00 41.12 C ATOM 1047 CG ASN A 74 -9.872 -18.026 3.070 1.00 34.50 C ATOM 1048 OD1 ASN A 74 -11.030 -18.372 2.860 1.00 33.20 O ATOM 1049 ND2 ASN A 74 -9.306 -18.229 4.244 1.00 14.34 N ATOM 0 H ASN A 74 -10.034 -14.739 3.618 1.00 65.53 H new ATOM 0 HA ASN A 74 -8.209 -15.753 3.208 1.00 30.22 H new ATOM 0 HB2 ASN A 74 -9.578 -17.406 1.041 1.00 41.12 H new ATOM 0 HB3 ASN A 74 -8.099 -17.812 1.888 1.00 41.12 H new ATOM 0 HD21 ASN A 74 -9.832 -18.679 4.993 1.00 14.34 H new ATOM 0 HD22 ASN A 74 -8.342 -17.936 4.403 1.00 14.34 H new ATOM 1055 N TYR A 75 -8.669 -14.109 0.566 1.00 31.14 N ATOM 1056 CA TYR A 75 -8.239 -13.570 -0.720 1.00 5.32 C ATOM 1057 C TYR A 75 -7.887 -12.078 -0.702 1.00 24.44 C ATOM 1058 O TYR A 75 -7.398 -11.541 -1.704 1.00 3.14 O ATOM 1059 CB TYR A 75 -9.280 -13.936 -1.791 1.00 31.22 C ATOM 1060 CG TYR A 75 -10.767 -13.677 -1.530 1.00 25.32 C ATOM 1061 CD1 TYR A 75 -11.251 -12.671 -0.664 1.00 41.33 C ATOM 1062 CD2 TYR A 75 -11.703 -14.464 -2.226 1.00 72.51 C ATOM 1063 CE1 TYR A 75 -12.634 -12.434 -0.544 1.00 41.02 C ATOM 1064 CE2 TYR A 75 -13.087 -14.233 -2.117 1.00 64.33 C ATOM 1065 CZ TYR A 75 -13.562 -13.206 -1.278 1.00 5.32 C ATOM 1066 OH TYR A 75 -14.894 -12.921 -1.202 1.00 73.11 O ATOM 0 H TYR A 75 -9.470 -13.616 0.960 1.00 31.14 H new ATOM 0 HA TYR A 75 -7.288 -14.039 -0.972 1.00 5.32 H new ATOM 0 HB2 TYR A 75 -9.012 -13.400 -2.701 1.00 31.22 H new ATOM 0 HB3 TYR A 75 -9.168 -14.999 -2.003 1.00 31.22 H new ATOM 0 HD1 TYR A 75 -10.554 -12.079 -0.089 1.00 41.33 H new ATOM 0 HD2 TYR A 75 -11.351 -15.265 -2.859 1.00 72.51 H new ATOM 0 HE1 TYR A 75 -12.988 -11.655 0.115 1.00 41.02 H new ATOM 0 HE2 TYR A 75 -13.783 -14.842 -2.675 1.00 64.33 H new ATOM 0 HH TYR A 75 -15.395 -13.545 -1.768 1.00 73.11 H new ATOM 1075 N ALA A 76 -8.098 -11.422 0.439 1.00 63.23 N ATOM 1076 CA ALA A 76 -7.757 -10.041 0.705 1.00 41.25 C ATOM 1077 C ALA A 76 -7.434 -9.907 2.187 1.00 65.34 C ATOM 1078 O ALA A 76 -7.691 -10.838 2.959 1.00 44.24 O ATOM 1079 CB ALA A 76 -8.964 -9.159 0.383 1.00 22.43 C ATOM 0 H ALA A 76 -8.536 -11.873 1.242 1.00 63.23 H new ATOM 0 HA ALA A 76 -6.904 -9.737 0.098 1.00 41.25 H new ATOM 0 HB1 ALA A 76 -8.716 -8.116 0.581 1.00 22.43 H new ATOM 0 HB2 ALA A 76 -9.230 -9.276 -0.668 1.00 22.43 H new ATOM 0 HB3 ALA A 76 -9.808 -9.455 1.006 1.00 22.43 H new ATOM 1085 N VAL A 77 -6.963 -8.733 2.596 1.00 71.15 N ATOM 1086 CA VAL A 77 -6.702 -8.445 3.990 1.00 63.53 C ATOM 1087 C VAL A 77 -7.149 -7.034 4.296 1.00 63.41 C ATOM 1088 O VAL A 77 -7.162 -6.153 3.435 1.00 54.04 O ATOM 1089 CB VAL A 77 -5.210 -8.648 4.281 1.00 14.10 C ATOM 1090 CG1 VAL A 77 -4.258 -7.554 3.804 1.00 52.43 C ATOM 1091 CG2 VAL A 77 -4.902 -9.252 5.616 1.00 14.32 C ATOM 0 H VAL A 77 -6.754 -7.959 1.966 1.00 71.15 H new ATOM 0 HA VAL A 77 -7.262 -9.124 4.634 1.00 63.53 H new ATOM 0 HB VAL A 77 -4.953 -9.446 3.584 1.00 14.10 H new ATOM 0 HG11 VAL A 77 -3.235 -7.819 4.072 1.00 52.43 H new ATOM 0 HG12 VAL A 77 -4.335 -7.452 2.722 1.00 52.43 H new ATOM 0 HG13 VAL A 77 -4.523 -6.609 4.278 1.00 52.43 H new ATOM 0 HG21 VAL A 77 -3.823 -9.356 5.728 1.00 14.32 H new ATOM 0 HG22 VAL A 77 -5.289 -8.607 6.405 1.00 14.32 H new ATOM 0 HG23 VAL A 77 -5.370 -10.234 5.688 1.00 14.32 H new ATOM 1101 N LYS A 78 -7.518 -6.866 5.553 1.00 23.41 N ATOM 1102 CA LYS A 78 -7.636 -5.589 6.229 1.00 45.43 C ATOM 1103 C LYS A 78 -6.247 -5.246 6.754 1.00 62.51 C ATOM 1104 O LYS A 78 -5.508 -6.148 7.166 1.00 1.34 O ATOM 1105 CB LYS A 78 -8.644 -5.717 7.384 1.00 70.24 C ATOM 1106 CG LYS A 78 -9.976 -5.027 7.052 1.00 64.41 C ATOM 1107 CD LYS A 78 -10.972 -5.143 8.214 1.00 73.23 C ATOM 1108 CE LYS A 78 -12.041 -6.216 7.979 1.00 45.01 C ATOM 1109 NZ LYS A 78 -13.207 -5.698 7.234 1.00 21.20 N ATOM 0 H LYS A 78 -7.754 -7.653 6.157 1.00 23.41 H new ATOM 0 HA LYS A 78 -7.994 -4.805 5.562 1.00 45.43 H new ATOM 0 HB2 LYS A 78 -8.823 -6.771 7.596 1.00 70.24 H new ATOM 0 HB3 LYS A 78 -8.221 -5.277 8.287 1.00 70.24 H new ATOM 0 HG2 LYS A 78 -9.797 -3.975 6.828 1.00 64.41 H new ATOM 0 HG3 LYS A 78 -10.406 -5.475 6.156 1.00 64.41 H new ATOM 0 HD2 LYS A 78 -10.428 -5.374 9.130 1.00 73.23 H new ATOM 0 HD3 LYS A 78 -11.459 -4.180 8.366 1.00 73.23 H new ATOM 0 HE2 LYS A 78 -11.602 -7.048 7.428 1.00 45.01 H new ATOM 0 HE3 LYS A 78 -12.373 -6.610 8.939 1.00 45.01 H new ATOM 0 HZ1 LYS A 78 -13.718 -6.490 6.795 1.00 21.20 H new ATOM 0 HZ2 LYS A 78 -13.841 -5.196 7.888 1.00 21.20 H new ATOM 0 HZ3 LYS A 78 -12.883 -5.043 6.494 1.00 21.20 H new ATOM 1119 N LEU A 79 -5.900 -3.963 6.757 1.00 65.25 N ATOM 1120 CA LEU A 79 -4.630 -3.438 7.243 1.00 73.51 C ATOM 1121 C LEU A 79 -4.989 -2.310 8.188 1.00 53.15 C ATOM 1122 O LEU A 79 -5.387 -1.239 7.728 1.00 22.10 O ATOM 1123 CB LEU A 79 -3.744 -2.927 6.089 1.00 34.42 C ATOM 1124 CG LEU A 79 -3.260 -4.012 5.114 1.00 5.10 C ATOM 1125 CD1 LEU A 79 -2.472 -3.381 3.964 1.00 74.32 C ATOM 1126 CD2 LEU A 79 -2.375 -5.063 5.801 1.00 31.43 C ATOM 0 H LEU A 79 -6.520 -3.233 6.407 1.00 65.25 H new ATOM 0 HA LEU A 79 -4.050 -4.216 7.740 1.00 73.51 H new ATOM 0 HB2 LEU A 79 -4.301 -2.177 5.527 1.00 34.42 H new ATOM 0 HB3 LEU A 79 -2.874 -2.426 6.513 1.00 34.42 H new ATOM 0 HG LEU A 79 -4.152 -4.511 4.735 1.00 5.10 H new ATOM 0 HD11 LEU A 79 -2.136 -4.162 3.282 1.00 74.32 H new ATOM 0 HD12 LEU A 79 -3.111 -2.680 3.427 1.00 74.32 H new ATOM 0 HD13 LEU A 79 -1.607 -2.851 4.363 1.00 74.32 H new ATOM 0 HD21 LEU A 79 -2.059 -5.807 5.070 1.00 31.43 H new ATOM 0 HD22 LEU A 79 -1.497 -4.577 6.227 1.00 31.43 H new ATOM 0 HD23 LEU A 79 -2.940 -5.552 6.595 1.00 31.43 H new ATOM 1137 N