USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 877 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 5 MET CE :methyl -145:sc= -0.126 (180deg=-0.541) USER MOD Set 1.2: A 90 SER OG : rot -108:sc= -1.82 USER MOD Set 2.1: A 65 CYS SG : rot 180:sc= -0.0487 USER MOD Set 2.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -2.92! C(o=-2.9!,f=-4.2!) USER MOD Single : A 11 CYS SG : rot -82:sc= -0.0511 USER MOD Single : A 16 ASN : amide:sc= -0.0716 X(o=-0.072,f=-0.072) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 63:sc= 1.04 USER MOD Single : A 25 LYS NZ :NH3+ -173:sc= 0.524 (180deg=0.279) USER MOD Single : A 30 LYS NZ :NH3+ -136:sc= -0.56 (180deg=-3.61!) USER MOD Single : A 33 ASN : amide:sc=-0.00172 X(o=-0.0017,f=-0.0017) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.37 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -164:sc= -2.55 (180deg=-3.27!) USER MOD Single : A 43 LYS NZ :NH3+ -126:sc= -0.665 (180deg=-4.53!) USER MOD Single : A 45 ASN : amide:sc= -0.34 K(o=-0.34,f=-1.9) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 58 CYS SG : rot 180:sc= -0.657 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.0094) USER MOD Single : A 70 GLN : amide:sc= -0.933 K(o=-0.93,f=-1.5!) USER MOD Single : A 75 CYS SG : rot 160:sc= -0.065 USER MOD Single : A 78 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.022) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -169:sc= 0 (180deg=-0.0764) USER MOD Single : A 86 THR OG1 : rot 95:sc= 1.2 USER MOD Single : A 87 TYR OH : rot -120:sc= -1.73 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 166:sc= -0.0712 (180deg=-0.37) USER MOD Single : A 97 LYS NZ :NH3+ -165:sc= -0.0367 (180deg=-0.132) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.264 USER MOD Single : A 109 HIS : no HD1:sc= -0.576 K(o=-0.58,f=-1.1) USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 3.135 -2.323 0.092 1.00 22.10 N ATOM 19 CA ALA A 2 4.079 -3.387 -0.227 1.00 33.43 C ATOM 20 C ALA A 2 3.770 -4.651 0.568 1.00 35.44 C ATOM 21 O ALA A 2 4.073 -4.737 1.758 1.00 33.43 O ATOM 22 CB ALA A 2 5.504 -2.928 0.043 1.00 52.54 C ATOM 0 HA ALA A 2 3.979 -3.621 -1.287 1.00 33.43 H new ATOM 0 HB1 ALA A 2 6.198 -3.733 -0.200 1.00 52.54 H new ATOM 0 HB2 ALA A 2 5.729 -2.057 -0.573 1.00 52.54 H new ATOM 0 HB3 ALA A 2 5.608 -2.664 1.096 1.00 52.54 H new ATOM 28 N SER A 3 3.164 -5.630 -0.097 1.00 12.14 N ATOM 29 CA SER A 3 2.809 -6.888 0.550 1.00 63.12 C ATOM 30 C SER A 3 1.759 -6.665 1.634 1.00 43.11 C ATOM 31 O SER A 3 1.683 -5.591 2.229 1.00 43.34 O ATOM 32 CB SER A 3 4.052 -7.543 1.155 1.00 5.10 C ATOM 33 OG SER A 3 4.129 -8.914 0.805 1.00 54.25 O ATOM 0 H SER A 3 2.909 -5.576 -1.083 1.00 12.14 H new ATOM 0 HA SER A 3 2.389 -7.551 -0.206 1.00 63.12 H new ATOM 0 HB2 SER A 3 4.946 -7.025 0.807 1.00 5.10 H new ATOM 0 HB3 SER A 3 4.028 -7.442 2.240 1.00 5.10 H new ATOM 0 HG SER A 3 4.933 -9.308 1.203 1.00 54.25 H new ATOM 39 N GLY A 4 0.950 -7.690 1.885 1.00 1.33 N ATOM 40 CA GLY A 4 -0.085 -7.586 2.897 1.00 73.40 C ATOM 41 C GLY A 4 -0.955 -6.359 2.713 1.00 1.43 C ATOM 42 O GLY A 4 -1.259 -5.656 3.677 1.00 51.35 O ATOM 0 H GLY A 4 0.993 -8.590 1.406 1.00 1.33 H new ATOM 0 HA2 GLY A 4 -0.710 -8.479 2.866 1.00 73.40 H new ATOM 0 HA3 GLY A 4 0.378 -7.555 3.883 1.00 73.40 H new ATOM 46 N MET A 5 -1.355 -6.099 1.473 1.00 42.22 N ATOM 47 CA MET A 5 -2.194 -4.946 1.166 1.00 34.45 C ATOM 48 C MET A 5 -3.492 -4.991 1.967 1.00 74.44 C ATOM 49 O MET A 5 -3.733 -5.930 2.725 1.00 52.12 O ATOM 50 CB MET A 5 -2.506 -4.899 -0.331 1.00 1.14 C ATOM 51 CG MET A 5 -1.278 -5.060 -1.212 1.00 72.42 C ATOM 52 SD MET A 5 0.020 -3.873 -0.819 1.00 42.41 S ATOM 53 CE MET A 5 -0.853 -2.326 -1.054 1.00 31.43 C ATOM 0 H MET A 5 -1.112 -6.671 0.664 1.00 42.22 H new ATOM 0 HA MET A 5 -1.647 -4.045 1.443 1.00 34.45 H new ATOM 0 HB2 MET A 5 -3.221 -5.687 -0.570 1.00 1.14 H new ATOM 0 HB3 MET A 5 -2.988 -3.950 -0.564 1.00 1.14 H new ATOM 0 HG2 MET A 5 -0.886 -6.071 -1.101 1.00 72.42 H new ATOM 0 HG3 MET A 5 -1.567 -4.943 -2.256 1.00 72.42 H new ATOM 0 HE1 MET A 5 -0.169 -1.580 -1.459 1.00 31.43 H new ATOM 0 HE2 MET A 5 -1.679 -2.476 -1.749 1.00 31.43 H new ATOM 0 HE3 MET A 5 -1.242 -1.979 -0.097 1.00 31.43 H new ATOM 63 N GLY A 6 -4.326 -3.970 1.792 1.00 22.14 N ATOM 64 CA GLY A 6 -5.588 -3.913 2.505 1.00 35.14 C ATOM 65 C GLY A 6 -6.772 -4.236 1.615 1.00 31.22 C ATOM 66 O GLY A 6 -7.250 -3.380 0.870 1.00 30.35 O ATOM 0 H GLY A 6 -4.150 -3.182 1.169 1.00 22.14 H new ATOM 0 HA2 GLY A 6 -5.562 -4.614 3.339 1.00 35.14 H new ATOM 0 HA3 GLY A 6 -5.717 -2.917 2.929 1.00 35.14 H new ATOM 70 N VAL A 7 -7.246 -5.476 1.690 1.00 11.12 N ATOM 71 CA VAL A 7 -8.381 -5.910 0.884 1.00 22.54 C ATOM 72 C VAL A 7 -9.687 -5.335 1.420 1.00 73.33 C ATOM 73 O VAL A 7 -10.211 -5.796 2.434 1.00 21.21 O ATOM 74 CB VAL A 7 -8.486 -7.447 0.846 1.00 15.43 C ATOM 75 CG1 VAL A 7 -7.370 -8.038 -0.001 1.00 55.15 C ATOM 76 CG2 VAL A 7 -8.456 -8.018 2.256 1.00 40.50 C ATOM 0 H VAL A 7 -6.862 -6.197 2.300 1.00 11.12 H new ATOM 0 HA VAL A 7 -8.213 -5.539 -0.127 1.00 22.54 H new ATOM 0 HB VAL A 7 -9.438 -7.717 0.389 1.00 15.43 H new ATOM 0 HG11 VAL A 7 -7.461 -9.124 -0.016 1.00 55.15 H new ATOM 0 HG12 VAL A 7 -7.443 -7.654 -1.018 1.00 55.15 H new ATOM 0 HG13 VAL A 7 -6.405 -7.760 0.423 1.00 55.15 H new ATOM 0 HG21 VAL A 7 -8.531 -9.104 2.210 1.00 40.50 H new ATOM 0 HG22 VAL A 7 -7.521 -7.739 2.742 1.00 40.50 H new ATOM 0 HG23 VAL A 7 -9.294 -7.620 2.828 1.00 40.50 H new ATOM 86 N ASP A 8 -10.209 -4.326 0.731 1.00 60.31 N ATOM 87 CA ASP A 8 -11.456 -3.688 1.136 1.00 72.12 C ATOM 88 C ASP A 8 -12.648 -4.327 0.430 1.00 62.32 C ATOM 89 O ASP A 8 -12.483 -5.068 -0.539 1.00 44.30 O ATOM 90 CB ASP A 8 -11.410 -2.190 0.830 1.00 30.14 C ATOM 91 CG ASP A 8 -12.033 -1.355 1.932 1.00 61.30 C ATOM 92 OD1 ASP A 8 -11.742 -1.624 3.116 1.00 2.11 O ATOM 93 OD2 ASP A 8 -12.812 -0.434 1.610 1.00 11.30 O ATOM 0 H ASP A 8 -9.788 -3.932 -0.111 1.00 60.31 H new ATOM 0 HA ASP A 8 -11.575 -3.828 2.210 1.00 72.12 H new ATOM 0 HB2 ASP A 8 -10.374 -1.883 0.687 1.00 30.14 H new ATOM 0 HB3 ASP A 8 -11.932 -1.997 -0.107 1.00 30.14 H new ATOM 98 N GLU A 9 -13.847 -4.036 0.923 1.00 35.42 N ATOM 99 CA GLU A 9 -15.066 -4.585 0.340 1.00 52.11 C ATOM 100 C GLU A 9 -15.159 -4.247 -1.145 1.00 45.23 C ATOM 101 O GLU A 9 -15.836 -4.934 -1.908 1.00 31.10 O ATOM 102 CB GLU A 9 -16.296 -4.047 1.074 1.00 33.21 C ATOM 103 CG GLU A 9 -16.259 -2.546 1.305 1.00 55.24 C ATOM 104 CD GLU A 9 -17.601 -1.989 1.739 1.00 75.21 C ATOM 105 OE1 GLU A 9 -18.557 -2.051 0.938 1.00 74.11 O ATOM 106 OE2 GLU A 9 -17.695 -1.492 2.881 1.00 53.34 O ATOM 0 H GLU A 9 -14.001 -3.424 1.724 1.00 35.42 H new ATOM 0 HA GLU A 9 -15.033 -5.669 0.447 1.00 52.11 H new ATOM 0 HB2 GLU A 9 -17.189 -4.296 0.500 1.00 33.21 H new ATOM 0 HB3 GLU A 9 -16.384 -4.552 2.036 1.00 33.21 H new ATOM 0 HG2 GLU A 9 -15.512 -2.318 2.065 1.00 55.24 H new ATOM 0 HG3 GLU A 9 -15.943 -2.049 0.388 1.00 55.24 H new ATOM 113 N ASN A 10 -14.472 -3.182 -1.547 1.00 72.15 N ATOM 114 CA ASN A 10 -14.477 -2.751 -2.941 1.00 32.12 C ATOM 115 C ASN A 10 -13.772 -3.772 -3.828 1.00 44.24 C ATOM 116 O ASN A 10 -14.201 -4.035 -4.952 1.00 55.43 O ATOM 117 CB ASN A 10 -13.800 -1.386 -3.076 1.00 41.15 C ATOM 118 CG ASN A 10 -14.714 -0.244 -2.675 1.00 72.43 C ATOM 119 OD1 ASN A 10 -15.704 0.039 -3.350 1.00 41.43 O ATOM 120 ND2 ASN A 10 -14.386 0.417 -1.571 1.00 64.45 N ATOM 0 H ASN A 10 -13.905 -2.602 -0.928 1.00 72.15 H new ATOM 0 HA ASN A 10 -15.514 -2.668 -3.267 1.00 32.12 H new ATOM 0 HB2 ASN A 10 -12.904 -1.365 -2.456 1.00 41.15 H new ATOM 0 HB3 ASN A 10 -13.477 -1.244 -4.107 1.00 41.15 H new ATOM 0 HD21 ASN A 10 -14.964 1.194 -1.251 1.00 64.45 H new ATOM 0 HD22 ASN A 10 -13.556 0.147 -1.043 1.00 64.45 H new ATOM 127 N CYS A 11 -12.688 -4.344 -3.316 1.00 43.22 N ATOM 128 CA CYS A 11 -11.922 -5.336 -4.062 1.00 63.02 C ATOM 129 C CYS A 11 -12.839 -6.407 -4.643 1.00 54.21 C ATOM 130 O CYS A 11 -12.524 -7.025 -5.660 1.00 23.12 O ATOM 131 CB CYS A 11 -10.870 -5.983 -3.160 1.00 33.13 C ATOM 132 SG CYS A 11 -11.476 -7.407 -2.224 1.00 42.11 S ATOM 0 H CYS A 11 -12.320 -4.138 -2.387 1.00 43.22 H new ATOM 0 HA CYS A 11 -11.421 -4.827 -4.885 1.00 63.02 H new ATOM 0 HB2 CYS A 11 -10.025 -6.297 -3.773 1.00 33.13 H new ATOM 0 HB3 CYS A 11 -10.496 -5.235 -2.461 1.00 33.13 H new ATOM 0 HG CYS A 11 -12.101 -6.994 -1.162 1.00 42.11 H new ATOM 138 N VAL A 12 -13.977 -6.622 -3.990 1.00 24.45 N ATOM 139 CA VAL A 12 -14.940 -7.619 -4.440 1.00 75.24 C ATOM 140 C VAL A 12 -15.907 -7.027 -5.460 1.00 14.04 C ATOM 141 O VAL A 12 -16.307 -7.696 -6.412 1.00 55.51 O ATOM 142 CB VAL A 12 -15.745 -8.196 -3.260 1.00 51.15 C ATOM 143 CG1 VAL A 12 -16.589 -9.377 -3.716 1.00 3.12 C ATOM 144 CG2 VAL A 12 -14.813 -8.601 -2.128 1.00 55.31 C ATOM 0 H VAL A 12 -14.254 -6.119 -3.147 1.00 24.45 H new ATOM 0 HA VAL A 12 -14.370 -8.422 -4.907 1.00 75.24 H new ATOM 0 HB VAL A 12 -16.417 -7.423 -2.888 1.00 51.15 H new ATOM 0 HG11 VAL A 12 -17.151 -9.771 -2.869 1.00 3.12 H new ATOM 0 HG12 VAL A 12 -17.283 -9.051 -4.491 1.00 3.12 H new ATOM 0 HG13 VAL A 12 -15.939 -10.156 -4.115 1.00 3.12 H new ATOM 0 HG21 VAL A 12 -15.398 -9.007 -1.303 1.00 55.31 H new ATOM 0 HG22 VAL A 12 -14.115 -9.358 -2.485 1.00 55.31 H new ATOM 0 HG23 VAL A 12 -14.257 -7.729 -1.785 1.00 55.31 H new ATOM 154 N ALA A 13 -16.279 -5.768 -5.252 1.00 42.15 N ATOM 155 CA ALA A 13 -17.197 -5.084 -6.155 1.00 31.14 C ATOM 156 C ALA A 13 -16.777 -5.269 -7.609 1.00 11.51 C ATOM 157 O ALA A 13 -17.620 -5.361 -8.501 1.00 71.23 O ATOM 158 CB ALA A 13 -17.273 -3.604 -5.809 1.00 22.33 C ATOM 0 H ALA A 13 -15.959 -5.201 -4.467 1.00 42.15 H new ATOM 0 HA ALA A 13 -18.186 -5.526 -6.031 1.00 31.14 H new ATOM 0 HB1 ALA A 13 -17.962 -3.106 -6.491 1.00 22.33 H new ATOM 0 HB2 ALA A 13 -17.628 -3.487 -4.785 1.00 22.33 H new ATOM 0 HB3 ALA A 13 -16.283 -3.157 -5.903 1.00 22.33 H new ATOM 164 N ARG A 14 -15.469 -5.320 -7.840 1.00 74.23 N ATOM 165 CA ARG A 14 -14.938 -5.492 -9.187 1.00 50.41 C ATOM 166 C ARG A 14 -15.340 -6.847 -9.762 1.00 12.41 C ATOM 167 O ARG A 14 -15.907 -6.927 -10.852 1.00 1.20 O ATOM 168 CB ARG A 14 -13.414 -5.362 -9.177 1.00 43.12 C ATOM 169 CG ARG A 14 -12.913 -4.117 -8.462 1.00 60.55 C ATOM 170 CD ARG A 14 -11.941 -4.469 -7.347 1.00 15.14 C ATOM 171 NE ARG A 14 -10.897 -5.384 -7.798 1.00 60.34 N ATOM 172 CZ ARG A 14 -9.687 -5.445 -7.254 1.00 2.40 C ATOM 173 NH1 ARG A 14 -9.371 -4.647 -6.243 1.00 24.20 N ATOM 174 NH2 ARG A 14 -8.790 -6.304 -7.721 1.00 32.34 N ATOM 0 H ARG A 14 -14.758 -5.245 -7.112 1.00 74.23 H new ATOM 0 HA ARG A 14 -15.359 -4.710 -9.819 1.00 50.41 H new ATOM 0 HB2 ARG A 14 -12.986 -6.243 -8.698 1.00 43.12 H new ATOM 0 HB3 ARG A 14 -13.052 -5.351 -10.205 1.00 43.12 H new ATOM 0 HG2 ARG A 14 -12.424 -3.457 -9.178 1.00 60.55 H new ATOM 0 HG3 ARG A 14 -13.759 -3.568 -8.049 1.00 60.55 H new ATOM 0 HD2 ARG A 14 -11.483 -3.557 -6.965 1.00 15.14 H new ATOM 0 HD3 ARG A 14 -12.487 -4.922 -6.520 1.00 15.14 H new ATOM 0 HE ARG A 14 -11.108 -6.011 -8.574 1.00 60.34 H new ATOM 0 HH11 ARG A 14 -10.058 -3.985 -5.882 1.00 24.20 H new ATOM 0 HH12 ARG A 14 -8.441 -4.695 -5.826 1.00 24.20 H new ATOM 0 HH21 ARG A 14 -9.029 -6.919 -8.499 1.00 32.34 H new ATOM 0 HH22 ARG A 14 -7.861 -6.350 -7.302 1.00 32.34 H new ATOM 188 N PHE A 15 -15.043 -7.909 -9.022 1.00 22.43 N ATOM 189 CA PHE A 15 -15.372 -9.261 -9.458 1.00 63.41 C ATOM 190 C PHE A 15 -16.883 -9.447 -9.562 1.00 2.22 C ATOM 191 O PHE A 15 -17.377 -10.103 -10.478 1.00 3.31 O ATOM 192 CB PHE A 15 -14.786 -10.290 -8.489 1.00 3.25 C ATOM 193 CG PHE A 15 -13.462 -9.880 -7.908 1.00 34.30 C ATOM 194 CD1 PHE A 15 -12.571 -9.122 -8.649 1.00 64.01 C ATOM 195 CD2 PHE A 15 -13.110 -10.254 -6.621 1.00 70.31 C ATOM 196 CE1 PHE A 15 -11.352 -8.743 -8.118 1.00 31.13 C ATOM 197 CE2 PHE A 15 -11.893 -9.878 -6.084 1.00 73.04 C ATOM 198 CZ PHE A 15 -11.013 -9.123 -6.834 1.00 2.41 C ATOM 0 H PHE A 15 -14.575 -7.860 -8.117 1.00 22.43 H new ATOM 0 HA PHE A 15 -14.936 -9.413 -10.445 1.00 63.41 H new ATOM 0 HB2 PHE A 15 -15.494 -10.457 -7.677 1.00 3.25 H new ATOM 0 HB3 PHE A 15 -14.667 -11.241 -9.009 1.00 3.25 H new ATOM 0 HD1 PHE A 15 -12.831 -8.823 -9.654 1.00 64.01 H new ATOM 0 HD2 PHE A 15 -13.794 -10.846 -6.031 1.00 70.31 H new ATOM 0 HE1 PHE A 15 -10.666 -8.151 -8.706 1.00 31.13 H new ATOM 0 HE2 PHE A 15 -11.631 -10.174 -5.079 1.00 73.04 H new ATOM 0 HZ PHE A 15 -10.061 -8.830 -6.417 1.00 2.41 H new ATOM 208 N ASN A 16 -17.611 -8.864 -8.615 1.00 22.12 N ATOM 209 CA ASN A 16 -19.066 -8.966 -8.598 1.00 44.41 C ATOM 210 C ASN A 16 -19.684 -8.095 -9.687 1.00 52.53 C ATOM 211 O ASN A 16 -20.872 -8.210 -9.987 1.00 41.24 O ATOM 212 CB ASN A 16 -19.611 -8.554 -7.229 1.00 43.41 C ATOM 213 CG ASN A 16 -21.093 -8.840 -7.087 1.00 52.21 C ATOM 214 OD1 ASN A 16 -21.516 -9.996 -7.086 1.00 52.11 O ATOM 215 ND2 ASN A 16 -21.890 -7.785 -6.967 1.00 14.43 N ATOM 0 H ASN A 16 -17.218 -8.316 -7.850 1.00 22.12 H new ATOM 0 HA ASN A 16 -19.335 -10.004 -8.791 1.00 44.41 H new ATOM 0 HB2 ASN A 16 -19.065 -9.085 -6.449 1.00 43.41 H new ATOM 0 HB3 ASN A 16 -19.433 -7.490 -7.075 1.00 43.41 H new ATOM 0 HD21 ASN A 16 -22.897 -7.915 -6.869 1.00 14.43 H new ATOM 0 HD22 ASN A 16 -21.495 -6.844 -6.973 1.00 14.43 H new ATOM 222 N GLU A 17 -18.869 -7.224 -10.275 1.00 74.03 N ATOM 223 CA GLU A 17 -19.337 -6.334 -11.331 1.00 13.40 C ATOM 224 C GLU A 17 -19.246 -7.012 -12.695 1.00 13.11 C ATOM 225 O GLU A 17 -20.155 -6.899 -13.519 1.00 20.21 O ATOM 226 CB GLU A 17 -18.520 -5.040 -11.337 1.00 12.10 C ATOM 227 CG GLU A 17 -19.234 -3.866 -10.689 1.00 13.15 C ATOM 228 CD GLU A 17 -20.481 -3.451 -11.446 1.00 2.13 C ATOM 229 OE1 GLU A 17 -21.521 -4.124 -11.288 1.00 52.43 O ATOM 230 OE2 GLU A 17 -20.416 -2.454 -12.195 1.00 71.42 O ATOM 0 H GLU A 17 -17.883 -7.116 -10.038 1.00 74.03 H new ATOM 0 HA GLU A 17 -20.382 -6.095 -11.133 1.00 13.40 H new ATOM 0 HB2 GLU A 17 -17.578 -5.213 -10.817 1.00 12.10 H new ATOM 0 HB3 GLU A 17 -18.273 -4.781 -12.367 1.00 12.10 H new ATOM 0 HG2 GLU A 17 -19.505 -4.130 -9.667 1.00 13.15 H new ATOM 0 HG3 GLU A 17 -18.551 -3.019 -10.629 1.00 13.15 H new ATOM 237 N LEU A 18 -18.144 -7.716 -12.926 1.00 42.35 N ATOM 238 CA LEU A 18 -17.932 -8.413 -14.191 1.00 13.45 C ATOM 239 C LEU A 18 -18.600 -9.784 -14.175 1.00 14.31 C ATOM 240 O LEU A 18 -18.808 -10.397 -15.222 1.00 34.32 O ATOM 241 CB LEU A 18 -16.436 -8.565 -14.467 1.00 64.13 C ATOM 242 CG LEU A 18 -15.642 -9.371 -13.439 1.00 24.22 C ATOM 243 CD1 LEU A 18 -15.315 -10.754 -13.981 1.00 43.23 C ATOM 244 CD2 LEU A 18 -14.368 -8.634 -13.051 1.00 12.20 C ATOM 0 H LEU A 18 -17.383 -7.820 -12.255 1.00 42.35 H new ATOM 0 HA LEU A 18 -18.383 -7.819 -14.986 1.00 13.45 H new ATOM 0 HB2 LEU A 18 -16.313 -9.036 -15.442 1.00 64.13 H new ATOM 0 HB3 LEU A 18 -15.997 -7.570 -14.536 1.00 64.13 H new ATOM 0 HG LEU A 18 -16.256 -9.489 -12.546 1.00 24.22 H new ATOM 0 HD11 LEU A 18 -14.750 -11.313 -13.235 1.00 43.23 H new ATOM 0 HD12 LEU A 18 -16.240 -11.284 -14.207 1.00 43.23 H new ATOM 0 HD13 LEU A 18 -14.721 -10.658 -14.890 1.00 43.23 H new ATOM 0 HD21 LEU A 18 -13.816 -9.223 -12.319 1.00 12.20 H new ATOM 0 HD22 LEU A 18 -13.750 -8.484 -13.936 1.00 12.20 H new ATOM 0 HD23 LEU A 18 -14.624 -7.666 -12.620 1.00 12.20 H new ATOM 256 N LYS A 19 -18.937 -10.259 -12.980 1.00 42.54 N ATOM 257 CA LYS A 19 -19.585 -11.555 -12.827 1.00 31.51 C ATOM 258 C LYS A 19 -21.091 -11.439 -13.036 1.00 55.03 C ATOM 259 O LYS A 19 -21.718 -12.329 -13.612 1.00 41.14 O ATOM 260 CB LYS A 19 -19.295 -12.132 -11.439 1.00 74.43 C ATOM 261 CG LYS A 19 -19.887 -13.514 -11.219 1.00 