VAL A 80 -4.903 -2.550 9.493 1.00 63.24 N ATOM 1138 CA VAL A 80 -5.332 -1.601 10.509 1.00 5.00 C ATOM 1139 C VAL A 80 -4.266 -0.505 10.592 1.00 32.14 C ATOM 1140 O VAL A 80 -3.416 -0.525 11.483 1.00 74.32 O ATOM 1141 CB VAL A 80 -5.593 -2.326 11.850 1.00 45.01 C ATOM 1142 CG1 VAL A 80 -6.281 -1.420 12.885 1.00 4.32 C ATOM 1143 CG2 VAL A 80 -6.447 -3.591 11.684 1.00 41.34 C ATOM 0 H VAL A 80 -4.529 -3.418 9.876 1.00 63.24 H new ATOM 0 HA VAL A 80 -6.282 -1.133 10.251 1.00 5.00 H new ATOM 0 HB VAL A 80 -4.602 -2.604 12.209 1.00 45.01 H new ATOM 0 HG11 VAL A 80 -6.441 -1.978 13.808 1.00 4.32 H new ATOM 0 HG12 VAL A 80 -5.649 -0.555 13.089 1.00 4.32 H new ATOM 0 HG13 VAL A 80 -7.241 -1.084 12.493 1.00 4.32 H new ATOM 0 HG21 VAL A 80 -6.598 -4.058 12.657 1.00 41.34 H new ATOM 0 HG22 VAL A 80 -7.413 -3.324 11.256 1.00 41.34 H new ATOM 0 HG23 VAL A 80 -5.937 -4.290 11.021 1.00 41.34 H new ATOM 1153 N PHE A 81 -4.254 0.406 9.622 1.00 10.20 N ATOM 1154 CA PHE A 81 -3.294 1.497 9.601 1.00 65.55 C ATOM 1155 C PHE A 81 -3.685 2.483 10.688 1.00 13.21 C ATOM 1156 O PHE A 81 -4.861 2.839 10.811 1.00 22.11 O ATOM 1157 CB PHE A 81 -3.289 2.251 8.274 1.00 10.23 C ATOM 1158 CG PHE A 81 -3.231 1.451 6.999 1.00 42.12 C ATOM 1159 CD1 PHE A 81 -2.065 0.747 6.661 1.00 14.33 C ATOM 1160 CD2 PHE A 81 -4.308 1.488 6.101 1.00 21.44 C ATOM 1161 CE1 PHE A 81 -1.974 0.092 5.421 1.00 43.11 C ATOM 1162 CE2 PHE A 81 -4.198 0.873 4.848 1.00 10.23 C ATOM 1163 CZ PHE A 81 -3.023 0.192 4.493 1.00 24.32 C ATOM 0 H PHE A 81 -4.905 0.406 8.837 1.00 10.20 H new ATOM 0 HA PHE A 81 -2.302 1.071 9.752 1.00 65.55 H new ATOM 0 HB2 PHE A 81 -4.187 2.868 8.239 1.00 10.23 H new ATOM 0 HB3 PHE A 81 -2.436 2.929 8.280 1.00 10.23 H new ATOM 0 HD1 PHE A 81 -1.237 0.709 7.354 1.00 14.33 H new ATOM 0 HD2 PHE A 81 -5.223 1.991 6.376 1.00 21.44 H new ATOM 0 HE1 PHE A 81 -1.096 -0.489 5.181 1.00 43.11 H new ATOM 0 HE2 PHE A 81 -5.021 0.923 4.151 1.00 10.23 H new ATOM 0 HZ PHE A 81 -2.927 -0.252 3.513 1.00 24.32 H new ATOM 1172 N ASP A 82 -2.687 2.989 11.399 1.00 63.54 N ATOM 1173 CA ASP A 82 -2.854 3.923 12.504 1.00 54.02 C ATOM 1174 C ASP A 82 -3.604 5.205 12.119 1.00 12.23 C ATOM 1175 O ASP A 82 -4.289 5.793 12.954 1.00 25.50 O ATOM 1176 CB ASP A 82 -1.460 4.266 13.017 1.00 21.23 C ATOM 1177 CG ASP A 82 -1.481 5.491 13.921 1.00 62.15 C ATOM 1178 OD1 ASP A 82 -1.800 5.323 15.120 1.00 71.45 O ATOM 1179 OD2 ASP A 82 -1.105 6.587 13.450 1.00 51.01 O ATOM 0 H ASP A 82 -1.711 2.754 11.218 1.00 63.54 H new ATOM 0 HA ASP A 82 -3.468 3.447 13.269 1.00 54.02 H new ATOM 0 HB2 ASP A 82 -1.054 3.416 13.565 1.00 21.23 H new ATOM 0 HB3 ASP A 82 -0.795 4.448 12.172 1.00 21.23 H new ATOM 1183 N ASP A 83 -3.525 5.635 10.860 1.00 45.14 N ATOM 1184 CA ASP A 83 -4.179 6.854 10.370 1.00 63.11 C ATOM 1185 C ASP A 83 -5.060 6.539 9.153 1.00 24.51 C ATOM 1186 O ASP A 83 -5.419 7.420 8.367 1.00 50.32 O ATOM 1187 CB ASP A 83 -3.123 7.932 10.079 1.00 51.13 C ATOM 1188 CG ASP A 83 -3.662 9.345 10.322 1.00 13.10 C ATOM 1189 OD1 ASP A 83 -4.832 9.638 9.997 1.00 44.25 O ATOM 1190 OD2 ASP A 83 -2.875 10.220 10.730 1.00 73.32 O ATOM 0 H ASP A 83 -2.998 5.141 10.140 1.00 45.14 H new ATOM 0 HA ASP A 83 -4.842 7.251 11.139 1.00 63.11 H new ATOM 0 HB2 ASP A 83 -2.250 7.764 10.710 1.00 51.13 H new ATOM 0 HB3 ASP A 83 -2.791 7.844 9.045 1.00 51.13 H new ATOM 1194 N GLY A 84 -5.367 5.256 8.943 1.00 1.01 N ATOM 1195 CA GLY A 84 -6.128 4.766 7.803 1.00 34.41 C ATOM 1196 C GLY A 84 -7.442 4.118 8.211 1.00 74.53 C ATOM 1197 O GLY A 84 -8.095 3.518 7.357 1.00 44.03 O ATOM 0 H GLY A 84 -5.083 4.513 9.582 1.00 1.01 H new ATOM 0 HA2 GLY A 84 -6.331 5.594 7.124 1.00 34.41 H new ATOM 0 HA3 GLY A 84 -5.526 4.043 7.253 1.00 34.41 H new ATOM 1201 N HIS A 85 -7.806 4.222 9.494 1.00 24.13 N ATOM 1202 CA HIS A 85 -9.099 3.878 10.076 1.00 11.20 C ATOM 1203 C HIS A 85 -9.542 2.421 9.840 1.00 33.23 C ATOM 1204 O HIS A 85 -10.679 2.062 10.130 1.00 23.10 O ATOM 1205 CB HIS A 85 -10.116 4.938 9.622 1.00 30.23 C ATOM 1206 CG HIS A 85 -11.381 4.982 10.435 1.00 32.23 C ATOM 1207 ND1 HIS A 85 -11.466 5.090 11.806 1.00 14.34 N ATOM 1208 CD2 HIS A 85 -12.653 4.988 9.935 1.00 61.32 C ATOM 1209 CE1 HIS A 85 -12.766 5.175 12.129 1.00 23.51 C ATOM 1210 NE2 HIS A 85 -13.524 5.128 11.020 1.00 22.33 N ATOM 0 H HIS A 85 -7.157 4.573 10.198 1.00 24.13 H new ATOM 0 HA HIS A 85 -9.019 3.904 11.163 1.00 11.20 H new ATOM 0 HB2 HIS A 85 -9.641 5.918 9.661 1.00 30.23 H new ATOM 0 HB3 HIS A 85 -10.376 4.750 8.580 1.00 30.23 H new ATOM 0 HD2 HIS A 85 -12.933 4.901 8.896 1.00 61.32 H new ATOM 0 HE1 HIS A 85 -13.148 5.268 13.135 1.00 23.51 H new ATOM 0 HE2 HIS A 85 -14.542 5.184 10.978 1.00 22.33 H new ATOM 1217 N ASP A 86 -8.646 1.559 9.363 1.00 72.13 N ATOM 1218 CA ASP A 86 -8.876 0.193 8.883 1.00 32.23 C ATOM 1219 C ASP A 86 -9.959 0.059 7.790 1.00 33.50 C ATOM 1220 O ASP A 86 -10.469 -1.027 7.495 1.00 45.43 O ATOM 1221 CB ASP A 86 -9.071 -0.808 10.024 1.00 71.13 C ATOM 1222 CG ASP A 86 -9.006 -2.257 9.513 1.00 42.13 C ATOM 1223 OD1 ASP A 86 -8.200 -2.531 8.584 1.00 52.22 O ATOM 1224 OD2 ASP A 86 -9.755 -3.096 10.066 1.00 65.35 O ATOM 0 H ASP A 86 -7.661 1.816 9.296 1.00 72.13 H new ATOM 0 HA ASP A 86 -7.947 -0.071 8.378 1.00 32.23 H new ATOM 0 HB2 ASP A 86 -8.303 -0.653 10.782 1.00 71.13 H new ATOM 0 HB3 ASP A 86 -10.034 -0.632 10.504 1.00 71.13 H new ATOM 1228 N THR A 87 -10.337 1.150 7.134 1.00 71.43 N ATOM 1229 CA THR A 87 -11.391 1.140 6.129 1.00 25.51 C ATOM 1230 C THR A 87 -10.798 0.934 4.725 1.00 71.32 C ATOM 1231 O THR A 87 -10.985 1.750 3.814 1.00 33.21 O ATOM 1232 CB THR A 87 -12.203 2.435 6.289 1.00 30.12 C ATOM 1233 OG1 THR A 87 -11.341 3.544 6.491 1.00 10.31 O ATOM 1234 CG2 THR A 87 -13.113 2.350 7.521 1.00 3.41 C ATOM 0 H THR A 87 -9.920 2.068 7.285 1.00 71.43 H new ATOM 0 HA THR A 87 -12.072 0.301 6.268 1.00 25.51 H new ATOM 0 HB THR A 87 -12.790 2.561 5.379 1.00 30.12 H new ATOM 0 HG1 THR A 87 -11.875 4.360 6.589 1.00 10.31 H new ATOM 0 HG21 THR A 87 -13.680 3.276 7.619 1.00 3.41 H new ATOM 0 HG22 THR A 87 -13.801 1.513 7.408 1.00 3.41 H new ATOM 0 HG23 THR A 87 -12.505 2.201 8.413 1.00 3.41 H new ATOM 1242 N GLY A 88 -10.051 -0.156 4.534 1.00 74.35 N ATOM 1243 CA GLY A 88 -9.437 -0.486 3.259 1.00 32.12 C ATOM 1244 C GLY A 88 -9.142 -1.979 3.199 1.00 2.04 C ATOM 1245 O GLY A 88 -8.317 -2.491 3.950 1.00 65.34 O ATOM 0 H GLY A 88 -9.858 -0.836 5.270 1.00 74.35 H new ATOM 0 HA2 GLY A 88 -10.101 -0.204 2.442 1.00 32.12 H new ATOM 0 HA3 GLY A 88 -8.515 0.081 3.131 1.00 32.12 H new ATOM 1249 N LEU A 89 -9.849 -2.713 2.336 1.00 1.00 N ATOM 1250 CA LEU A 89 -9.431 -4.067 1.982 1.00 34.14 C ATOM 1251 C LEU A 89 -8.400 -3.984 0.867 1.00 72.41 C ATOM 1252 O LEU A 89 -8.501 -3.133 -0.020 1.00 10.41 O ATOM 1253 CB LEU A 89 -10.611 -4.942 1.518 1.00 51.22 C ATOM 1254 CG LEU A 89 -11.307 -5.754 2.611 1.00 64.43 C ATOM 1255 CD1 LEU A 89 -10.363 -6.741 3.271 1.00 70.23 C ATOM 1256 CD2 LEU A 89 -11.951 -4.890 3.693 1.00 13.30 C ATOM 0 H LEU A 89 -10.702 -2.396 1.876 1.00 1.00 H new ATOM 0 HA LEU A 89 -9.010 -4.532 2.873 1.00 34.14 H new ATOM 0 HB2 LEU A 89 -11.351 -4.298 1.043 1.00 51.22 H new ATOM 0 HB3 LEU A 89 -10.250 -5.631 0.754 1.00 51.22 H new ATOM 0 HG LEU A 89 -12.100 -6.293 2.093 1.00 64.43 H new ATOM 0 HD11 LEU A 89 -10.898 -7.297 4.041 1.00 70.23 H new ATOM 0 HD12 LEU A 89 -9.980 -7.435 2.522 1.00 70.23 H new ATOM 0 HD13 LEU A 89 -9.531 -6.202 3.724 1.00 70.23 H new ATOM 0 HD21 LEU A 89 -12.426 -5.531 4.436 1.00 13.30 H new ATOM 0 HD22 LEU A 89 -11.186 -4.281 4.175 1.00 13.30 H new ATOM 0 HD23 LEU A 89 -12.701 -4.240 3.241 1.00 13.30 H new ATOM 1267 N TYR A 90 -7.468 -4.931 0.875 1.00 51.43 N ATOM 1268 CA TYR A 90 -6.342 -5.036 -0.033 1.00 62.42 C ATOM 1269 C TYR A 90 -6.320 -6.467 -0.551 1.00 32.11 C ATOM 1270 O TYR A 90 -5.990 -7.400 0.186 1.00 12.01 O ATOM 1271 CB TYR A 90 -5.059 -4.665 0.721 1.00 42.35 C ATOM 1272 CG TYR A 90 -4.986 -3.184 1.033 1.00 42.14 C ATOM 1273 CD1 TYR A 90 -5.586 -2.648 2.188 1.00 71.21 C ATOM 1274 CD2 TYR A 90 -4.364 -2.327 0.113 1.00 14.33 C ATOM 1275 CE1 TYR A 90 -5.588 -1.258 2.399 1.00 3.41 C ATOM 1276 CE2 TYR A 90 -4.314 -0.948 0.339 1.00 72.44 C ATOM 1277 CZ TYR A 90 -4.941 -0.405 1.474 1.00 32.54 C ATOM 1278 OH TYR A 90 -4.894 0.936 1.659 1.00 14.14 O ATOM 0 H TYR A 90 -7.484 -5.689 1.558 1.00 51.43 H new ATOM 0 HA TYR A 90 -6.423 -4.354 -0.880 1.00 62.42 H new ATOM 0 HB2 TYR A 90 -5.008 -5.233 1.650 1.00 42.35 H new ATOM 0 HB3 TYR A 90 -4.193 -4.952 0.124 1.00 42.35 H new ATOM 0 HD1 TYR A 90 -6.045 -3.305 2.912 1.00 71.21 H new ATOM 0 HD2 TYR A 90 -3.918 -2.737 -0.781 1.00 14.33 H new ATOM 0 HE1 TYR A 90 -6.082 -0.842 3.265 1.00 3.41 H new ATOM 0 HE2 TYR A 90 -3.796 -0.303 -0.355 1.00 72.44 H new ATOM 0 HH TYR A 90 -4.144 1.310 1.151 1.00 14.14 H new ATOM 1287 N SER A 91 -6.755 -6.672 -1.794 1.00 30.24 N ATOM 1288 CA SER A 91 -6.606 -7.957 -2.463 1.00 53.33 C ATOM 1289 C SER A 91 -5.124 -8.245 -2.688 1.00 5.42 C ATOM 1290 O SER A 91 -4.370 -7.344 -3.055 1.00 44.33 O ATOM 1291 CB SER A 91 -7.351 -7.939 -3.794 1.00 12.30 C ATOM 1292 OG SER A 91 -8.728 -7.643 -3.652 1.00 14.24 O ATOM 0 H SER A 91 -7.216 -5.958 -2.358 1.00 30.24 H new ATOM 0 HA SER A 91 -7.030 -8.743 -1.838 1.00 53.33 H new ATOM 0 HB2 SER A 91 -6.892 -7.201 -4.451 1.00 12.30 H new ATOM 0 HB3 SER A 91 -7.241 -8.909 -4.279 1.00 12.30 H new ATOM 0 HG SER A 91 -9.155 -7.643 -4.534 1.00 14.24 H new ATOM 1297 N TRP A 92 -4.716 -9.509 -2.551 1.00 30.20 N ATOM 1298 CA TRP A 92 -3.335 -9.941 -2.763 1.00 14.24 C ATOM 1299 C TRP A 92 -2.780 -9.472 -4.115 1.00 44.45 C ATOM 1300 O TRP A 92 -1.623 -9.064 -4.205 1.00 53.24 O ATOM 1301 CB TRP A 92 -3.250 -11.468 -2.687 1.00 1.03 C ATOM 1302 CG TRP A 92 -3.846 -12.153 -1.491 1.00 63.24 C ATOM 1303 CD1 TRP A 92 -4.596 -13.279 -1.533 1.00 61.44 C ATOM 1304 CD2 TRP A 92 -3.762 -11.787 -0.080 1.00 64.21 C ATOM 1305 NE1 TRP A 92 -4.982 -13.627 -0.255 1.00 51.11 N ATOM 1306 CE2 TRP A 92 -4.549 -12.708 0.668 1.00 11.01 C ATOM 1307 CE3 TRP A 92 -3.115 -10.768 0.649 1.00 70.45 C ATOM 1308 CZ2 TRP A 92 -4.743 -12.589 2.047 1.00 1.34 C ATOM 1309 CZ3 TRP A 92 -3.207 -10.706 2.049 1.00 72.32 C ATOM 1310 CH2 TRP A 92 -4.019 -11.617 2.751 1.00 62.21 C ATOM 0 H TRP A 92 -5.343 -10.269 -2.287 1.00 30.20 H new ATOM 0 HA TRP A 92 -2.731 -9.487 -1.977 1.00 14.24 H new ATOM 0 HB2 TRP A 92 -3.732 -11.873 -3.577 1.00 1.03 H new ATOM 0 HB3 TRP A 92 -2.197 -11.746 -2.740 1.00 1.03 H new ATOM 0 HD1 TRP A 92 -4.853 -13.822 -2.430 1.00 61.44 H new ATOM 0 HE1 TRP A 92 -5.521 -14.462 -0.025 1.00 51.11 H new ATOM 0 HE3 TRP A 92 -2.539 -10.022 0.122 1.00 70.45 H new ATOM 0 HZ2 TRP A 92 -5.439 -13.235 2.561 1.00 1.34 H new ATOM 0 HZ3 TRP A 92 -2.651 -9.955 2.591 1.00 72.32 H new ATOM 0 HH2 TRP A 92 -4.084 -11.567 3.828 1.00 62.21 H new ATOM 1320 N LYS A 93 -3.610 -9.509 -5.164 1.00 44.32 N ATOM 1321 CA LYS A 93 -3.255 -9.063 -6.508 1.00 60.11 C ATOM 1322 C LYS A 93 -2.785 -7.619 -6.498 1.00 52.02 C ATOM 1323 O LYS A 93 -1.798 -7.297 -7.155 1.00 22.43 O ATOM 1324 CB LYS A 93 -4.477 -9.228 -7.426 1.00 33.12 C ATOM 1325 CG LYS A 93 -4.174 -8.990 -8.916 1.00 61.42 C ATOM 