52.14 C ATOM 262 CD LYS A 19 -20.626 -13.600 -9.894 1.00 51.44 C ATOM 263 CE LYS A 19 -22.129 -13.461 -10.084 1.00 62.53 C ATOM 264 NZ LYS A 19 -22.802 -12.975 -8.848 1.00 43.11 N ATOM 0 H LYS A 19 -18.771 -9.765 -12.103 1.00 42.54 H new ATOM 0 HA LYS A 19 -19.182 -12.226 -13.585 1.00 31.51 H new ATOM 0 HB2 LYS A 19 -18.216 -12.181 -11.293 1.00 74.43 H new ATOM 0 HB3 LYS A 19 -19.689 -11.453 -10.683 1.00 74.43 H new ATOM 0 HG2 LYS A 19 -20.571 -13.752 -12.034 1.00 52.14 H new ATOM 0 HG3 LYS A 19 -19.092 -14.259 -11.242 1.00 52.14 H new ATOM 0 HD2 LYS A 19 -20.405 -14.554 -9.414 1.00 51.44 H new ATOM 0 HD3 LYS A 19 -20.269 -12.817 -9.225 1.00 51.44 H new ATOM 0 HE2 LYS A 19 -22.329 -12.769 -10.902 1.00 62.53 H new ATOM 0 HE3 LYS A 19 -22.549 -14.425 -10.371 1.00 62.53 H new ATOM 0 HZ1 LYS A 19 -23.825 -12.894 -9.019 1.00 43.11 H new ATOM 0 HZ2 LYS A 19 -22.633 -13.648 -8.073 1.00 43.11 H new ATOM 0 HZ3 LYS A 19 -22.419 -12.044 -8.588 1.00 43.11 H new ATOM 278 N ILE A 20 -21.666 -10.337 -12.567 1.00 10.15 N ATOM 279 CA ILE A 20 -23.098 -10.104 -12.705 1.00 72.02 C ATOM 280 C ILE A 20 -23.478 -9.868 -14.163 1.00 51.20 C ATOM 281 O ILE A 20 -24.547 -10.282 -14.611 1.00 53.04 O ATOM 282 CB ILE A 20 -23.556 -8.897 -11.865 1.00 73.31 C ATOM 283 CG1 ILE A 20 -25.060 -8.672 -12.034 1.00 33.01 C ATOM 284 CG2 ILE A 20 -22.781 -7.650 -12.262 1.00 64.33 C ATOM 285 CD1 ILE A 20 -25.700 -7.960 -10.863 1.00 2.42 C ATOM 0 H ILE A 20 -21.162 -9.591 -12.088 1.00 10.15 H new ATOM 0 HA ILE A 20 -23.600 -11.000 -12.341 1.00 72.02 H new ATOM 0 HB ILE A 20 -23.354 -9.107 -10.815 1.00 73.31 H new ATOM 0 HG12 ILE A 20 -25.233 -8.091 -12.940 1.00 33.01 H new ATOM 0 HG13 ILE A 20 -25.550 -9.636 -12.175 1.00 33.01 H new ATOM 0 HG21 ILE A 20 -23.116 -6.806 -11.659 1.00 64.33 H new ATOM 0 HG22 ILE A 20 -21.716 -7.815 -12.095 1.00 64.33 H new ATOM 0 HG23 ILE A 20 -22.954 -7.434 -13.316 1.00 64.33 H new ATOM 0 HD11 ILE A 20 -26.766 -7.835 -11.052 1.00 2.42 H new ATOM 0 HD12 ILE A 20 -25.559 -8.550 -9.957 1.00 2.42 H new ATOM 0 HD13 ILE A 20 -25.237 -6.982 -10.735 1.00 2.42 H new ATOM 297 N ARG A 21 -22.595 -9.201 -14.899 1.00 25.15 N ATOM 298 CA ARG A 21 -22.837 -8.910 -16.306 1.00 63.34 C ATOM 299 C ARG A 21 -22.192 -9.967 -17.199 1.00 31.14 C ATOM 300 O ARG A 21 -22.770 -10.384 -18.203 1.00 23.13 O ATOM 301 CB ARG A 21 -22.294 -7.525 -16.664 1.00 23.51 C ATOM 302 CG ARG A 21 -23.371 -6.460 -16.780 1.00 74.01 C ATOM 303 CD ARG A 21 -24.308 -6.739 -17.946 1.00 25.35 C ATOM 304 NE ARG A 21 -25.323 -5.700 -18.093 1.00 34.44 N ATOM 305 CZ ARG A 21 -26.443 -5.860 -18.790 1.00 64.51 C ATOM 306 NH1 ARG A 21 -26.688 -7.011 -19.401 1.00 33.54 N ATOM 307 NH2 ARG A 21 -27.319 -4.868 -18.877 1.00 60.04 N ATOM 0 H ARG A 21 -21.705 -8.852 -14.543 1.00 25.15 H new ATOM 0 HA ARG A 21 -23.914 -8.925 -16.474 1.00 63.34 H new ATOM 0 HB2 ARG A 21 -21.573 -7.220 -15.906 1.00 23.51 H new ATOM 0 HB3 ARG A 21 -21.755 -7.589 -17.609 1.00 23.51 H new ATOM 0 HG2 ARG A 21 -23.944 -6.418 -15.854 1.00 74.01 H new ATOM 0 HG3 ARG A 21 -22.906 -5.483 -16.912 1.00 74.01 H new ATOM 0 HD2 ARG A 21 -23.729 -6.813 -18.867 1.00 25.35 H new ATOM 0 HD3 ARG A 21 -24.795 -7.703 -17.797 1.00 25.35 H new ATOM 0 HE ARG A 21 -25.164 -4.802 -17.636 1.00 34.44 H new ATOM 0 HH11 ARG A 21 -26.016 -7.776 -19.337 1.00 33.54 H new ATOM 0 HH12 ARG A 21 -27.548 -7.132 -19.935 1.00 33.54 H new ATOM 0 HH21 ARG A 21 -27.133 -3.981 -18.409 1.00 60.04 H new ATOM 0 HH22 ARG A 21 -28.178 -4.992 -19.412 1.00 60.04 H new ATOM 321 N LYS A 22 -20.991 -10.396 -16.826 1.00 31.03 N ATOM 322 CA LYS A 22 -20.267 -11.404 -17.590 1.00 61.52 C ATOM 323 C LYS A 22 -20.131 -10.986 -19.051 1.00 22.13 C ATOM 324 O LYS A 22 -19.809 -11.803 -19.914 1.00 45.34 O ATOM 325 CB LYS A 22 -20.983 -12.754 -17.500 1.00 23.11 C ATOM 326 CG LYS A 22 -21.810 -13.087 -18.729 1.00 74.02 C ATOM 327 CD LYS A 22 -22.979 -13.996 -18.385 1.00 44.14 C ATOM 328 CE LYS A 22 -22.607 -15.463 -18.537 1.00 3.01 C ATOM 329 NZ LYS A 22 -23.411 -16.335 -17.637 1.00 11.13 N ATOM 0 H LYS A 22 -20.498 -10.061 -15.998 1.00 31.03 H new ATOM 0 HA LYS A 22 -19.269 -11.499 -17.163 1.00 61.52 H new ATOM 0 HB2 LYS A 22 -20.242 -13.539 -17.347 1.00 23.11 H new ATOM 0 HB3 LYS A 22 -21.632 -12.754 -16.625 1.00 23.11 H new ATOM 0 HG2 LYS A 22 -22.183 -12.167 -19.178 1.00 74.02 H new ATOM 0 HG3 LYS A 22 -21.178 -13.571 -19.474 1.00 74.02 H new ATOM 0 HD2 LYS A 22 -23.301 -13.805 -17.361 1.00 44.14 H new ATOM 0 HD3 LYS A 22 -23.824 -13.765 -19.033 1.00 44.14 H new ATOM 0 HE2 LYS A 22 -22.759 -15.771 -19.572 1.00 3.01 H new ATOM 0 HE3 LYS A 22 -21.547 -15.594 -18.318 1.00 3.01 H new ATOM 0 HZ1 LYS A 22 -23.128 -17.327 -17.770 1.00 11.13 H new ATOM 0 HZ2 LYS A 22 -23.247 -16.058 -16.648 1.00 11.13 H new ATOM 0 HZ3 LYS A 22 -24.421 -16.230 -17.863 1.00 11.13 H new ATOM 343 N THR A 23 -20.377 -9.708 -19.321 1.00 41.20 N ATOM 344 CA THR A 23 -20.281 -9.181 -20.677 1.00 35.15 C ATOM 345 C THR A 23 -19.188 -8.124 -20.780 1.00 14.42 C ATOM 346 O THR A 23 -18.371 -8.149 -21.700 1.00 53.33 O ATOM 347 CB THR A 23 -21.618 -8.568 -21.137 1.00 22.54 C ATOM 348 OG1 THR A 23 -22.711 -9.356 -20.651 1.00 3.34 O ATOM 349 CG2 THR A 23 -21.681 -8.486 -22.654 1.00 52.23 C ATOM 0 H THR A 23 -20.644 -9.018 -18.619 1.00 41.20 H new ATOM 0 HA THR A 23 -20.032 -10.021 -21.326 1.00 35.15 H new ATOM 0 HB THR A 23 -21.689 -7.559 -20.731 1.00 22.54 H new ATOM 0 HG1 THR A 23 -22.715 -9.341 -19.671 1.00 3.34 H new ATOM 0 HG21 THR A 23 -22.634 -8.050 -22.956 1.00 52.23 H new ATOM 0 HG22 THR A 23 -20.865 -7.862 -23.019 1.00 52.23 H new ATOM 0 HG23 THR A 23 -21.590 -9.487 -23.077 1.00 52.23 H new ATOM 357 N VAL A 24 -19.178 -7.195 -19.829 1.00 54.41 N ATOM 358 CA VAL A 24 -18.184 -6.129 -19.812 1.00 42.42 C ATOM 359 C VAL A 24 -18.563 -5.039 -18.815 1.00 65.40 C ATOM 360 O VAL A 24 -19.357 -4.150 -19.122 1.00 3.13 O ATOM 361 CB VAL A 24 -18.015 -5.497 -21.207 1.00 1.54 C ATOM 362 CG1 VAL A 24 -19.371 -5.246 -21.848 1.00 34.34 C ATOM 363 CG2 VAL A 24 -17.214 -4.207 -21.113 1.00 12.51 C ATOM 0 H VAL A 24 -19.847 -7.159 -19.060 1.00 54.41 H new ATOM 0 HA VAL A 24 -17.240 -6.582 -19.509 1.00 42.42 H new ATOM 0 HB VAL A 24 -17.465 -6.195 -21.839 1.00 1.54 H new ATOM 0 HG11 VAL A 24 -19.231 -4.799 -22.832 1.00 34.34 H new ATOM 0 HG12 VAL A 24 -19.905 -6.190 -21.951 1.00 34.34 H new ATOM 0 HG13 VAL A 24 -19.950 -4.568 -21.221 1.00 34.34 H new ATOM 0 HG21 VAL A 24 -17.104 -3.774 -22.107 1.00 12.51 H new ATOM 0 HG22 VAL A 24 -17.735 -3.502 -20.465 1.00 12.51 H new ATOM 0 HG23 VAL A 24 -16.228 -4.420 -20.699 1.00 12.51 H new ATOM 373 N LYS A 25 -17.989 -5.114 -17.619 1.00 64.40 N ATOM 374 CA LYS A 25 -18.263 -4.134 -16.575 1.00 74.31 C ATOM 375 C LYS A 25 -17.079 -3.192 -16.388 1.00 43.22 C ATOM 376 O LYS A 25 -17.119 -2.287 -15.555 1.00 12.04 O ATOM 377 CB LYS A 25 -18.580 -4.840 -15.255 1.00 34.22 C ATOM 378 CG LYS A 25 -19.625 -4.123 -14.417 1.00 3.10 C ATOM 379 CD LYS A 25 -20.960 -4.045 -15.137 1.00 73.23 C ATOM 380 CE LYS A 25 -22.117 -4.371 -14.204 1.00 45.12 C ATOM 381 NZ LYS A 25 -22.723 -3.141 -13.623 1.00 75.51 N ATOM 0 H LYS A 25 -17.330 -5.844 -17.349 1.00 64.40 H new ATOM 0 HA LYS A 25 -19.127 -3.545 -16.882 1.00 74.31 H new ATOM 0 HB2 LYS A 25 -18.928 -5.851 -15.468 1.00 34.22 H new ATOM 0 HB3 LYS A 25 -17.663 -4.935 -14.674 1.00 34.22 H new ATOM 0 HG2 LYS A 25 -19.752 -4.645 -13.468 1.00 3.10 H new ATOM 0 HG3 LYS A 25 -19.277 -3.117 -14.183 1.00 3.10 H new ATOM 0 HD2 LYS A 25 -21.094 -3.045 -15.549 1.00 73.23 H new ATOM 0 HD3 LYS A 25 -20.962 -4.739 -15.977 1.00 73.23 H new ATOM 0 HE2 LYS A 25 -22.878 -4.928 -14.750 1.00 45.12 H new ATOM 0 HE3 LYS A 25 -21.765 -5.017 -13.400 1.00 45.12 H new ATOM 0 HZ1 LYS A 25 -23.427 -3.407 -12.905 1.00 75.51 H new ATOM 0 HZ2 LYS A 25 -21.980 -2.563 -13.182 1.00 75.51 H new ATOM 0 HZ3 LYS A 25 -23.187 -2.593 -14.376 1.00 75.51 H new ATOM 395 N TRP A 26 -16.027 -3.409 -17.169 1.00 60.33 N ATOM 396 CA TRP A 26 -14.831 -2.578 -17.090 1.00 54.41 C ATOM 397 C TRP A 26 -14.723 -1.909 -15.724 1.00 24.50 C ATOM 398 O TRP A 26 -15.045 -0.731 -15.572 1.00 54.11 O ATOM 399 CB TRP A 26 -14.850 -1.516 -18.191 1.00 11.31 C ATOM 400 CG TRP A 26 -15.678 -0.316 -17.844 1.00 53.45 C ATOM 401 CD1 TRP A 26 -17.022 -0.290 -17.600 1.00 3.30 C ATOM 402 CD2 TRP A 26 -15.217 1.033 -17.706 1.00 72.22 C ATOM 403 NE1 TRP A 26 -17.424 0.994 -17.318 1.00 65.30 N ATOM 404 CE2 TRP A 26 -16.335 1.824 -17.376 1.00 33.41 C ATOM 405 CE3 TRP A 26 -13.969 1.649 -17.827 1.00 62.11 C ATOM 406 CZ2 TRP A 26 -16.240 3.197 -17.167 1.00 62.21 C ATOM 407 CZ3 TRP A 26 -13.876 3.012 -17.620 1.00 22.01 C ATOM 408 CH2 TRP A 26 -15.005 3.774 -17.292 1.00 73.21 C ATOM 0 H TRP A 26 -15.978 -4.154 -17.864 1.00 60.33 H new ATOM 0 HA TRP A 26 -13.962 -3.221 -17.229 1.00 54.41 H new ATOM 0 HB2 TRP A 26 -13.828 -1.197 -18.396 1.00 11.31 H new ATOM 0 HB3 TRP A 26 -15.235 -1.961 -19.109 1.00 11.31 H new ATOM 0 HD1 TRP A 26 -17.673 -1.151 -17.625 1.00 3.30 H new ATOM 0 HE1 TRP A 26 -18.378 1.282 -17.101 1.00 65.30 H new ATOM 0 HE3 TRP A 26 -13.092 1.070 -18.078 1.00 62.11 H new ATOM 0 HZ2 TRP A 26 -17.110 3.786 -16.915 1.00 62.21 H new ATOM 0 HZ3 TRP A 26 -12.916 3.498 -17.713 1.00 22.01 H new ATOM 0 HH2 TRP A 26 -14.899 4.837 -17.135 1.00 73.21 H new ATOM 419 N ILE A 27 -14.266 -2.669 -14.734 1.00 13.44 N ATOM 420 CA ILE A 27 -14.114 -2.148 -13.381 1.00 31.14 C ATOM 421 C ILE A 27 -12.667 -1.757 -13.102 1.00 1.14 C ATOM 422 O ILE A 27 -11.765 -2.593 -13.157 1.00 2.23 O ATOM 423 CB ILE A 27 -14.568 -3.176 -12.328 1.00 34.15 C ATOM 424 CG1 ILE A 27 -15.787 -3.951 -12.832 1.00 54.12 C ATOM 425 CG2 ILE A 27 -14.883 -2.482 -11.011 1.00 11.21 C ATOM 426 CD1 ILE A 27 -15.454 -5.335 -13.344 1.00 53.21 C ATOM 0 H ILE A 27 -13.995 -3.646 -14.843 1.00 13.44 H new ATOM 0 HA ILE A 27 -14.747 -1.264 -13.310 1.00 31.14 H new ATOM 0 HB ILE A 27 -13.756 -3.883 -12.159 1.00 34.15 H new ATOM 0 HG12 ILE A 27 -16.513 -4.037 -12.023 1.00 54.12 H new ATOM 0 HG13 ILE A 27 -16.264 -3.382 -13.630 1.00 54.12 H new ATOM 0 HG21 ILE A 27 -15.202 -3.222 -10.277 1.00 11.21 H new ATOM 0 HG22 ILE A 27 -13.992 -1.971 -10.647 1.00 11.21 H new ATOM 0 HG23 ILE A 27 -15.681 -1.755 -11.164 1.00 11.21 H new ATOM 0 HD11 ILE A 27 -16.366 -5.826 -13.685 1.00 53.21 H new ATOM 0 HD12 ILE A 27 -14.752 -5.257 -14.174 1.00 53.21 H new ATOM 0 HD13 ILE A 27 -15.004 -5.921 -12.542 1.00 53.21 H new ATOM 438 N VAL A 28 -12.452 -0.480 -12.800 1.00 33.32 N ATOM 439 CA VAL A 28 -11.115 0.022 -12.509 1.00 1.23 C ATOM 440 C VAL A 28 -10.918 0.225 -11.011 1.00 11.14 C ATOM 441 O VAL A 28 -11.473 1.152 -10.421 1.00 1.53 O ATOM 442 CB VAL A 28 -10.845 1.353 -13.236 1.00 23.22 C ATOM 443 CG1 VAL A 28 -9.358 1.674 -13.227 1.00 0.24 C ATOM 444 CG2 VAL A 28 -11.378 1.300 -14.659 1.00 72.54 C ATOM 0 H VAL A 28 -13.187 0.225 -12.751 1.00 33.32 H new ATOM 0 HA VAL A 28 -10.410 -0.729 -12.867 1.00 1.23 H new ATOM 0 HB VAL A 28 -11.368 2.149 -12.706 1.00 23.22 H new ATOM 0 HG11 VAL A 28 -9.186 2.618 -13.745 1.00 0.24 H new ATOM 0 HG12 VAL A 28 -9.010 1.757 -12.197 1.00 0.24 H new ATOM 0 HG13 VAL A 28 -8.811 0.878 -13.732 1.00 0.24 H new ATOM 0 HG21 VAL A 28 -11.179 2.248 -15.158 1.00 72.54 H new ATOM 0 HG22 VAL A 28 -10.885 0.494 -15.202 1.00 72.54 H new ATOM 0 HG23 VAL A 28 -12.453 1.120 -14.638 1.00 72.54 H new ATOM 454 N PHE A 29 -10.124 -0.648 -10.400 1.00 60.11 N ATOM 455 CA PHE A 29 -9.854 -0.565 -8.970 1.00 24.55 C ATOM 456 C PHE A 29 -8.493 0.074 -8.709 1.00 62.03 C ATOM 457 O PHE A 29 -7.487 -0.314 -9.304 1.00 72.13 O ATOM 458 CB PHE A 29 -9.904 -1.958 -8.338 1.00 74.21 C ATOM 459 CG PHE A 29 -9.081 -2.979 -9.070 1.00 44.31 C ATOM 460 CD1 PHE A 29 -9.618 -3.691 -10.130 1.00 61.02 C ATOM 461 CD2 PHE A 29 -7.769 -3.225 -8.699 1.00 22.34 C ATOM 462 CE1 PHE A 29 -8.862 -4.631 -10.805 1.00 32.11 C ATOM 463 CE2 PHE A 29 -7.008 -4.164 -9.370 1.00 20.01 C ATOM 464 CZ PHE A 29 -7.555 -4.867 -10.425 1.00 73.11 C ATOM 0 H PHE A 29 -9.656 -1.421 -10.873 1.00 60.11 H new ATOM 0 HA PHE A 29 -10.623 0.061 -8.517 1.00 24.55 H new ATOM 0 HB2 PHE A 29 -9.555 -1.893 -7.307 1.00 74.21 H new ATOM 0 HB3 PHE A 29 -10.940 -2.295 -8.303 1.00 74.21 H new ATOM 0 HD1 PHE A 29 -10.639 -3.510 -10.432 1.00 61.02 H new ATOM 0 HD2 PHE A 29 -7.336 -2.677 -7.876 1.00 22.34 H new ATOM 0 HE1 PHE A 29 -9.293 -5.181 -11.629 1.00 32.11 H new ATOM 0 HE2 PHE A 29 -5.987 -4.347 -9.069 1.00 20.01 H new ATOM 0 HZ PHE A 29 -6.962 -5.600 -10.952 1.00 73.11 H new ATOM 474 N LYS A 30 -8.469 1.057 -7.816 1.00 51.41 N ATOM 475 CA LYS A 30 -7.233 1.752 -7.475 1.00 34.03 C ATOM 476 C LYS A 30 -6.821 1.454 -6.037 1.00 31.23 C ATOM 477 O LYS A 30 -7.580 1.702 -5.100 1.00 34.24 O ATOM 478 CB LYS A 30 -7.403 3.261 -7.665 1.00 61.14 C ATOM 479 CG LYS A 30 -6.560 4.093 -6.714 1.00 34.31 C ATOM 480 CD LYS A 30 -7.377 4.585 -5.531 1.00 52.21 C ATOM 481 CE LYS A 30 -6.523 4.714 -4.279 1.00 33.10 C ATOM 482 NZ LYS A 30 -5.699 5.954 -4.295 1.00 21.11 N ATOM 0 H LYS A 30 -9.292 1.391 -7.315 1.00 51.41 H new ATOM 0 HA LYS A 30 -6.448 1.394 -8.142 1.00 34.03 H new ATOM 0 HB2 LYS A 30 -7.142 3.521 -8.691 1.00 61.14 H new ATOM 0 HB3 LYS A 30 -8.453 3.520 -7.528 1.00 61.14 H new ATOM 0 HG2 LYS A 30 -5.720 3.498 -6.355 1.00 34.31 H new ATOM 0 HG3 LYS A 30 -6.141 4.946 -7.248 1.00 34.31 H new ATOM 0 HD2 LYS A 30 -7.821 5.551 -5.771 1.00 52.21 H new ATOM 0 HD3 LYS A 30 -8.199 3.894 -5.343 1.00 52.21 H new ATOM 0 HE2 LYS A 30 -7.166 4.717 -3.399 1.00 33.10 H new ATOM 0 HE3 LYS A 30 -5.870 3.845 -4.194 1.00 33.10 H new ATOM 0 HZ1 LYS A 30 -4.733 5.733 -3.979 1.00 21.11 H new ATOM 0 HZ2 LYS A 30 -5.668 6.338 -5.261 1.00 21.11 H new ATOM 0 HZ3 LYS A 30 -6.120 6.659 -3.656 1.00 21.11 H new ATOM 496 N ILE A 31 -5.615 0.922 -5.870 1.00 43.41 N ATOM 497 CA ILE A 31 -5.102 0.594 -4.546 1.00 23.50 C ATOM 498 C ILE A 31 -4.470 1.813 -3.883 1.00 31.22 C ATOM 499 O ILE A 31 -3.549 2.420 -4.428 1.00 23.35 O ATOM 500 CB ILE A 31 -4.060 -0.539 -4.611 1.00 42.21 C ATOM 501 CG1 ILE A 31 -2.976 -0.206 -5.639 1.00 13.11 C ATOM 502 CG2 ILE A 31 -4.734 -1.859 -4.953 1.00 24.55 C ATOM 503 CD1 ILE A 31 -1.569 -0.353 -5.103 1.00 15.42 C ATOM 0 H ILE A 31 -4.975 0.709 -6.635 1.00 43.41 H new ATOM 0 HA ILE A 31 -5.953 0.261 -3.952 1.00 23.50 H new ATOM 0 HB ILE A 31 -3.589 -0.636 -3.633 1.00 42.21 H new ATOM 0 HG12 ILE A 31 -3.096 -0.857 -6.505 1.00 13.11 H new ATOM 0 HG13 ILE A 31 -3.119 0.817 -5.987 1.00 13.11 H new ATOM 0 HG21 ILE A 31 -3.985 -2.650 -4.995 1.00 24.55 H new ATOM 0 HG22 ILE A 31 -5.473 -2.099 -4.188 1.00 24.55 H new ATOM 0 HG23 ILE A 31 -5.228 -1.775 -5.921 1.00 24.55 H new ATOM 0 HD11 ILE A 31 -0.853 -0.101 -5.886 1.00 15.42 H new ATOM 0 HD12 ILE A 31 -1.431 0.318 -4.255 1.00 15.42 H new ATOM 0 HD13 ILE A 31 -1.408 -1.382 -4.782 1.00 15.42 H new ATOM 515 N GLU A 32 -4.971 2.164 -2.703 1.00 15.13 N ATOM 516 CA GLU A 32 -4.455 3.311 -1.965 1.00 22.33 C ATOM 517 C GLU A 32 -3.345 2.886 -1.007 1.00 51.31 C ATOM 518 O GLU A 32 -2.862 1.756 -1.062 1.00 13.11 O ATOM 519 CB GLU A 32 -5.581 3.994 -1.187 1.00 12.13 C ATOM 520 CG GLU A 32 -5.489 5.511 -1.189 1.00 31.24 C ATOM 521 CD GLU A 32 -6.832 6.177 -1.417 1.00 72.53 C ATOM 522 OE1 GLU A 32 -7.862 5.578 -1.042 1.00 20.24 O ATOM 523 OE2 GLU A 32 -6.854 7.295 -1.972 1.00 1.13 O ATOM 0 H GLU A 32 -5.733 1.671 -2.238 1.00 15.13 H new ATOM 0 HA GLU A 32 -4.041 4.017 -2.685 1.00 22.33 H new ATOM 0 HB2 GLU A 32 -6.539 3.696 -1.614 1.00 12.13 H new ATOM 0 HB3 GLU A 32 -5.567 3.639 -0.157 1.00 12.13 H new ATOM 0 HG2 GLU A 32 -5.078 5.847 -0.237 1.00 31.24 H new ATOM 0 HG3 GLU A 32 -4.794 5.828 -1.966 1.00 31.24 H new ATOM 530 N ASN A 33 -2.946 3.802 -0.131 1.00 23.05 N ATOM 531 CA ASN A 33 -1.892 3.524 0.839 1.00 72.21 C ATOM 532 C ASN A 33 -2.348 2.478 1.852 1.00 2.54 C ATOM 533 O ASN A 33 -2.921 2.811 2.890 1.00 14.42 O ATOM 534 CB ASN A 33 -1.484 4.809 1.563 1.00 75.42 C ATOM 535 CG ASN A 33 -1.064 5.905 0.603 1.00 63.52 C ATOM 536 OD1 ASN A 33 0.033 5.869 0.045 1.00 2.00 O ATOM 537 ND2 ASN A 33 -1.936 6.886 0.406 1.00 35.12 N ATOM 0 H ASN A 33 -3.336 4.743 -0.072 1.00 23.05 H new ATOM 0 HA ASN A 33 -1.030 3.130 0.300 1.00 72.21 H new ATOM 0 HB2 ASN A 33 -2.318 5.161 2.170 1.00 75.42 H new ATOM 0 HB3 ASN A 33 -0.662 4.593 2.246 1.00 75.42 H new ATOM 0 HD21 ASN A 33 -1.708 7.651 -0.229 1.00 35.12 H new ATOM 0 HD22 ASN A 33 -2.834 6.875 0.890 1.00 35.12 H new ATOM 544 N THR A 34 -2.088 1.211 1.545 1.00 11.31 N ATOM 545 CA THR A 34 -2.471 0.117 2.428 1.00 73.23 C ATOM 546 C THR A 34 -3.982 -0.085 2.429 1.00 32.22 C ATOM 547 O THR A 34 -4.600 -0.220 3.485 1.00 32.04 O ATOM 548 CB THR A 34 -1.997 0.367 3.872 1.00 42.03 C ATOM 549 OG1 THR A 34 -0.829 1.196 3.867 1.00 72.10 O ATOM 550 CG2 THR A 34 -1.690 -0.946 4.576 1.00 60.13 C ATOM 0 H THR A 34 -1.614 0.917 0.691 1.00 11.31 H new ATOM 0 HA THR A 34 -1.987 -0.782 2.046 1.00 73.23 H new ATOM 0 HB THR A 34 -2.798 0.871 4.412 1.00 42.03 H new ATOM 0 HG1 THR A 34 -0.535 1.352 4.789 1.00 72.10 H new ATOM 0 HG21 THR A 34 -1.357 -0.744 5.594 1.00 60.13 H new ATOM 0 HG22 THR A 34 -2.588 -1.563 4.604 1.00 60.13 H new ATOM 0 HG23 THR A 34 -0.904 -1.474 4.035 1.00 60.13 H new ATOM 558 N LYS A 35 -4.573 -0.106 1.239 1.00 3.11 N ATOM 559 CA LYS A 35 -6.012 -0.294 1.102 1.00 52.42 C ATOM 560 C LYS A 35 -6.407 -0.423 -0.366 1.00 5.10 C ATOM 561 O LYS A 35 -5.658 -0.021 -1.257 1.00 2.40 O ATOM 562 CB LYS A 35 -6.763 0.876 1.742 1.00 51.45 C ATOM 563 CG LYS A 35 -8.262 0.655 1.842 1.00 74.20 C ATOM 564 CD LYS A 35 -8.588 -0.618 2.605 1.00 70.54 C ATOM 565 CE LYS A 35 -8.002 -0.593 4.008 1.00 13.20 C ATOM 566 NZ LYS A 35 -8.369 -1.810 4.784 1.00 3.33 N ATOM 0 H LYS A 35 -4.077 0.005 0.355 1.00 3.11 H new ATOM 0 HA LYS A 35 -6.283 -1.217 1.615 1.00 52.42 H new ATOM 0 HB2 LYS A 35 -6.363 1.051 2.741 1.00 51.45 H new ATOM 0 HB3 LYS A 35 -6.575 1.779 1.161 1.00 51.45 H new ATOM 0 HG2 LYS A 35 -8.724 1.507 2.340 1.00 74.20 H new ATOM 0 HG3 LYS A 35 -8.690 0.600 0.841 1.00 74.20 H new ATOM 0 HD2 LYS A 35 -9.669 -0.741 2.664 1.00 70.54 H new ATOM 0 HD3 LYS A 35 -8.198 -1.479 2.062 1.00 70.54 H new ATOM 0 HE2 LYS A 35 -6.917 -0.515 3.947 1.00 13.20 H new ATOM 0 HE3 LYS A 35 -8.356 0.294 4.534 1.00 13.20 H new ATOM 0 HZ1 LYS A 35 -7.951 -1.755 5.735 1.00 3.33 H new ATOM 0 HZ2 LYS A 35 -9.404 -1.871 4.864 1.00 3.33 H new ATOM 0 HZ3 LYS A 35 -8.009 -2.655 4.296 1.00 3.33 H new ATOM 580 N ILE A 36 -7.586 -0.985 -0.610 1.00 3.52 N ATOM 581 CA ILE A 36 -8.079 -1.164 -1.969 1.00 55.45 C ATOM 582 C ILE A 36 -9.450 -0.520 -2.146 1.00 15.43 C ATOM 583 O ILE A 36 -10.271 -0.520 -1.228 1.00 51.20 O ATOM 584 CB ILE A 36 -8.173 -2.655 -2.342 1.00 54.15 C ATOM 585 CG1 ILE A 36 -6.778 -3.281 -2.385 1.00 31.31 C ATOM 586 CG2 ILE A 36 -8.876 -2.823 -3.681 1.00 53.33 C ATOM 587 CD1 ILE A 36 -6.771 -4.762 -2.075 1.00 42.14 C ATOM 0 H ILE A 36 -8.217 -1.324 0.116 1.00 3.52 H new ATOM 0 HA ILE A 36 -7.363 -0.677 -2.631 1.00 55.45 H new ATOM 0 HB ILE A 36 -8.758 -3.169 -1.579 1.00 54.15 H new ATOM 0 HG12 ILE A 36 -6.348 -3.123 -3.374 1.00 31.31 H new ATOM 0 HG13 ILE A 36 -6.135 -2.766 -1.672 1.00 31.31 H new ATOM 0 HG21 ILE A 36 -8.935 -3.882 -3.931 1.00 53.33 H new ATOM 0 HG22 ILE A 36 -9.882 -2.409 -3.618 1.00 53.33 H new ATOM 0 HG23 ILE A 36 -8.315 -2.298 -4.455 1.00 53.33 H new ATOM 0 HD11 ILE A 36 -5.749 -5.139 -2.124 1.00 42.14 H new ATOM 0 HD12 ILE A 36 -7.171 -4.926 -1.075 1.00 42.14 H new ATOM 0 HD13 ILE A 36 -7.387 -5.289 -2.803 1.00 42.14 H new ATOM 599 N VAL A 37 -9.693 0.028 -3.333 1.00 20.34 N ATOM 600 CA VAL A 37 -10.966 0.673 -3.631 1.00 60.32 C ATOM 601 C VAL A 37 -11.225 0.709 -5.133 1.00 43.02 C ATOM 602 O VAL A 37 -10.310 0.523 -5.936 1.00 52.43 O ATOM 603 CB VAL A 37 -11.010 2.110 -3.079 1.00 32.11 C ATOM 604 CG1 VAL A 37 -11.258 2.098 -1.578 1.00 42.02 C ATOM 605 CG2 VAL A 37 -9.721 2.847 -3.409 1.00 70.11 C ATOM 0 H VAL A 37 -9.025 0.038 -4.104 1.00 20.34 H new ATOM 0 HA VAL A 37 -11.742 0.081 -3.145 1.00 60.32 H new ATOM 0 HB VAL A 37 -11.836 2.639 -3.555 1.00 32.11 H new ATOM 0 HG11 VAL A 37 -11.286 3.122 -1.206 1.00 42.02 H new ATOM 0 HG12 VAL A 37 -12.210 1.610 -1.370 1.00 42.02 H new ATOM 0 HG13 VAL A 37 -10.456 1.553 -1.081 1.00 42.02 H new ATOM 0 HG21 VAL A 37 -9.770 3.861 -3.011 1.00 70.11 H new ATOM 0 HG22 VAL A 37 -8.877 2.322 -2.962 1.00 70.11 H new ATOM 0 HG23 VAL A 37 -9.592 2.887 -4.491 1.00 70.11 H new ATOM 615 N VAL A 38 -12.477 0.950 -5.507 1.00 34.02 N ATOM 616 CA VAL A 38 -12.857 1.012 -6.913 1.00 52.51 C ATOM 617 C VAL A 38 -13.182 2.442 -7.332 1.00 3.14 C ATOM 618 O VAL A 38 -13.772 3.204 -6.567 1.00 21.14 O ATOM 619 CB VAL A 38 -14.074 0.115 -7.206 1.00 61.33 C ATOM 620 CG1 VAL A 38 -15.220 0.443 -6.261 1.00 61.24 C ATOM 621 CG2 VAL A 38 -14.508 0.264 -8.657 1.00 34.15 C ATOM 0 H VAL A 38 -13.246 1.106 -4.855 1.00 34.02 H new ATOM 0 HA VAL A 38 -12.003 0.653 -7.487 1.00 52.51 H new ATOM 0 HB VAL A 38 -13.786 -0.923 -7.041 1.00 61.33 H new ATOM 0 HG11 VAL A 38 -16.071 -0.201 -6.484 1.00 61.24 H new ATOM 0 HG12 VAL A 38 -14.901 0.280 -5.232 1.00 61.24 H new ATOM 0 HG13 VAL A 38 -15.511 1.486 -6.390 1.00 61.24 H new ATOM 0 HG21 VAL A 38 -15.369 -0.377 -8.847 1.00 34.15 H new ATOM 0 HG22 VAL A 38 -14.778 1.302 -8.851 1.00 34.15 H new ATOM 0 HG23 VAL A 38 -13.688 -0.026 -9.314 1.00 34.15 H new ATOM 631 N GLU A 39 -12.792 2.799 -8.552 1.00 20.34 N ATOM 632 CA GLU A 39 -13.042 4.138 -9.072 1.00 24.14 C ATOM 633 C GLU A 39 -14.083 4.103 -10.187 1.00 3.32 C ATOM 634 O GLU A 39 -14.946 4.976 -10.273 1.00 54.52 O ATOM 635 CB GLU A 39 -11.743 4.758 -9.591 1.00 24.14 C ATOM 636 CG GLU A 39 -10.495 4.002 -9.166 1.00 30.14 C ATOM 637 CD GLU A 39 -9.790 3.337 -10.332 1.00 33.31 C ATOM 638 OE1 GLU A 39 -9.842 3.891 -11.450 1.00 33.01 O ATOM 639 OE2 GLU A 39 -9.187 2.263 -10.127 1.00 74.41 O ATOM 0 H GLU A 39 -12.302 2.180 -9.198 1.00 20.34 H new ATOM 0 HA GLU A 39 -13.428 4.750 -8.257 1.00 24.14 H new ATOM 0 HB2 GLU A 39 -11.780 4.799 -10.680 1.00 24.14 H new ATOM 0 HB3 GLU A 39 -11.674 5.786 -9.235 1.00 24.14 H new ATOM 0 HG2 GLU A 39 -9.807 4.691 -8.675 1.00 30.14 H new ATOM 0 HG3 GLU A 39 -10.766 3.245 -8.431 1.00 30.14 H new ATOM 646 N LYS A 40 -13.994 3.088 -11.039 1.00 41.25 N ATOM 647 CA LYS A 40 -14.927 2.937 -12.150 1.00 10.13 C ATOM 648 C LYS A 40 -15.698 1.626 -12.038 1.00 31.24 C ATOM 649 O LYS A 40 -15.182 0.633 -11.525 1.00 24.13 O ATOM 650 CB LYS A 40 -14.178 2.988 -13.483 1.00 42.11 C ATOM 651 CG LYS A 40 -14.166 4.366 -14.122 1.00 4.24 C ATOM 652 CD LYS A 40 -13.364 5.357 -13.294 1.00 51.11 C ATOM 653 CE LYS A 40 -11.910 4.930 -13.168 1.00 22.01 C ATOM 654 NZ LYS A 40 -11.305 4.621 -14.493 1.00 53.14 N ATOM 0 H LYS A 40 -13.285 2.357 -10.982 1.00 41.25 H new ATOM 0 HA LYS A 40 -15.639 3.762 -12.109 1.00 10.13 H new ATOM 0 HB2 LYS A 40 -13.150 2.661 -13.325 1.00 42.11 H new ATOM 0 HB3 LYS A 40 -14.635 2.280 -14.174 1.00 42.11 H new ATOM 0 HG2 LYS A 40 -13.742 4.300 -15.124 1.00 4.24 H new ATOM 0 HG3 LYS A 40 -15.189 4.726 -14.232 1.00 4.24 H new ATOM 0 HD2 LYS A 40 -13.416 6.344 -13.755 1.00 51.11 H new ATOM 0 HD3 LYS A 40 -13.806 5.445 -12.301 1.00 51.11 H new ATOM 0 HE2 LYS A 40 -11.339 5.723 -12.684 1.00 22.01 H new ATOM 0 HE3 LYS A 40 -11.844 4.052 -12.525 1.00 22.01 H new ATOM 0 HZ1 LYS A 40 -10.425 4.085 -14.356 1.00 53.14 H new ATOM 0 HZ2 LYS A 40 -11.972 4.054 -15.055 1.00 53.14 H new ATOM 0 HZ3 LYS A 40 -11.096 