1326 CD LYS A 93 -4.357 -7.532 -9.377 1.00 22.42 C ATOM 1327 CE LYS A 93 -3.970 -7.336 -10.843 1.00 33.21 C ATOM 1328 NZ LYS A 93 -4.734 -8.208 -11.762 1.00 22.21 N ATOM 0 H LYS A 93 -4.566 -9.858 -5.096 1.00 44.32 H new ATOM 0 HA LYS A 93 -2.431 -9.671 -6.881 1.00 60.11 H new ATOM 0 HB2 LYS A 93 -4.878 -10.234 -7.303 1.00 33.12 H new ATOM 0 HB3 LYS A 93 -5.255 -8.534 -7.108 1.00 33.12 H new ATOM 0 HG2 LYS A 93 -3.148 -9.296 -9.119 1.00 61.42 H new ATOM 0 HG3 LYS A 93 -4.822 -9.631 -9.513 1.00 61.42 H new ATOM 0 HD2 LYS A 93 -5.396 -7.236 -9.235 1.00 22.42 H new ATOM 0 HD3 LYS A 93 -3.750 -6.876 -8.752 1.00 22.42 H new ATOM 0 HE2 LYS A 93 -4.132 -6.294 -11.120 1.00 33.21 H new ATOM 0 HE3 LYS A 93 -2.905 -7.536 -10.962 1.00 33.21 H new ATOM 0 HZ1 LYS A 93 -4.530 -7.939 -12.746 1.00 22.21 H new ATOM 0 HZ2 LYS A 93 -4.458 -9.199 -11.610 1.00 22.21 H new ATOM 0 HZ3 LYS A 93 -5.752 -8.100 -11.577 1.00 22.21 H new ATOM 1338 N VAL A 94 -3.531 -6.754 -5.817 1.00 35.54 N ATOM 1339 CA VAL A 94 -3.309 -5.317 -5.884 1.00 52.43 C ATOM 1340 C VAL A 94 -1.919 -5.013 -5.301 1.00 71.21 C ATOM 1341 O VAL A 94 -1.180 -4.204 -5.862 1.00 75.12 O ATOM 1342 CB VAL A 94 -4.483 -4.600 -5.182 1.00 64.51 C ATOM 1343 CG1 VAL A 94 -4.394 -3.073 -5.190 1.00 44.12 C ATOM 1344 CG2 VAL A 94 -5.828 -4.941 -5.846 1.00 35.30 C ATOM 0 H VAL A 94 -4.301 -7.029 -5.207 1.00 35.54 H new ATOM 0 HA VAL A 94 -3.299 -4.939 -6.906 1.00 52.43 H new ATOM 0 HB VAL A 94 -4.418 -4.960 -4.155 1.00 64.51 H new ATOM 0 HG11 VAL A 94 -5.260 -2.655 -4.676 1.00 44.12 H new ATOM 0 HG12 VAL A 94 -3.483 -2.759 -4.681 1.00 44.12 H new ATOM 0 HG13 VAL A 94 -4.376 -2.715 -6.219 1.00 44.12 H new ATOM 0 HG21 VAL A 94 -6.632 -4.420 -5.327 1.00 35.30 H new ATOM 0 HG22 VAL A 94 -5.808 -4.629 -6.890 1.00 35.30 H new ATOM 0 HG23 VAL A 94 -5.998 -6.016 -5.792 1.00 35.30 H new ATOM 1354 N LEU A 95 -1.518 -5.728 -4.241 1.00 41.22 N ATOM 1355 CA LEU A 95 -0.202 -5.593 -3.619 1.00 11.40 C ATOM 1356 C LEU A 95 0.905 -5.957 -4.611 1.00 75.22 C ATOM 1357 O LEU A 95 1.942 -5.303 -4.641 1.00 62.31 O ATOM 1358 CB LEU A 95 -0.077 -6.498 -2.379 1.00 21.12 C ATOM 1359 CG LEU A 95 -1.132 -6.287 -1.274 1.00 53.13 C ATOM 1360 CD1 LEU A 95 -1.192 -7.509 -0.352 1.00 4.04 C ATOM 1361 CD2 LEU A 95 -0.835 -5.050 -0.420 1.00 41.31 C ATOM 0 H LEU A 95 -2.110 -6.425 -3.788 1.00 41.22 H new ATOM 0 HA LEU A 95 -0.093 -4.552 -3.314 1.00 11.40 H new ATOM 0 HB2 LEU A 95 -0.126 -7.537 -2.706 1.00 21.12 H new ATOM 0 HB3 LEU A 95 0.911 -6.348 -1.943 1.00 21.12 H new ATOM 0 HG LEU A 95 -2.087 -6.142 -1.778 1.00 53.13 H new ATOM 0 HD11 LEU A 95 -1.941 -7.344 0.422 1.00 4.04 H new ATOM 0 HD12 LEU A 95 -1.460 -8.391 -0.934 1.00 4.04 H new ATOM 0 HD13 LEU A 95 -0.218 -7.663 0.112 1.00 4.04 H new ATOM 0 HD21 LEU A 95 -1.605 -4.942 0.344 1.00 41.31 H new ATOM 0 HD22 LEU A 95 0.138 -5.163 0.058 1.00 41.31 H new ATOM 0 HD23 LEU A 95 -0.827 -4.163 -1.054 1.00 41.31 H new ATOM 1372 N TYR A 96 0.690 -7.008 -5.408 1.00 54.03 N ATOM 1373 CA TYR A 96 1.652 -7.500 -6.387 1.00 11.32 C ATOM 1374 C TYR A 96 1.923 -6.416 -7.434 1.00 15.04 C ATOM 1375 O TYR A 96 3.077 -6.121 -7.733 1.00 24.33 O ATOM 1376 CB TYR A 96 1.125 -8.811 -7.008 1.00 31.41 C ATOM 1377 CG TYR A 96 2.149 -9.829 -7.500 1.00 2.04 C ATOM 1378 CD1 TYR A 96 3.448 -9.454 -7.904 1.00 20.12 C ATOM 1379 CD2 TYR A 96 1.778 -11.189 -7.560 1.00 73.54 C ATOM 1380 CE1 TYR A 96 4.356 -10.419 -8.372 1.00 20.11 C ATOM 1381 CE2 TYR A 96 2.687 -12.167 -8.004 1.00 73.13 C ATOM 1382 CZ TYR A 96 3.975 -11.775 -8.431 1.00 31.44 C ATOM 1383 OH TYR A 96 4.829 -12.691 -8.956 1.00 34.23 O ATOM 0 H TYR A 96 -0.175 -7.548 -5.387 1.00 54.03 H new ATOM 0 HA TYR A 96 2.604 -7.726 -5.908 1.00 11.32 H new ATOM 0 HB2 TYR A 96 0.494 -9.302 -6.267 1.00 31.41 H new ATOM 0 HB3 TYR A 96 0.483 -8.549 -7.849 1.00 31.41 H new ATOM 0 HD1 TYR A 96 3.747 -8.417 -7.853 1.00 20.12 H new ATOM 0 HD2 TYR A 96 0.783 -11.483 -7.261 1.00 73.54 H new ATOM 0 HE1 TYR A 96 5.346 -10.122 -8.686 1.00 20.11 H new ATOM 0 HE2 TYR A 96 2.402 -13.209 -8.018 1.00 73.13 H new ATOM 0 HH TYR A 96 4.417 -13.579 -8.922 1.00 34.23 H new ATOM 1392 N ASP A 97 0.872 -5.796 -7.977 1.00 13.42 N ATOM 1393 CA ASP A 97 1.029 -4.752 -8.997 1.00 13.00 C ATOM 1394 C ASP A 97 1.704 -3.510 -8.438 1.00 52.35 C ATOM 1395 O ASP A 97 2.514 -2.894 -9.130 1.00 74.15 O ATOM 1396 CB ASP A 97 -0.323 -4.382 -9.616 1.00 43.42 C ATOM 1397 CG ASP A 97 -0.176 -4.103 -11.112 1.00 33.13 C ATOM 1398 OD1 ASP A 97 -0.139 -5.080 -11.892 1.00 11.20 O ATOM 1399 OD2 ASP A 97 -0.071 -2.928 -11.532 1.00 34.33 O ATOM 0 H ASP A 97 -0.097 -5.998 -7.729 1.00 13.42 H new ATOM 0 HA ASP A 97 1.673 -5.162 -9.775 1.00 13.00 H new ATOM 0 HB2 ASP A 97 -1.034 -5.194 -9.461 1.00 43.42 H new ATOM 0 HB3 ASP A 97 -0.729 -3.503 -9.116 1.00 43.42 H new ATOM 1403 N LEU A 98 1.439 -3.164 -7.179 1.00 2.43 N ATOM 1404 CA LEU A 98 2.126 -2.069 -6.510 1.00 1.23 C ATOM 1405 C LEU A 98 3.608 -2.383 -6.424 1.00 61.24 C ATOM 1406 O LEU A 98 4.421 -1.591 -6.881 1.00 2.20 O ATOM 1407 CB LEU A 98 1.509 -1.817 -5.130 1.00 33.51 C ATOM 1408 CG LEU A 98 0.108 -1.203 -5.276 1.00 63.44 C ATOM 1409 CD1 LEU A 98 -0.675 -1.355 -3.977 1.00 35.11 C ATOM 1410 CD2 LEU A 98 0.202 0.278 -5.617 1.00 13.13 C ATOM 0 H LEU A 98 0.744 -3.635 -6.599 1.00 2.43 H new ATOM 0 HA LEU A 98 2.008 -1.151 -7.085 1.00 1.23 H new ATOM 0 HB2 LEU A 98 1.447 -2.753 -4.575 1.00 33.51 H new ATOM 0 HB3 LEU A 98 2.149 -1.148 -4.555 1.00 33.51 H new ATOM 0 HG LEU A 98 -0.404 -1.730 -6.081 1.00 63.44 H new ATOM 0 HD11 LEU A 98 -1.665 -0.915 -4.096 