5.508 -14.994 1.00 53.14 H new ATOM 668 N ASP A 41 -16.935 1.629 -12.522 1.00 13.24 N ATOM 669 CA ASP A 41 -17.777 0.439 -12.478 1.00 24.20 C ATOM 670 C ASP A 41 -19.199 0.762 -12.923 1.00 15.53 C ATOM 671 O ASP A 41 -19.844 1.656 -12.375 1.00 62.00 O ATOM 672 CB ASP A 41 -17.792 -0.150 -11.066 1.00 44.34 C ATOM 673 CG ASP A 41 -17.857 0.920 -9.994 1.00 25.21 C ATOM 674 OD1 ASP A 41 -18.412 2.004 -10.269 1.00 75.13 O ATOM 675 OD2 ASP A 41 -17.352 0.673 -8.879 1.00 32.43 O ATOM 0 H ASP A 41 -17.377 2.443 -12.950 1.00 13.24 H new ATOM 0 HA ASP A 41 -17.359 -0.297 -13.165 1.00 24.20 H new ATOM 0 HB2 ASP A 41 -18.648 -0.817 -10.962 1.00 44.34 H new ATOM 0 HB3 ASP A 41 -16.897 -0.755 -10.918 1.00 44.34 H new ATOM 680 N GLY A 42 -19.683 0.030 -13.921 1.00 74.41 N ATOM 681 CA GLY A 42 -21.026 0.255 -14.424 1.00 31.35 C ATOM 682 C GLY A 42 -21.114 0.109 -15.930 1.00 4.22 C ATOM 683 O GLY A 42 -21.863 0.830 -16.589 1.00 0.43 O ATOM 0 H GLY A 42 -19.169 -0.715 -14.391 1.00 74.41 H new ATOM 0 HA2 GLY A 42 -21.710 -0.451 -13.953 1.00 31.35 H new ATOM 0 HA3 GLY A 42 -21.354 1.255 -14.139 1.00 31.35 H new ATOM 687 N LYS A 43 -20.344 -0.825 -16.478 1.00 33.31 N ATOM 688 CA LYS A 43 -20.337 -1.064 -17.916 1.00 43.13 C ATOM 689 C LYS A 43 -19.810 0.155 -18.667 1.00 63.22 C ATOM 690 O LYS A 43 -20.021 1.292 -18.250 1.00 13.53 O ATOM 691 CB LYS A 43 -21.746 -1.407 -18.405 1.00 0.14 C ATOM 692 CG LYS A 43 -21.769 -2.436 -19.521 1.00 60.51 C ATOM 693 CD LYS A 43 -22.257 -3.787 -19.024 1.00 54.14 C ATOM 694 CE LYS A 43 -22.497 -4.751 -20.176 1.00 60.01 C ATOM 695 NZ LYS A 43 -23.937 -4.825 -20.547 1.00 34.43 N ATOM 0 H LYS A 43 -19.716 -1.429 -15.947 1.00 33.31 H new ATOM 0 HA LYS A 43 -19.675 -1.907 -18.115 1.00 43.13 H new ATOM 0 HB2 LYS A 43 -22.332 -1.781 -17.565 1.00 0.14 H new ATOM 0 HB3 LYS A 43 -22.233 -0.496 -18.752 1.00 0.14 H new ATOM 0 HG2 LYS A 43 -22.417 -2.087 -20.325 1.00 60.51 H new ATOM 0 HG3 LYS A 43 -20.769 -2.541 -19.941 1.00 60.51 H new ATOM 0 HD2 LYS A 43 -21.522 -4.211 -18.340 1.00 54.14 H new ATOM 0 HD3 LYS A 43 -23.180 -3.656 -18.459 1.00 54.14 H new ATOM 0 HE2 LYS A 43 -21.915 -4.435 -21.042 1.00 60.01 H new ATOM 0 HE3 LYS A 43 -22.142 -5.744 -19.899 1.00 60.01 H new ATOM 0 HZ1 LYS A 43 -24.250 -5.817 -20.529 1.00 34.43 H new ATOM 0 HZ2 LYS A 43 -24.499 -4.272 -19.869 1.00 34.43 H new ATOM 0 HZ3 LYS A 43 -24.070 -4.438 -21.503 1.00 34.43 H new ATOM 709 N GLY A 44 -19.123 -0.092 -19.779 1.00 12.20 N ATOM 710 CA GLY A 44 -18.578 0.995 -20.571 1.00 12.53 C ATOM 711 C GLY A 44 -17.668 0.506 -21.680 1.00 32.34 C ATOM 712 O GLY A 44 -17.509 1.172 -22.701 1.00 53.51 O ATOM 0 H GLY A 44 -18.934 -1.025 -20.145 1.00 12.20 H new ATOM 0 HA2 GLY A 44 -19.396 1.570 -21.004 1.00 12.53 H new ATOM 0 HA3 GLY A 44 -18.022 1.671 -19.921 1.00 12.53 H new ATOM 716 N ASN A 45 -17.068 -0.663 -21.477 1.00 45.44 N ATOM 717 CA ASN A 45 -16.166 -1.240 -22.468 1.00 33.11 C ATOM 718 C ASN A 45 -14.867 -0.445 -22.550 1.00 41.23 C ATOM 719 O ASN A 45 -14.686 0.543 -21.839 1.00 62.01 O ATOM 720 CB ASN A 45 -16.841 -1.280 -23.840 1.00 51.45 C ATOM 721 CG ASN A 45 -16.685 -2.625 -24.523 1.00 40.31 C ATOM 722 OD1 ASN A 45 -15.735 -3.361 -24.258 1.00 21.31 O ATOM 723 ND2 ASN A 45 -17.620 -2.951 -25.408 1.00 21.00 N ATOM 0 H ASN A 45 -17.190 -1.228 -20.637 1.00 45.44 H new ATOM 0 HA ASN A 45 -15.929 -2.258 -22.158 1.00 33.11 H new ATOM 0 HB2 ASN A 45 -17.901 -1.054 -23.727 1.00 51.45 H new ATOM 0 HB3 ASN A 45 -16.415 -0.502 -24.474 1.00 51.45 H new ATOM 0 HD21 ASN A 45 -17.568 -3.843 -25.900 1.00 21.00 H new ATOM 0 HD22 ASN A 45 -18.390 -2.309 -25.596 1.00 21.00 H new ATOM 730 N ALA A 46 -13.966 -0.883 -23.424 1.00 0.43 N ATOM 731 CA ALA A 46 -12.685 -0.211 -23.601 1.00 42.54 C ATOM 732 C ALA A 46 -12.880 1.264 -23.937 1.00 13.10 C ATOM 733 O ALA A 46 -11.988 2.084 -23.719 1.00 20.22 O ATOM 734 CB ALA A 46 -11.874 -0.899 -24.690 1.00 14.50 C ATOM 0 H ALA A 46 -14.100 -1.700 -24.020 1.00 0.43 H new ATOM 0 HA ALA A 46 -12.137 -0.273 -22.661 1.00 42.54 H new ATOM 0 HB1 ALA A 46 -10.920 -0.387 -24.812 1.00 14.50 H new ATOM 0 HB2 ALA A 46 -11.695 -1.937 -24.410 1.00 14.50 H new ATOM 0 HB3 ALA A 46 -12.425 -0.867 -25.630 1.00 14.50 H new ATOM 740 N ASP A 47 -14.052 1.595 -24.469 1.00 21.42 N ATOM 741 CA ASP A 47 -14.365 2.971 -24.834 1.00 45.34 C ATOM 742 C ASP A 47 -14.137 3.912 -23.655 1.00 32.31 C ATOM 743 O ASP A 47 -13.470 4.937 -23.787 1.00 14.41 O ATOM 744 CB ASP A 47 -15.812 3.077 -25.316 1.00 14.54 C ATOM 745 CG ASP A 47 -15.909 3.374 -26.799 1.00 52.12 C ATOM 746 OD1 ASP A 47 -15.107 4.193 -27.294 1.00 42.24 O ATOM 747 OD2 ASP A 47 -16.787 2.786 -27.465 1.00 43.52 O ATOM 0 H ASP A 47 -14.801 0.928 -24.657 1.00 21.42 H new ATOM 0 HA ASP A 47 -13.698 3.266 -25.644 1.00 45.34 H new ATOM 0 HB2 ASP A 47 -16.333 2.144 -25.101 1.00 14.54 H new ATOM 0 HB3 ASP A 47 -16.321 3.862 -24.757 1.00 14.54 H new ATOM 752 N GLU A 48 -14.697 3.555 -22.503 1.00 71.43 N ATOM 753 CA GLU A 48 -14.556 4.368 -21.302 1.00 14.45 C ATOM 754 C GLU A 48 -13.247 4.055 -20.583 1.00 13.34 C ATOM 755 O GLU A 48 -12.622 4.938 -19.994 1.00 55.24 O ATOM 756 CB GLU A 48 -15.738 4.133 -20.358 1.00 41.22 C ATOM 757 CG GLU A 48 -17.091 4.218 -21.044 1.00 41.05 C ATOM 758 CD GLU A 48 -17.380 5.601 -21.595 1.00 11.00 C ATOM 759 OE1 GLU A 48 -17.817 6.472 -20.814 1.00 22.21 O ATOM 760 OE2 GLU A 48 -17.169 5.812 -22.808 1.00 12.12 O ATOM 0 H GLU A 48 -15.252 2.709 -22.377 1.00 71.43 H new ATOM 0 HA GLU A 48 -14.543 5.415 -21.603 1.00 14.45 H new ATOM 0 HB2 GLU A 48 -15.635 3.150 -19.898 1.00 41.22 H new ATOM 0 HB3 GLU A 48 -15.701 4.867 -19.553 1.00 41.22 H new ATOM 0 HG2 GLU A 48 -17.128 3.492 -21.856 1.00 41.05 H new ATOM 0 HG3 GLU A 48 -17.872 3.943 -20.335 1.00 41.05 H new ATOM 767 N PHE A 49 -12.838 2.792 -20.634 1.00 74.10 N ATOM 768 CA PHE A 49 -11.605 2.361 -19.987 1.00 22.41 C ATOM 769 C PHE A 49 -10.395 3.060 -20.601 1.00 74.50 C ATOM 770 O PHE A 49 -9.394 3.298 -19.926 1.00 11.42 O ATOM 771 CB PHE A 49 -11.446 0.843 -20.105 1.00 5.43 C ATOM 772 CG PHE A 49 -10.385 0.280 -19.202 1.00 54.12 C ATOM 773 CD1 PHE A 49 -10.310 0.667 -17.874 1.00 13.11 C ATOM 774 CD2 PHE A 49 -9.463 -0.636 -19.682 1.00 74.13 C ATOM 775 CE1 PHE A 49 -9.336 0.150 -17.040 1.00 52.35 C ATOM 776 CE2 PHE A 49 -8.487 -1.157 -18.854 1.00 15.44 C ATOM 777 CZ PHE A 49 -8.423 -0.762 -17.531 1.00 41.05 C ATOM 0 H PHE A 49 -13.343 2.049 -21.117 1.00 74.10 H new ATOM 0 HA PHE A 49 -11.663 2.633 -18.933 1.00 22.41 H new ATOM 0 HB2 PHE A 49 -12.399 0.367 -19.874 1.00 5.43 H new ATOM 0 HB3 PHE A 49 -11.205 0.590 -21.137 1.00 5.43 H new ATOM 0 HD1 PHE A 49 -11.021 1.381 -17.485 1.00 13.11 H new ATOM 0 HD2 PHE A 49 -9.508 -0.947 -20.715 1.00 74.13 H new ATOM 0 HE1 PHE A 49 -9.289 0.459 -16.006 1.00 52.35 H new ATOM 0 HE2 PHE A 49 -7.775 -1.872 -19.240 1.00 15.44 H new ATOM 0 HZ PHE A 49 -7.660 -1.166 -16.882 1.00 41.05 H new ATOM 787 N ARG A 50 -10.496 3.384 -21.886 1.00 13.02 N ATOM 788 CA ARG A 50 -9.411 4.054 -22.592 1.00 61.43 C ATOM 789 C ARG A 50 -9.506 5.567 -22.425 1.00 41.44 C ATOM 790 O ARG A 50 -8.527 6.286 -22.622 1.00 12.44 O ATOM 791 CB ARG A 50 -9.441 3.691 -24.078 1.00 64.31 C ATOM 792 CG ARG A 50 -10.553 4.380 -24.851 1.00 42.23 C ATOM 793 CD ARG A 50 -9.998 5.395 -25.839 1.00 74.22 C ATOM 794 NE ARG A 50 -11.040 5.940 -26.706 1.00 4.32 N ATOM 795 CZ ARG A 50 -10.788 6.656 -27.796 1.00 41.30 C ATOM 796 NH1 ARG A 50 -9.536 6.911 -28.151 1.00 52.23 N ATOM 797 NH2 ARG A 50 -11.789 7.118 -28.534 1.00 14.43 N ATOM 0 H ARG A 50 -11.318 3.193 -22.459 1.00 13.02 H new ATOM 0 HA ARG A 50 -8.468 3.717 -22.161 1.00 61.43 H new ATOM 0 HB2 ARG A 50 -8.483 3.952 -24.527 1.00 64.31 H new ATOM 0 HB3 ARG A 50 -9.556 2.612 -24.177 1.00 64.31 H new ATOM 0 HG2 ARG A 50 -11.142 3.635 -25.385 