1.00 35.11 H new ATOM 0 HD12 LEU A 98 -0.774 -2.413 -3.734 1.00 35.11 H new ATOM 0 HD13 LEU A 98 -0.146 -0.846 -3.172 1.00 35.11 H new ATOM 0 HD21 LEU A 98 -0.801 0.693 -5.716 1.00 13.13 H new ATOM 0 HD22 LEU A 98 0.734 0.801 -4.823 1.00 13.13 H new ATOM 0 HD23 LEU A 98 0.740 0.402 -6.557 1.00 13.13 H new ATOM 1421 N ALA A 99 3.967 -3.580 -5.965 1.00 54.03 N ATOM 1422 CA ALA A 99 5.334 -4.098 -5.977 1.00 3.02 C ATOM 1423 C ALA A 99 5.908 -4.341 -7.385 1.00 54.25 C ATOM 1424 O ALA A 99 6.970 -4.958 -7.525 1.00 1.41 O ATOM 1425 CB ALA A 99 5.367 -5.384 -5.162 1.00 20.20 C ATOM 0 H ALA A 99 3.296 -4.235 -5.563 1.00 54.03 H new ATOM 0 HA ALA A 99 5.973 -3.332 -5.538 1.00 3.02 H new ATOM 0 HB1 ALA A 99 6.380 -5.787 -5.159 1.00 20.20 H new ATOM 0 HB2 ALA A 99 5.057 -5.174 -4.138 1.00 20.20 H new ATOM 0 HB3 ALA A 99 4.688 -6.113 -5.605 1.00 20.20 H new ATOM 1431 N SER A 100 5.212 -3.900 -8.430 1.00 54.35 N ATOM 1432 CA SER A 100 5.632 -3.906 -9.817 1.00 3.10 C ATOM 1433 C SER A 100 5.692 -2.484 -10.394 1.00 35.32 C ATOM 1434 O SER A 100 6.140 -2.324 -11.529 1.00 53.41 O ATOM 1435 CB SER A 100 4.673 -4.815 -10.600 1.00 13.13 C ATOM 1436 OG SER A 100 5.356 -5.935 -11.132 1.00 11.01 O ATOM 0 H SER A 100 4.279 -3.504 -8.316 1.00 54.35 H new ATOM 0 HA SER A 100 6.646 -4.298 -9.900 1.00 3.10 H new ATOM 0 HB2 SER A 100 3.870 -5.152 -9.945 1.00 13.13 H new ATOM 0 HB3 SER A 100 4.209 -4.250 -11.408 1.00 13.13 H new ATOM 0 HG SER A 100 4.724 -6.500 -11.625 1.00 11.01 H new ATOM 1441 N ASN A 101 5.249 -1.454 -9.660 1.00 15.10 N ATOM 1442 CA ASN A 101 5.249 -0.061 -10.129 1.00 12.01 C ATOM 1443 C ASN A 101 5.488 0.958 -8.990 1.00 74.43 C ATOM 1444 O ASN A 101 5.009 2.089 -9.085 1.00 61.44 O ATOM 1445 CB ASN A 101 3.910 0.265 -10.829 1.00 21.24 C ATOM 1446 CG ASN A 101 3.488 -0.679 -11.940 1.00 34.50 C ATOM 1447 OD1 ASN A 101 3.846 -0.530 -13.106 1.00 23.42 O ATOM 1448 ND2 ASN A 101 2.684 -1.682 -11.631 1.00 53.03 N ATOM 0 H ASN A 101 4.878 -1.565 -8.717 1.00 15.10 H new ATOM 0 HA ASN A 101 6.078 0.030 -10.831 1.00 12.01 H new ATOM 0 HB2 ASN A 101 3.124 0.280 -10.074 1.00 21.24 H new ATOM 0 HB3 ASN A 101 3.975 1.272 -11.241 1.00 21.24 H new ATOM 0 HD21 ASN A 101 2.367 -2.324 -12.358 1.00 53.03 H new ATOM 0 HD22 ASN A 101 2.381 -1.814 -10.666 1.00 53.03 H new ATOM 1454 N GLN A 102 6.152 0.603 -7.881 1.00 62.14 N ATOM 1455 CA GLN A 102 5.987 1.343 -6.619 1.00 34.11 C ATOM 1456 C GLN A 102 6.723 2.677 -6.623 1.00 43.41 C ATOM 1457 O GLN A 102 6.489 3.518 -5.756 1.00 41.33 O ATOM 1458 CB GLN A 102 6.385 0.516 -5.380 1.00 20.21 C ATOM 1459 CG GLN A 102 7.761 -0.166 -5.399 1.00 40.33 C ATOM 1460 CD GLN A 102 8.138 -0.682 -4.008 1.00 51.21 C ATOM 1461 OE1 GLN A 102 8.259 0.089 -3.057 1.00 75.54 O ATOM 1462 NE2 GLN A 102 8.295 -1.983 -3.827 1.00 3.43 N ATOM 0 H GLN A 102 6.801 -0.182 -7.830 1.00 62.14 H new ATOM 0 HA GLN A 102 4.919 1.548 -6.549 1.00 34.11 H new ATOM 0 HB2 GLN A 102 6.346 1.172 -4.510 1.00 20.21 H new ATOM 0 HB3 GLN A 102 5.629 -0.255 -5.232 1.00 20.21 H new ATOM 0 HG2 GLN A 102 7.750 -0.994 -6.107 1.00 40.33 H new ATOM 0 HG3 GLN A 102 8.516 0.540 -5.746 1.00 40.33 H new ATOM 0 HE21 GLN A 102 8.195 -2.623 -4.615 1.00 3.43 H new ATOM 0 HE22 GLN A 102 8.516 -2.346 -2.900 1.00 3.43 H new ATOM 1469 N VAL A 103 7.626 2.866 -7.578 1.00 73.12 N ATOM 1470 CA VAL A 103 8.389 4.085 -7.744 1.00 32.34 C ATOM 1471 C VAL A 103 7.647 5.004 -8.708 1.00 13.30 C ATOM 1472 O VAL A 103 7.540 6.196 -8.436 1.00 2.44 O ATOM 1473 CB VAL A 103 9.787 3.722 -8.261 1.00 3.41 C ATOM 1474 CG1 VAL A 103 10.689 4.946 -8.251 1.00 3.42 C ATOM 1475 CG2 VAL A 103 10.470 2.635 -7.424 1.00 74.52 C ATOM 0 H VAL A 103 7.849 2.154 -8.273 1.00 73.12 H new ATOM 0 HA VAL A 103 8.503 4.612 -6.797 1.00 32.34 H new ATOM 0 HB VAL A 103 9.642 3.344 -9.273 1.00 3.41 H new ATOM 0 HG11 VAL A 103 11.677 4.673 -8.620 1.00 3.42 H new ATOM 0 HG12 VAL A 103 10.263 5.717 -8.892 1.00 3.42 H new ATOM 0 HG13 VAL A 103 10.775 5.327 -7.233 1.00 3.42 H new ATOM 0 HG21 VAL A 103 11.455 2.421 -7.839 1.00 74.52 H new ATOM 0 HG22 VAL A 103 10.577 2.981 -6.396 1.00 74.52 H new ATOM 0 HG23 VAL A 103 9.865 1.729 -7.441 1.00 74.52 H new ATOM 1485 N ASP A 104 7.118 4.474 -9.818 1.00 2.11 N ATOM 1486 CA ASP A 104 6.456 5.310 -10.817 1.00 22.34 C ATOM 1487 C ASP A 104 5.193 5.929 -10.220 1.00 72.55 C ATOM 1488 O ASP A 104 4.944 7.131 -10.349 1.00 2.40 O ATOM 1489 CB ASP A 104 6.101 4.511 -12.079 1.00 62.22 C ATOM 1490 CG ASP A 104 5.523 5.423 -13.168 1.00 14.11 C ATOM 1491 OD1 ASP A 104 4.319 5.766 -13.129 1.00 15.31 O ATOM 1492 OD2 ASP A 104 6.291 5.800 -14.086 1.00 11.32 O ATOM 0 H ASP A 104 7.137 3.479 -10.042 1.00 2.11 H new ATOM 0 HA ASP A 104 7.150 6.099 -11.107 1.00 22.34 H new ATOM 0 HB2 ASP A 104 6.991 4.008 -12.457 1.00 62.22 H new ATOM 0 HB3 ASP A 104 5.378 3.734 -11.830 1.00 62.22 H new ATOM 1496 N LEU A 105 4.425 5.101 -9.506 1.00 62.12 N ATOM 1497 CA LEU A 105 3.218 5.522 -8.812 1.00 40.32 C ATOM 1498 C LEU A 105 3.535 6.430 -7.623 1.00 21.23 C ATOM 1499 O LEU A 105 2.637 7.120 -7.158 1.00 11.22 O ATOM 1500 CB LEU A 105 2.413 4.305 -8.327 1.00 75.24 C ATOM 1501 CG LEU A 105 1.965 3.333 -9.432 1.00 15.32 C ATOM 1502 CD1 LEU A 105 1.390 2.044 -8.833 1.00 43.42 C ATOM 1503 CD2 LEU A 105 0.957 3.979 -10.382 1.00 71.44 C ATOM 0 H LEU A 105 4.632 4.108 -9.396 1.00 62.12 H new ATOM 0 HA LEU A 105 2.621 6.088 -9.527 1.00 40.32 H new ATOM 0 HB2 LEU A 105 3.016 3.755 -7.604 1.00 75.24 H new ATOM 0 HB3 LEU A 105 1.529 4.662 -7.799 1.00 75.24 H new ATOM 0 HG LEU A 105 2.851 3.078 -10.013 1.00 15.32 H new