1.00 42.23 H new ATOM 0 HG3 ARG A 50 -11.227 4.879 -24.155 1.00 42.23 H new ATOM 0 HD2 ARG A 50 -9.519 6.208 -25.293 1.00 74.22 H new ATOM 0 HD3 ARG A 50 -9.228 4.923 -26.450 1.00 74.22 H new ATOM 0 HE ARG A 50 -12.014 5.761 -26.461 1.00 4.32 H new ATOM 0 HH11 ARG A 50 -8.764 6.557 -27.587 1.00 52.23 H new ATOM 0 HH12 ARG A 50 -9.345 7.461 -28.989 1.00 52.23 H new ATOM 0 HH21 ARG A 50 -12.753 6.923 -28.265 1.00 14.43 H new ATOM 0 HH22 ARG A 50 -11.594 7.668 -29.371 1.00 14.43 H new ATOM 811 N GLY A 51 -10.693 6.044 -22.062 1.00 42.41 N ATOM 812 CA GLY A 51 -10.894 7.469 -21.876 1.00 10.52 C ATOM 813 C GLY A 51 -11.058 7.846 -20.417 1.00 24.04 C ATOM 814 O GLY A 51 -11.405 8.982 -20.097 1.00 54.41 O ATOM 0 H GLY A 51 -11.519 5.469 -21.894 1.00 42.41 H new ATOM 0 HA2 GLY A 51 -10.045 8.010 -22.295 1.00 10.52 H new ATOM 0 HA3 GLY A 51 -11.778 7.784 -22.431 1.00 10.52 H new ATOM 818 N ALA A 52 -10.808 6.889 -19.529 1.00 1.23 N ATOM 819 CA ALA A 52 -10.929 7.126 -18.096 1.00 12.44 C ATOM 820 C ALA A 52 -9.583 6.966 -17.397 1.00 35.43 C ATOM 821 O ALA A 52 -9.201 7.791 -16.567 1.00 2.25 O ATOM 822 CB ALA A 52 -11.957 6.182 -17.490 1.00 11.45 C ATOM 0 H ALA A 52 -10.520 5.942 -19.777 1.00 1.23 H new ATOM 0 HA ALA A 52 -11.264 8.153 -17.950 1.00 12.44 H new ATOM 0 HB1 ALA A 52 -12.037 6.370 -16.419 1.00 11.45 H new ATOM 0 HB2 ALA A 52 -12.926 6.348 -17.961 1.00 11.45 H new ATOM 0 HB3 ALA A 52 -11.646 5.151 -17.655 1.00 11.45 H new ATOM 828 N LEU A 53 -8.870 5.898 -17.737 1.00 4.15 N ATOM 829 CA LEU A 53 -7.566 5.628 -17.141 1.00 5.42 C ATOM 830 C LEU A 53 -6.657 6.849 -17.245 1.00 25.24 C ATOM 831 O LEU A 53 -6.206 7.228 -18.326 1.00 32.10 O ATOM 832 CB LEU A 53 -6.908 4.429 -17.826 1.00 32.13 C ATOM 833 CG LEU A 53 -7.215 3.059 -17.220 1.00 24.14 C ATOM 834 CD1 LEU A 53 -6.543 1.957 -18.024 1.00 62.01 C ATOM 835 CD2 LEU A 53 -6.769 3.007 -15.765 1.00 53.44 C ATOM 0 H LEU A 53 -9.172 5.205 -18.422 1.00 4.15 H new ATOM 0 HA LEU A 53 -7.717 5.398 -16.086 1.00 5.42 H new ATOM 0 HB2 LEU A 53 -7.216 4.419 -18.872 1.00 32.13 H new ATOM 0 HB3 LEU A 53 -5.828 4.576 -17.813 1.00 32.13 H new ATOM 0 HG LEU A 53 -8.293 2.901 -17.255 1.00 24.14 H new ATOM 0 HD11 LEU A 53 -6.773 0.989 -17.578 1.00 62.01 H new ATOM 0 HD12 LEU A 53 -6.910 1.980 -19.050 1.00 62.01 H new ATOM 0 HD13 LEU A 53 -5.464 2.111 -18.021 1.00 62.01 H new ATOM 0 HD21 LEU A 53 -6.995 2.025 -15.350 1.00 53.44 H new ATOM 0 HD22 LEU A 53 -5.696 3.187 -15.707 1.00 53.44 H new ATOM 0 HD23 LEU A 53 -7.296 3.772 -15.195 1.00 53.44 H new ATOM 847 N PRO A 54 -6.377 7.479 -16.094 1.00 35.22 N ATOM 848 CA PRO A 54 -5.517 8.664 -16.029 1.00 14.15 C ATOM 849 C PRO A 54 -4.056 8.337 -16.317 1.00 74.33 C ATOM 850 O PRO A 54 -3.531 7.330 -15.844 1.00 60.51 O ATOM 851 CB PRO A 54 -5.683 9.143 -14.584 1.00 43.21 C ATOM 852 CG PRO A 54 -6.067 7.922 -13.822 1.00 1.33 C ATOM 853 CD PRO A 54 -6.880 7.082 -14.768 1.00 3.24 C ATOM 0 HA PRO A 54 -5.793 9.410 -16.775 1.00 14.15 H new ATOM 0 HB2 PRO A 54 -4.758 9.574 -14.201 1.00 43.21 H new ATOM 0 HB3 PRO A 54 -6.449 9.914 -14.508 1.00 43.21 H new ATOM 0 HG2 PRO A 54 -5.184 7.381 -13.480 1.00 1.33 H new ATOM 0 HG3 PRO A 54 -6.645 8.181 -12.935 1.00 1.33 H new ATOM 0 HD2 PRO A 54 -6.736 6.017 -14.586 1.00 3.24 H new ATOM 0 HD3 PRO A 54 -7.947 7.281 -14.667 1.00 3.24 H new ATOM 861 N ALA A 55 -3.405 9.194 -17.096 1.00 54.34 N ATOM 862 CA ALA A 55 -2.004 8.997 -17.446 1.00 11.11 C ATOM 863 C ALA A 55 -1.086 9.511 -16.342 1.00 44.15 C ATOM 864 O ALA A 55 0.093 9.164 -16.292 1.00 25.13 O ATOM 865 CB ALA A 55 -1.687 9.688 -18.764 1.00 24.40 C ATOM 0 H ALA A 55 -3.826 10.032 -17.497 1.00 54.34 H new ATOM 0 HA ALA A 55 -1.830 7.927 -17.559 1.00 11.11 H new ATOM 0 HB1 ALA A 55 -0.637 9.533 -19.013 1.00 24.40 H new ATOM 0 HB2 ALA A 55 -2.313 9.271 -19.553 1.00 24.40 H new ATOM 0 HB3 ALA A 55 -1.884 10.756 -18.671 1.00 24.40 H new ATOM 871 N ASN A 56 -1.634 10.341 -15.461 1.00 51.11 N ATOM 872 CA ASN A 56 -0.863 10.904 -14.359 1.00 2.22 C ATOM 873 C ASN A 56 -0.629 9.862 -13.270 1.00 32.51 C ATOM 874 O ASN A 56 0.343 9.940 -12.519 1.00 2.30 O ATOM 875 CB ASN A 56 -1.585 12.118 -13.771 1.00 50.45 C ATOM 876 CG ASN A 56 -1.368 13.374 -14.594 1.00 4.03 C ATOM 877 OD1 ASN A 56 -1.656 13.403 -15.790 1.00 42.52 O ATOM 878 ND2 ASN A 56 -0.856 14.419 -13.953 1.00 54.14 N ATOM 0 H ASN A 56 -2.609 10.639 -15.489 1.00 51.11 H new ATOM 0 HA ASN A 56 0.104 11.219 -14.750 1.00 2.22 H new ATOM 0 HB2 ASN A 56 -2.653 11.907 -13.709 1.00 50.45 H new ATOM 0 HB3 ASN A 56 -1.234 12.288 -12.753 1.00 50.45 H new ATOM 0 HD21 ASN A 56 -0.686 15.291 -14.454 1.00 54.14 H new ATOM 0 HD22 ASN A 56 -0.632 14.349 -12.960 1.00 54.14 H new ATOM 885 N ASP A 57 -1.527 8.886 -13.191 1.00 21.51 N ATOM 886 CA ASP A 57 -1.418 7.826 -12.195 1.00 73.42 C ATOM 887 C ASP A 57 -1.660 6.459 -12.828 1.00 64.31 C ATOM 888 O ASP A 57 -1.996 6.361 -14.009 1.00 3.10 O ATOM 889 CB ASP A 57 -2.416 8.059 -11.060 1.00 32.02 C ATOM 890 CG ASP A 57 -2.068 9.275 -10.224 1.00 72.01 C ATOM 891 OD1 ASP A 57 -1.915 10.369 -10.805 1.00 44.41 O ATOM 892 OD2 ASP A 57 -1.949 9.132 -8.989 1.00 3.10 O ATOM 0 H ASP A 57 -2.338 8.807 -13.804 1.00 21.51 H new ATOM 0 HA ASP A 57 -0.407 7.845 -11.789 1.00 73.42 H new ATOM 0 HB2 ASP A 57 -3.415 8.183 -11.478 1.00 32.02 H new ATOM 0 HB3 ASP A 57 -2.446 7.178 -10.419 1.00 32.02 H new ATOM 897 N CYS A 58 -1.485 5.407 -12.036 1.00 62.31 N ATOM 898 CA CYS A 58 -1.682 4.045 -12.519 1.00 63.45 C ATOM 899 C CYS A 58 -2.988 3.463 -11.988 1.00 65.43 C ATOM 900 O CYS A 58 -3.421 3.791 -10.884 1.00 30.23 O ATOM 901 CB CYS A 58 -0.507 3.158 -12.102 1.00 52.51 C ATOM 902 SG CYS A 58 -0.918 1.939 -10.832 1.00 65.30 S ATOM 0 H CYS A 58 -1.207 5.471 -11.057 1.00 62.31 H new ATOM 0 HA CYS A 58 -1.735 4.076 -13.607 1.00 63.45 H new ATOM 0 HB2 CYS A 58 -0.129 2.637 -12.982 1.00 52.51 H new ATOM 0 HB3 CYS A 58 0.300 3.792 -11.735 1.00 52.51 H new ATOM 0 HG CYS A 58 0.138 1.236 -10.547 1.00 65.30 H new ATOM 908 N ARG A 59 -3.611 2.598 -12.783 1.00 4.52 N ATOM 909 CA ARG A 59 -4.869 1.973 -12.394 1.00 22.03 C ATOM 910 C ARG A 59 -5.083 0.665 -13.150 1.00 44.34 C ATOM 911 O ARG A 59 -4.754 0.559 -14.332 1.00 61.31 O ATOM 912 CB ARG A 59 -6.038 2.924 -12.656 1.00 72.43 C ATOM 913 CG ARG A 59 -6.525 3.649 -11.412 1.00 63.23 C ATOM 914 CD ARG A 59 -7.214 4.958 -11.764 1.00 74.43 C ATOM 915 NE ARG A 59 -7.838 5.578 -10.599 1.00 14.21 N ATOM 916 CZ ARG A 59 -8.697 6.589 -10.676 1.00 20.12 C ATOM 917 NH1 ARG A 59 -9.032 7.090 -11.857 1.00 1.03 N ATOM 918 NH2 ARG A 59 -9.223 7.100 -9.570 1.00 3.10 N ATOM 0 H ARG A 59 -3.265 2.315 -13.700 1.00 4.52 H new ATOM 0 HA ARG A 59 -4.822 1.752 -11.328 1.00 22.03 H new ATOM 0 HB2 ARG A 59 -5.736 3.661 -13.401 1.00 72.43 H new ATOM 0 HB3 ARG A 59 -6.866 2.359 -13.084 1.00 72.43 H new ATOM 0 HG2 ARG A 59 -7.216 3.009 -10.864 1.00 63.23 H new ATOM 0 HG3 ARG A 59 -5.681 3.847 -10.751 1.00 63.23 H new ATOM 0 HD2 ARG A 59 -6.487 5.646 -12.195 1.00 74.43 H new ATOM 0 HD3 ARG A 59 -7.971 4.776 -12.527 1.00 74.43 H new ATOM 0 HE ARG A 59 -7.602 5.215 -9.675 1.00 14.21 H new ATOM 0 HH11 ARG A 59 -8.630 6.699 -12.709 1.00 1.03 H new ATOM 0 HH12 ARG A 59 -9.692 7.866 -11.913 1.00 1.03 H new ATOM 0 HH21 ARG A 59 -8.968 6.717 -8.660 1.00 3.10 H new ATOM 0 HH22 ARG A 59 -9.882 7.876 -9.630 1.00 3.10 H new ATOM 932 N PHE A 60 -5.635 -0.328 -12.461 1.00 41.31 N ATOM 933 CA PHE A 60 -5.891 -1.629 -13.067 1.00 53.02 C ATOM 934 C PHE A 60 -7.388 -1.855 -13.257 1.00 53.03 C ATOM 935 O PHE A 60 -8.204 -1.380 -12.468 1.00 70.31 O ATOM 936 CB PHE A 60 -5.302 -2.744 -12.201 1.00 3.21 C ATOM 937 CG PHE A 60 -4.357 -2.246 -11.144 1.00 74.02 C ATOM 938 CD1 PHE A 60 -4.836 -1.806 -9.921 1.00 0.43 C ATOM 939 CD2 PHE A 60 -2.991 -2.219 -11.374 1.00 74.01 C ATOM 940 CE1 