ATOM 0 HD11 LEU A 105 1.081 1.375 -9.637 1.00 43.42 H new ATOM 0 HD12 LEU A 105 2.151 1.554 -8.225 1.00 43.42 H new ATOM 0 HD13 LEU A 105 0.528 2.285 -8.210 1.00 43.42 H new ATOM 0 HD21 LEU A 105 0.666 3.260 -11.148 1.00 71.44 H new ATOM 0 HD22 LEU A 105 0.075 4.289 -9.821 1.00 71.44 H new ATOM 0 HD23 LEU A 105 1.410 4.850 -10.856 1.00 71.44 H new ATOM 1514 N TRP A 106 4.772 6.442 -7.118 1.00 3.13 N ATOM 1515 CA TRP A 106 5.187 7.394 -6.098 1.00 72.34 C ATOM 1516 C TRP A 106 5.466 8.732 -6.769 1.00 52.34 C ATOM 1517 O TRP A 106 4.851 9.737 -6.409 1.00 11.44 O ATOM 1518 CB TRP A 106 6.389 6.853 -5.317 1.00 54.32 C ATOM 1519 CG TRP A 106 6.772 7.611 -4.085 1.00 31.42 C ATOM 1520 CD1 TRP A 106 7.999 8.105 -3.812 1.00 63.13 C ATOM 1521 CD2 TRP A 106 5.941 7.959 -2.938 1.00 72.13 C ATOM 1522 NE1 TRP A 106 8.010 8.646 -2.542 1.00 32.44 N ATOM 1523 CE2 TRP A 106 6.753 8.629 -1.978 1.00 23.50 C ATOM 1524 CE3 TRP A 106 4.575 7.804 -2.623 1.00 53.32 C ATOM 1525 CZ2 TRP A 106 6.239 9.113 -0.768 1.00 51.35 C ATOM 1526 CZ3 TRP A 106 4.044 8.286 -1.417 1.00 4.43 C ATOM 1527 CH2 TRP A 106 4.877 8.932 -0.483 1.00 34.42 C ATOM 0 H TRP A 106 5.506 5.794 -7.406 1.00 3.13 H new ATOM 0 HA TRP A 106 4.394 7.543 -5.365 1.00 72.34 H new ATOM 0 HB2 TRP A 106 6.177 5.822 -5.033 1.00 54.32 H new ATOM 0 HB3 TRP A 106 7.249 6.829 -5.986 1.00 54.32 H new ATOM 0 HD1 TRP A 106 8.843 8.081 -4.485 1.00 63.13 H new ATOM 0 HE1 TRP A 106 8.843 9.012 -2.080 1.00 32.44 H new ATOM 0 HE3 TRP A 106 3.924 7.304 -3.325 1.00 53.32 H new ATOM 0 HZ2 TRP A 106 6.883 9.619 -0.064 1.00 51.35 H new ATOM 0 HZ3 TRP A 106 2.993 8.161 -1.204 1.00 4.43 H new ATOM 0 HH2 TRP A 106 4.468 9.288 0.451 1.00 34.42 H new ATOM 1537 N GLU A 107 6.313 8.741 -7.804 1.00 34.11 N ATOM 1538 CA GLU A 107 6.625 9.920 -8.614 1.00 34.42 C ATOM 1539 C GLU A 107 5.356 10.617 -9.116 1.00 60.53 C ATOM 1540 O GLU A 107 5.362 11.830 -9.343 1.00 62.13 O ATOM 1541 CB GLU A 107 7.503 9.516 -9.808 1.00 15.22 C ATOM 1542 CG GLU A 107 8.991 9.803 -9.564 1.00 33.43 C ATOM 1543 CD GLU A 107 9.314 11.301 -9.460 1.00 21.22 C ATOM 1544 OE1 GLU A 107 9.310 12.005 -10.488 1.00 40.34 O ATOM 1545 OE2 GLU A 107 9.544 11.777 -8.328 1.00 52.15 O ATOM 0 H GLU A 107 6.813 7.906 -8.108 1.00 34.11 H new ATOM 0 HA GLU A 107 7.164 10.624 -7.981 1.00 34.42 H new ATOM 0 HB2 GLU A 107 7.369 8.453 -10.011 1.00 15.22 H new ATOM 0 HB3 GLU A 107 7.173 10.054 -10.697 1.00 15.22 H new ATOM 0 HG2 GLU A 107 9.303 9.307 -8.645 1.00 33.43 H new ATOM 0 HG3 GLU A 107 9.575 9.368 -10.375 1.00 33.43 H new ATOM 1550 N ASN A 108 4.270 9.858 -9.263 1.00 31.44 N ATOM 1551 CA ASN A 108 2.955 10.367 -9.578 1.00 3.44 C ATOM 1552 C ASN A 108 2.427 11.348 -8.538 1.00 1.02 C ATOM 1553 O ASN A 108 1.981 12.431 -8.913 1.00 21.50 O ATOM 1554 CB ASN A 108 1.963 9.216 -9.751 1.00 60.35 C ATOM 1555 CG ASN A 108 0.706 9.710 -10.435 1.00 75.45 C ATOM 1556 OD1 ASN A 108 -0.378 9.689 -9.853 1.00 2.02 O ATOM 1557 ND2 ASN A 108 0.837 10.142 -11.678 1.00 63.44 N ATOM 0 H ASN A 108 4.292 8.843 -9.161 1.00 31.44 H new ATOM 0 HA ASN A 108 3.056 10.916 -10.514 1.00 3.44 H new ATOM 0 HB2 ASN A 108 2.418 8.419 -10.340 1.00 60.35 H new ATOM 0 HB3 ASN A 108 1.714 8.791 -8.779 1.00 60.35 H new ATOM 0 HD21 ASN A 108 0.021 10.475 -12.191 1.00 63.44 H new ATOM 0 HD22 ASN A 108 1.754 10.143 -12.124 1.00 63.44 H new ATOM 1563 N TYR A 109 2.458 11.007 -7.245 1.00 2.10 N ATOM 1564 CA TYR A 109 1.846 11.855 -6.235 1.00 71.32 C ATOM 1565 C TYR A 109 2.769 13.041 -6.051 1.00 1.30 C ATOM 1566 O TYR A 109 2.326 14.181 -6.002 1.00 62.22 O ATOM 1567 CB TYR A 109 1.687 11.082 -4.923 1.00 33.53 C ATOM 1568 CG TYR A 109 0.686 9.946 -4.971 1.00 55.31 C ATOM 1569 CD1 TYR A 109 -0.698 10.215 -4.973 1.00 63.54 C ATOM 1570 CD2 TYR A 109 1.142 8.619 -4.934 1.00 15.13 C ATOM 1571 CE1 TYR A 109 -1.621 9.154 -4.934 1.00 21.23 C ATOM 1572 CE2 TYR A 109 0.227 7.555 -4.889 1.00 40.35 C ATOM 1573 CZ TYR A 109 -1.161 7.817 -4.879 1.00 54.21 C ATOM 1574 OH TYR A 109 -2.044 6.787 -4.796 1.00 71.42 O ATOM 0 H TYR A 109 2.896 10.160 -6.884 1.00 2.10 H new ATOM 0 HA TYR A 109 0.852 12.182 -6.539 1.00 71.32 H new ATOM 0 HB2 TYR A 109 2.658 10.680 -4.635 1.00 33.53 H new ATOM 0 HB3 TYR A 109 1.386 11.779 -4.141 1.00 33.53 H new ATOM 0 HD1 TYR A 109 -1.050 11.236 -5.004 1.00 63.54 H new ATOM 0 HD2 TYR A 109 2.203 8.415 -4.940 1.00 15.13 H new ATOM 0 HE1 TYR A 109 -2.681 9.360 -4.946 1.00 21.23 H new ATOM 0 HE2 TYR A 109 0.584 6.536 -4.862 1.00 40.35 H new ATOM 0 HH TYR A 109 -1.715 6.030 -5.325 1.00 71.42 H new ATOM 1583 N LEU A 110 4.070 12.765 -6.028 1.00 64.54 N ATOM 1584 CA LEU A 110 5.138 13.719 -5.852 1.00 31.34 C ATOM 1585 C LEU A 110 5.056 14.833 -6.898 1.00 12.12 C ATOM 1586 O LEU A 110 5.248 16.003 -6.548 1.00 71.45 O ATOM 1587 CB LEU A 110 6.444 12.916 -5.948 1.00 63.35 C ATOM 1588 CG LEU A 110 6.818 12.197 -4.639 1.00 42.11 C ATOM 1589 CD1 LEU A 110 5.831 11.277 -3.913 1.00 60.44 C ATOM 1590 CD2 LEU A 110 8.160 11.481 -4.787 1.00 60.25 C ATOM 0 H LEU A 110 4.417 11.812 -6.139 1.00 64.54 H new ATOM 0 HA LEU A 110 5.075 14.225 -4.889 1.00 31.34 H new ATOM 0 HB2 LEU A 110 6.350 12.178 -6.745 1.00 63.35 H new ATOM 0 HB3 LEU A 110 7.255 13.588 -6.229 1.00 63.35 H new ATOM 0 HG LEU A 110 6.831 13.054 -3.965 1.00 42.11 H new ATOM 0 HD11 LEU A 110 6.300 10.876 -3.015 1.00 60.44 H new ATOM 0 HD12 LEU A 110 4.942 11.843 -3.636 1.00 60.44 H new ATOM 0 HD13 LEU A 110 5.547 10.456 -4.571 1.00 60.44 H new ATOM 0 HD21 LEU A 110 8.409 10.978 -3.853 1.00 60.25 H new ATOM 0 HD22 LEU A 110 8.093 10.745 -5.589 1.00 60.25 H new ATOM 0 HD23 LEU A 110 8.936 12.208 -5.026 1.00 60.25 H new ATOM 1601 N ALA A 111 4.727 14.501 -8.151 1.00 3.10 N ATOM 1602 CA ALA A 111 4.354 15.476 -9.166 1.00 12.04 C ATOM 1603 C ALA A 111 3.026 16.145 -8.818 1.00 51.21 C ATOM 1604 O ALA A 111 2.997 17.338 -8.512 1.00 40.44 O ATOM 1605 CB ALA A 111 4.303 14.814 -10.548 1.00 0.13 C ATOM 0 H ALA A 111 4.714 13.538 -8.486 1.00 3.10 H new ATOM 0 HA ALA A 111 5.115 16.256 -9.194 1.00 12.04 H new ATOM 0 HB1 ALA A 111 4.023 15.555 -11.296 1.00 0.13 H new ATOM 0 HB2 ALA A 111 5.283 14.405 -10.792 1.00 0.13 H new ATOM 0 HB3 ALA A 111 3.566 14.011 -10.540 1.00 0.13 H new ATOM 1611 N ARG A 112 1.912 15.407 -8.887 1.00 3.24 N ATOM 1612 CA ARG A 112 0.578 16.016 -8.922 1.00 63.14 C ATOM 1613 C ARG A 112 0.236 16.787 -7.647 1.00 75.51 C ATOM 1614 O ARG A 112 -0.605 17.679 -7.686 1.00 32.43 O ATOM 1615 CB ARG A 112 -0.487 14.959 -9.253 1.00 62.10 C ATOM 1616 CG ARG A 112 -0.215 14.264 -10.602 1.00 14.02 C ATOM 1617 CD ARG A 112 -1.500 13.820 -11.298 1.00 4.25 C ATOM 1618 NE ARG A 112 -2.095 14.931 -12.056 1.00 55.21 N ATOM 1619 CZ ARG A 112 -3.367 15.017 -12.460 1.00 43.41 C ATOM 1620 NH1 ARG A 112 -4.260 14.087 -12.137 1.00 31.44 N ATOM 1621 NH2 ARG A 112 -3.758 16.046 -13.199 1.00 15.04 N ATOM 0 H ARG A 112 1.908 14.388 -8.920 1.00 3.24 H new ATOM 0 HA ARG A 112 0.587 16.759 -9.719 1.00 63.14 H new ATOM 0 HB2 ARG A 112 -0.514 14.212 -8.460 1.00 62.10 H new ATOM 0 HB3 ARG A 112 -1.469 15.431 -9.280 1.00 62.10 H new ATOM 0 HG2 ARG A 112 0.332 14.945 -11.255 1.00 14.02 H new ATOM 0 HG3 ARG A 112 0.425 13.397 -10.438 1.00 14.02 H new ATOM 0 HD2 ARG A 112 -1.286 12.989 -11.970 1.00 4.25 H new ATOM 0 HD3 ARG A 112 -2.213 13.456 -10.558 1.00 4.25 H new ATOM 0 HE ARG A 112 -1.480 15.709 -12.296 1.00 55.21 H new ATOM 0 HH11 ARG A 112 -3.980 13.287 -11.570 1.00 31.44 H new ATOM 0 HH12 ARG A 112 -5.225 14.174 -12.456 1.00 31.44 H new ATOM 0 HH21 ARG A 112 -3.089 16.771 -13.459 1.00 15.04 H new ATOM 0 HH22 ARG A 112 -4.728 16.113 -13.508 1.00 15.04 H new ATOM 1632 N LEU A 113 0.925 16.524 -6.541 1.00 13.01 N ATOM 1633 CA LEU A 113 0.935 17.312 -5.319 1.00 12.10 C ATOM 1634 C LEU A 113 1.247 18.767 -5.631 1.00 53.42 C ATOM 1635 O LEU A 113 0.512 19.663 -5.212 1.00 51.13 O ATOM 1636 CB LEU A 113 1.972 16.699 -4.365 1.00 52.33 C ATOM 1637 CG LEU A 113 2.383 17.570 -3.172 1.00 14.21 C ATOM 1638 CD1 LEU A 113 1.213 18.088 -2.356 1.00 32.30 C ATOM 1639 CD2 LEU A 113 3.236 16.750 -2.210 1.00 11.01 C ATOM 0 H LEU A 113 1.528 15.704 -6.473 1.00 13.01 H new ATOM 0 HA LEU A 113 -0.045 17.294 -4.842 1.00 12.10 H new ATOM 0 HB2 LEU A 113 1.575 15.759 -3.983 1.00 52.33 H new ATOM 0 HB3 LEU A 113 2.867 16.457 -4.939 1.00 52.33 H new ATOM 0 HG LEU A 113 2.915 18.417 -3.605 1.00 14.21 H new ATOM 0 HD11 LEU A 113 1.585 18.695 -1.531 1.00 32.30 H new ATOM 0 HD12 LEU A 113 0.567 18.695 -2.991 1.00 32.30 H new ATOM 0 HD13 LEU A 113 0.645 17.246 -1.960 1.00 32.30 H new ATOM 0 HD21 LEU A 113 3.527 17.371 -1.363 1.00 11.01 H new ATOM 0 HD22 LEU A 113 2.662 15.895 -1.853 1.00 11.01 H new ATOM 0 HD23 LEU A 113 4.129 16.398 -2.726 1.00 11.01 H new ATOM 1650 N ARG A 114 2.340 19.031 -6.348 1.00 42.14 N ATOM 1651 CA ARG A 114 2.722 20.405 -6.658 1.00 60.42 C ATOM 1652 C ARG A 114 1.646 21.086 -7.497 1.00 21.22 C ATOM 1653 O ARG A 114 1.343 22.251 -7.246 1.00 21.43 O ATOM 1654 CB ARG A 114 4.067 20.447 -7.393 1.00 3.22 C ATOM 1655 CG ARG A 114 5.244 20.289 -6.428 1.00 44.35 C ATOM 1656 CD ARG A 114 6.545 20.107 -7.213 1.00 73.25 C ATOM 1657 NE ARG A 114 7.676 20.793 -6.569 1.00 12.24 N ATOM 1658 CZ ARG A 114 8.578 20.292 -5.720 1.00 75.11 C ATOM 1659 NH1 ARG A 114 8.439 19.074 -5.212 1.00 13.43 N ATOM 1660 NH2 ARG A 114 9.603 21.061 -5.378 1.00 60.22 N ATOM 0 H ARG A 114 2.969 18.319 -6.720 1.00 42.14 H new ATOM 0 HA ARG A 114 2.826 20.944 -5.716 1.00 60.42 H new ATOM 0 HB2 ARG A 114 4.099 19.653 -8.139 1.00 3.22 H new ATOM 0 HB3 ARG A 114 4.160 21.392 -7.929 1.00 3.22 H new ATOM 0 HG2 ARG A 114 5.318 21.166 -5.785 1.00 44.35 H new ATOM 0 HG3 ARG A 114 5.079 19.430 -5.778 1.00 44.35 H new ATOM 0 HD2 ARG A 114 6.769 19.044 -7.303 1.00 73.25 H new ATOM 0 HD3 ARG A 114 6.415 20.492 -8.224 1.00 73.25 H new ATOM 0 HE ARG A 114 7.786 21.780 -6.801 1.00 12.24 H new ATOM 0 HH11 ARG A 114 7.633 18.503 -5.468 1.00 13.43 H new ATOM 0 HH12 ARG A 114 9.138 18.708 -4.565 1.00 13.43 H new ATOM 0 HH21 ARG A 114 9.684 22.003 -5.761 1.00 60.22 H new ATOM 0 HH22 ARG A 114 10.310 20.711 -4.732 1.00 60.22 H new ATOM 1671 N ALA A 115 1.040 20.348 -8.428 1.00 11.24 N ATOM 1672 CA ALA A 115 -0.030 20.823 -9.289 1.00 1.44 C ATOM 1673 C ALA A 115 -1.326 21.075 -8.510 1.00 55.40 C ATOM 1674 O ALA A 115 -2.248 21.668 -9.072 1.00 14.02 O ATOM 1675 CB ALA A 115 -0.267 19.782 -10.390 1.00 54.33 C ATOM 0 H ALA A 115 1.292 19.375 -8.604 1.00 11.24 H new ATOM 0 HA ALA A 115 0.269 21.777 -9.723 1.00 1.44 H new ATOM 0 HB1 ALA A 115 -1.068 20.122 -11.046 1.00 54.33 H new ATOM 0 HB2 ALA A 115 0.647 19.651 -10.970 1.00 54.33 H new ATOM 0 HB3 ALA A 115 -0.548 18.831 -9.937 1.00 54.33 H new ATOM 1681 N ALA A 116 -1.427 20.638 -7.253 1.00 0.14 N ATOM 1682 CA ALA A 116 -2.649 20.569 -6.493 1.00 51.01 C ATOM 1683 C ALA A 116 -2.503 21.203 -5.111 1.00 43.21 C ATOM 1684 O ALA A 116 -3.369 21.018 -4.277 1.00 3.35 O ATOM 1685 CB ALA A 116 -3.054 19.105 -6.344 1.00 43.41 C ATOM 0 H ALA A 116 -0.617 20.311 -6.726 1.00 0.14 H new ATOM 0 HA ALA A 116 -3.415 21.129 -7.029 1.00 51.01 H new ATOM 0 HB1 ALA A 116 -3.978 19.040 -5.770 1.00 43.41 H new ATOM 0 HB2 ALA A 116 -3.208 18.668 -7.331 1.00 43.41 H new ATOM 0 HB3 ALA A 116 -2.265 18.560 -5.825 1.00 43.41 H new ATOM 1691 N LYS A 117 -1.407 21.966 -4.884 1.00 75.53 N ATOM 1692 CA LYS A 117 -1.230 22.886 -3.761 1.00 14.03 C ATOM 1693 C LYS A 117 -1.690 22.285 -2.426 1.00 64.51 C ATOM 1694 O LYS A 117 -2.463 22.892 -1.691 1.00 42.22 O ATOM 1695 CB LYS A 117 -1.769 24.304 -4.078 1.00 52.43 C ATOM 1696 CG LYS A 117 -3.196 24.297 -4.588 1.00 33.35 C ATOM 1697 CD LYS A 117 -3.297 24.414 -6.119 1.00 13.02 C ATOM 1698 CE LYS A 117 -4.764 24.277 -6.526 1.00 33.33 C ATOM 1699 NZ LYS A 117 -4.970 24.485 -7.973 1.00 12.21 N ATOM 0 H LYS A 117 -0.599 21.949 -5.507 1.00 75.53 H new ATOM 0 HA LYS A 117 -0.159 23.033 -3.618 1.00 14.03 H new ATOM 0 HB2 LYS A 117 -1.714 24.917 -3.178 1.00 52.43 H new ATOM 0 HB3 LYS A 117 -1.126 24.773 -4.823 1.00 52.43 H new ATOM 0 HG2 LYS A 117 -3.684 23.376 -4.268 1.00 33.35 H new ATOM 0 HG3 LYS A 117 -3.742 25.122 -4.131 1.00 33.35 H new ATOM 0 HD2 LYS A 117 -2.901 25.373 -6.451 1.00 13.02 H new ATOM 0 HD3 LYS A 117 -2.698 23.639 -6.597 1.00 13.02 H new ATOM 0 HE2 LYS A 117 -5.124 23.286 -6.250 1.00 33.33 H new ATOM 0 HE3 LYS A 117 -5.361 24.999 -5.970 1.00 33.33 H new ATOM 0 HZ1 LYS A 117 -5.980 24.382 -8.198 1.00 12.21 H new ATOM 0 HZ2 LYS A 117 -4.653 25.440 -8.235 1.00 12.21 H new ATOM 0 HZ3 LYS A 117 -4.422 23.780 -8.506 1.00 12.21 H new ATOM 1709 N ALA A 118 -1.241 21.050 -2.161 1.00 22.51 N ATOM 1710 CA ALA A 118 -1.740 20.224 -1.063 1.00 62.13 C ATOM 1711 C ALA A 118 -0.678 20.059 0.031 1.00 33.41 C ATOM 1712 O ALA A 118 0.438 20.569 -0.101 1.00 44.32 O ATOM 1713 CB ALA A 118 -2.214 18.873 -1.613 1.00 44.10 C ATOM 0 H ALA A 118 -0.513 20.595 -2.712 1.00 22.51 H new ATOM 0 HA ALA A 118 -2.591 20.721 -0.598 1.00 62.13 H new ATOM 0 HB1 ALA A 118 -2.586 18.257 -0.794 1.00 44.10 H new ATOM 0 HB2 ALA A 118 -3.012 19.035 -2.337 1.00 44.10 H new ATOM 0 HB3 ALA A 118 -1.381 18.365 -2.099 1.00 44.10 H new ATOM 1719 N SER A 119 -1.011 19.366 1.122 1.00 53.21 N ATOM 1720 CA SER A 119 -0.092 19.171 2.241 1.00 73.52 C ATOM 1721 C SER A 119 1.147 18.382 1.815 1.00 73.55 C ATOM 1722 O SER A 119 1.122 17.595 0.869 1.00 74.55 O ATOM 1723 CB SER A 119 -0.791 18.451 3.397 1.00 54.43 C ATOM 1724 OG SER A 119 -1.971 19.148 3.775 1.00 71.11 O ATOM 0 H SER A 119 -1.922 18.926 1.253 1.00 53.21 H new ATOM 0 HA SER A 119 0.227 20.158 2.576 1.00 73.52 H new ATOM 0 HB2 SER A 119 -1.042 17.433 3.101 1.00 54.43 H new ATOM 0 HB3 SER A 119 -0.116 18.378 4.249 1.00 54.43 H new ATOM 0 HG SER A 119 -2.408 18.675 4.514 1.00 71.11 H new ATOM 1729 N ARG A 120 2.244 18.556 2.551 1.00 21.23 N ATOM 1730 CA ARG A 120 3.508 17.867 2.341 1.00 52.11 C ATOM 1731 C ARG A 120 3.928 17.344 3.701 1.00 72.35 C ATOM 1732 O ARG A 120 4.728 17.985 4.391 1.00 4.24 O ATOM 1733 CB ARG A 120 4.560 18.834 1.744 1.00 33.11 C ATOM 1734 CG ARG A 120 4.153 19.446 0.396 1.00 35.21 C ATOM 1735 CD ARG A 120 3.655 20.897 0.448 1.00 64.11 C ATOM 1736 NE ARG A 120 4.716 21.881 0.719 1.00 43.25 N ATOM 1737 CZ ARG A 120 5.633 22.346 -0.139 1.00 53.05 C ATOM 1738 NH1 ARG A 120 5.820 21.769 -1.321 1.00 23.13 N ATOM 1739 NH2 ARG A 120 6.386 23.388 0.197 1.00 15.12 N ATOM 0 H ARG A 120 2.274 19.205 3.337 1.00 21.23 H new ATOM 0 HA ARG A 120 3.413 17.048 1.628 1.00 52.11 H new ATOM 0 HB2 ARG A 120 4.744 19.639 2.456 1.00 33.11 H new ATOM 0 HB3 ARG A 120 5.501 18.298 1.619 1.00 33.11 H new ATOM 0 HG2 ARG A 120 5.009 19.399 -0.277 1.00 35.21 H new ATOM 0 HG3 ARG A 120 3.369 18.828 -0.041 1.00 35.21 H new ATOM 0 HD2 ARG A 120 3.179 21.142 -0.502 1.00 64.11 H new ATOM 0 HD3 ARG A 120 2.889 20.981 1.219 1.00 64.11 H new ATOM 0 HE ARG A 120 4.757 22.251 1.669 1.00 43.25 H new ATOM 0 HH11 ARG A 120 5.261 20.959 -1.587 1.00 23.13 H new ATOM 0 HH12 ARG A 120 6.523 22.136 -1.962 1.00 23.13 H new ATOM 0 HH21 ARG A 120 6.265 23.832 1.107 1.00 15.12 H new ATOM 0 HH22 ARG A 120 7.085 23.744 -0.455 1.00 15.12 H new ATOM 1750 N GLU A 121 3.310 16.244 4.121 1.00 11.40 N ATOM 1751 CA GLU A 121 3.713 15.528 5.332 1.00 55.41 C ATOM 1752 C GLU A 121 5.218 15.172 5.276 1.00 32.22 C ATOM 1753 O GLU A 121 5.806 15.171 4.185 1.00 2.21 O ATOM 1754 CB GLU A 121 2.850 14.275 5.540 1.00 51.42 C ATOM 1755 CG GLU A 121 1.325 14.480 5.526 1.00 31.32 C ATOM 1756 CD GLU A 121 0.769 15.751 6.174 1.00 13.14 C ATOM 1757 OE1 GLU A 121 1.343 16.290 7.151 1.00 51.21 O ATOM 1758 OE2 GLU A 121 -0.284 16.235 5.704 1.00 21.31 O ATOM 0 H GLU A 121 2.518 15.823 3.635 1.00 11.40 H new ATOM 0 HA GLU A 121 3.554 16.183 6.189 1.00 55.41 H new ATOM 0 HB2 GLU A 121 3.104 13.553 4.764 1.00 51.42 H new ATOM 0 HB3 GLU A 121 3.125 13.826 6.495 1.00 51.42 H new ATOM 0 HG2 GLU A 121 0.994 14.461 4.488 1.00 31.32 H new ATOM 0 HG3 GLU A 121 0.868 13.624 6.022 1.00 31.32 H new ATOM 1763 N PRO A 122 5.856 14.902 6.427 1.00 60.25 N ATOM 1764 CA PRO A 122 7.287 14.625 6.483 1.00 72.14 C ATOM 1765 C PRO A 122 7.655 13.222 6.008 1.00 0.42 C ATOM 1766 O PRO A 122 7.198 12.247 6.596 1.00 20.32 O ATOM 1767 CB PRO A 122 7.673 14.783 7.955 1.00 24.50 C ATOM 1768 CG PRO A 122 6.376 14.568 8.728 1.00 51.23 C ATOM 1769 CD PRO A 122 5.291 15.017 7.766 1.00 14.10 C ATOM 0 HA PRO A 122 7.817 15.306 5.817 1.00 72.14 H new ATOM 0 HB2 PRO A 122 8.431 14.055 8.245 1.00 24.50 H new ATOM 0 HB3 PRO A 122 8.090 15.771 8.150 1.00 24.50 H new ATOM 0 HG2 PRO A 122 6.250 13.523 9.011 1.00 51.23 H new ATOM 0 HG3 PRO A 122 6.359 15.152 9.648 1.00 51.23 H new ATOM 0 HD2 PRO A 122 4.401 14.396 7.867 1.00 14.10 H new ATOM 0 HD3 PRO A 122 4.988 16.043 7.973 1.00 14.10 H new