PHE A 60 -3.969 -1.346 -8.947 1.00 73.30 C ATOM 941 CE2 PHE A 60 -2.120 -1.761 -10.404 1.00 23.21 C ATOM 942 CZ PHE A 60 -2.609 -1.325 -9.188 1.00 74.24 C ATOM 0 H PHE A 60 -5.914 -0.256 -11.482 1.00 41.31 H new ATOM 0 HA PHE A 60 -5.411 -1.647 -14.045 1.00 53.02 H new ATOM 0 HB2 PHE A 60 -6.115 -3.289 -11.722 1.00 3.21 H new ATOM 0 HB3 PHE A 60 -4.777 -3.452 -12.842 1.00 3.21 H new ATOM 0 HD1 PHE A 60 -5.898 -1.822 -9.726 1.00 0.43 H new ATOM 0 HD2 PHE A 60 -2.603 -2.560 -12.322 1.00 74.01 H new ATOM 0 HE1 PHE A 60 -4.355 -1.003 -7.998 1.00 73.30 H new ATOM 0 HE2 PHE A 60 -1.057 -1.744 -10.597 1.00 23.21 H new ATOM 0 HZ PHE A 60 -1.930 -0.969 -8.428 1.00 74.24 H new ATOM 952 N GLY A 61 -7.742 -2.584 -14.312 1.00 3.31 N ATOM 953 CA GLY A 61 -9.139 -2.860 -14.588 1.00 54.30 C ATOM 954 C GLY A 61 -9.393 -4.324 -14.886 1.00 73.14 C ATOM 955 O GLY A 61 -8.567 -4.991 -15.509 1.00 43.44 O ATOM 0 H GLY A 61 -7.085 -2.988 -14.980 1.00 3.31 H new ATOM 0 HA2 GLY A 61 -9.742 -2.557 -13.732 1.00 54.30 H new ATOM 0 HA3 GLY A 61 -9.464 -2.258 -15.436 1.00 54.30 H new ATOM 959 N VAL A 62 -10.539 -4.828 -14.439 1.00 54.54 N ATOM 960 CA VAL A 62 -10.900 -6.223 -14.661 1.00 42.34 C ATOM 961 C VAL A 62 -11.964 -6.350 -15.746 1.00 3.41 C ATOM 962 O VAL A 62 -12.811 -5.471 -15.905 1.00 12.33 O ATOM 963 CB VAL A 62 -11.419 -6.881 -13.369 1.00 44.11 C ATOM 964 CG1 VAL A 62 -10.258 -7.357 -12.509 1.00 0.11 C ATOM 965 CG2 VAL A 62 -12.303 -5.914 -12.597 1.00 54.33 C ATOM 0 H VAL A 62 -11.234 -4.290 -13.921 1.00 54.54 H new ATOM 0 HA VAL A 62 -9.994 -6.737 -14.983 1.00 42.34 H new ATOM 0 HB VAL A 62 -12.020 -7.749 -13.640 1.00 44.11 H new ATOM 0 HG11 VAL A 62 -10.644 -7.819 -11.600 1.00 0.11 H new ATOM 0 HG12 VAL A 62 -9.668 -8.086 -13.065 1.00 0.11 H new ATOM 0 HG13 VAL A 62 -9.629 -6.507 -12.245 1.00 0.11 H new ATOM 0 HG21 VAL A 62 -12.661 -6.396 -11.687 1.00 54.33 H new ATOM 0 HG22 VAL A 62 -11.728 -5.025 -12.335 1.00 54.33 H new ATOM 0 HG23 VAL A 62 -13.154 -5.627 -13.214 1.00 54.33 H new ATOM 975 N TYR A 63 -11.914 -7.449 -16.490 1.00 30.03 N ATOM 976 CA TYR A 63 -12.873 -7.691 -17.561 1.00 44.34 C ATOM 977 C TYR A 63 -13.075 -9.186 -17.784 1.00 33.40 C ATOM 978 O TYR A 63 -12.172 -9.885 -18.243 1.00 63.22 O ATOM 979 CB TYR A 63 -12.398 -7.031 -18.857 1.00 50.31 C ATOM 980 CG TYR A 63 -13.089 -7.558 -20.094 1.00 34.30 C ATOM 981 CD1 TYR A 63 -14.447 -7.345 -20.299 1.00 32.33 C ATOM 982 CD2 TYR A 63 -12.386 -8.270 -21.057 1.00 64.32 C ATOM 983 CE1 TYR A 63 -15.084 -7.826 -21.427 1.00 5.02 C ATOM 984 CE2 TYR A 63 -13.013 -8.753 -22.189 1.00 32.30 C ATOM 985 CZ TYR A 63 -14.362 -8.529 -22.369 1.00 52.12 C ATOM 986 OH TYR A 63 -14.991 -9.010 -23.495 1.00 13.44 O ATOM 0 H TYR A 63 -11.219 -8.187 -16.371 1.00 30.03 H new ATOM 0 HA TYR A 63 -13.827 -7.254 -17.266 1.00 44.34 H new ATOM 0 HB2 TYR A 63 -12.563 -5.956 -18.789 1.00 50.31 H new ATOM 0 HB3 TYR A 63 -11.323 -7.182 -18.959 1.00 50.31 H new ATOM 0 HD1 TYR A 63 -15.014 -6.794 -19.564 1.00 32.33 H new ATOM 0 HD2 TYR A 63 -11.330 -8.449 -20.918 1.00 64.32 H new ATOM 0 HE1 TYR A 63 -16.140 -7.653 -21.570 1.00 5.02 H new ATOM 0 HE2 TYR A 63 -12.450 -9.303 -22.929 1.00 32.30 H new ATOM 0 HH TYR A 63 -14.341 -9.481 -24.057 1.00 13.44 H new ATOM 996 N ASP A 64 -14.268 -9.670 -17.456 1.00 31.24 N ATOM 997 CA ASP A 64 -14.592 -11.082 -17.621 1.00 32.55 C ATOM 998 C ASP A 64 -14.300 -11.544 -19.045 1.00 20.32 C ATOM 999 O ASP A 64 -15.070 -11.271 -19.967 1.00 21.54 O ATOM 1000 CB ASP A 64 -16.062 -11.333 -17.281 1.00 73.33 C ATOM 1001 CG ASP A 64 -16.365 -12.804 -17.072 1.00 13.14 C ATOM 1002 OD1 ASP A 64 -15.407 -13.600 -16.982 1.00 14.42 O ATOM 1003 OD2 ASP A 64 -17.561 -13.159 -16.998 1.00 65.20 O ATOM 0 H ASP A 64 -15.027 -9.105 -17.074 1.00 31.24 H new ATOM 0 HA ASP A 64 -13.966 -11.655 -16.937 1.00 32.55 H new ATOM 0 HB2 ASP A 64 -16.323 -10.780 -16.379 1.00 73.33 H new ATOM 0 HB3 ASP A 64 -16.689 -10.946 -18.085 1.00 73.33 H new ATOM 1008 N CYS A 65 -13.184 -12.243 -19.217 1.00 63.31 N ATOM 1009 CA CYS A 65 -12.789 -12.742 -20.530 1.00 5.42 C ATOM 1010 C CYS A 65 -13.431 -14.096 -20.813 1.00 42.44 C ATOM 1011 O CYS A 65 -13.118 -14.746 -21.809 1.00 65.52 O ATOM 1012 CB CYS A 65 -11.266 -12.857 -20.617 1.00 71.33 C ATOM 1013 SG CYS A 65 -10.606 -12.659 -22.289 1.00 5.33 S ATOM 0 H CYS A 65 -12.537 -12.477 -18.464 1.00 63.31 H new ATOM 0 HA CYS A 65 -13.136 -12.032 -21.281 1.00 5.42 H new ATOM 0 HB2 CYS A 65 -10.818 -12.104 -19.969 1.00 71.33 H new ATOM 0 HB3 CYS A 65 -10.963 -13.830 -20.231 1.00 71.33 H new ATOM 0 HG CYS A 65 -9.311 -12.770 -22.260 1.00 5.33 H new ATOM 1019 N GLY A 66 -14.331 -14.515 -19.929 1.00 2.01 N ATOM 1020 CA GLY A 66 -15.002 -15.790 -20.101 1.00 24.31 C ATOM 1021 C GLY A 66 -14.343 -16.903 -19.310 1.00 32.04 C ATOM 1022 O GLY A 66 -15.022 -17.696 -18.659 1.00 21.30 O ATOM 0 H GLY A 66 -14.607 -13.994 -19.097 1.00 2.01 H new ATOM 0 HA2 GLY A 66 -16.042 -15.694 -19.790 1.00 24.31 H new ATOM 0 HA3 GLY A 66 -15.008 -16.054 -21.158 1.00 24.31 H new ATOM 1026 N ASN A 67 -13.017 -16.963 -19.367 1.00 3.34 N ATOM 1027 CA ASN A 67 -12.266 -17.988 -18.651 1.00 73.41 C ATOM 1028 C ASN A 67 -11.385 -17.365 -17.573 1.00 64.13 C ATOM 1029 O ASN A 67 -11.451 -17.745 -16.404 1.00 61.52 O ATOM 1030 CB ASN A 67 -11.406 -18.794 -19.627 1.00 30.13 C ATOM 1031 CG ASN A 67 -11.673 -20.284 -19.538 1.00 24.32 C ATOM 1032 OD1 ASN A 67 -11.856 -20.955 -20.554 1.00 20.13 O ATOM 1033 ND2 ASN A 67 -11.696 -20.809 -18.318 1.00 64.42 N ATOM 0 H ASN A 67 -12.440 -16.314 -19.902 1.00 3.34 H new ATOM 0 HA ASN A 67 -12.980 -18.656 -18.169 1.00 73.41 H new ATOM 0 HB2 ASN A 67 -11.599 -18.453 -20.644 1.00 30.13 H new ATOM 0 HB3 ASN A 67 -10.353 -18.603 -19.422 1.00 30.13 H new ATOM 0 HD21 ASN A 67 -11.871 -21.806 -18.195 1.00 64.42 H new ATOM 0 HD22 ASN A 67 -11.539 -20.215 -17.504 1.00 64.42 H new ATOM 1040 N LYS A 68 -10.559 -16.404 -17.975 1.00 31.34 N ATOM 1041 CA LYS A 68 -9.665 -15.726 -17.044 1.00 43.55 C ATOM 1042 C LYS A 68 -9.908 -14.220 -17.056 1.00 51.24 C ATOM 1043 O LYS A 68 -10.588 -13.699 -17.941 1.00 14.22 O ATOM 1044 CB LYS A 68 -8.206 -16.020 -17.401 1.00 2.11 C ATOM 1045 CG LYS A 68 -7.767 -15.409 -18.720 1.00 42.13 C ATOM 1046 CD LYS A 68 -8.207 -16.257 -19.902 1.00 21.34 C ATOM 1047 CE LYS A 68 -9.036 -15.450 -20.889 1.00 65.54 C ATOM 1048 NZ LYS A 68 -8.649 -15.734 -22.299 1.00 40.03 N ATOM 0 H LYS A 68 -10.491 -16.078 -18.939 1.00 31.34 H new ATOM 0 HA LYS A 68 -9.871 -16.102 -16.042 1.00 43.55 H new ATOM 0 HB2 LYS A 68 -7.563 -15.645 -16.605 1.00 2.11 H new ATOM 0 HB3 LYS A 68 -8.062 -17.100 -17.445 1.00 2.11 H new ATOM 0 HG2 LYS A 68 -8.185 -14.407 -18.815 1.00 42.13 H new ATOM 0 HG3 LYS A 68 -6.682 -15.304 -18.730 1.00 42.13 H new ATOM 0 HD2 LYS A 68 -7.330 -16.662 -20.407 1.00 21.34 H new ATOM 0 HD3 LYS A 68 -8.789 -17.106 -19.545 1.00 21.34 H new ATOM 0 HE2 LYS A 68 -10.092 -15.679 -20.749 1.00 65.54 H new ATOM 0 HE3 LYS A 68 -8.911 -14.387 -20.685 1.00 65.54 H new ATOM 0 HZ1 LYS A 68 -9.236 -15.165 -22.942 1.00 40.03 H new ATOM 0 HZ2 LYS A 68 -7.647 -15.492 -22.440 1.00 40.03 H new ATOM 0 HZ3 LYS A 68 -8.793 -16.744 -22.502 1.00 40.03 H new ATOM 1062 N ILE A 69 -9.347 -13.527 -16.071 1.00 55.42 N ATOM 1063 CA ILE A 69 -9.502 -12.081 -15.971 1.00 51.30 C ATOM 1064 C ILE A 69 -8.188 -11.366 -16.266 1.00 40.51 C ATOM 1065 O ILE A 69 -7.364 -11.169 -15.374 1.00 24.13 O ATOM 1066 CB ILE A 69 -9.998 -11.663 -14.574 1.00 74.02 C ATOM 1067 CG1 ILE A 69 -11.451 -12.099 -14.374 1.00 33.02 C ATOM 1068 CG2 ILE A 69 -9.861 -10.159 -14.391 1.00 41.00 C ATOM 1069 CD1 ILE A 69 -11.614 -13.591 -14.183 1.00 3.21 C ATOM 0 H ILE A 69 -8.781 -13.943 -15.331 1.00 55.42 H new ATOM 0 HA ILE A 69 -10.246 -11.791 -16.713 1.00 51.30 H new ATOM 0 HB ILE A 69 -9.383 -12.158 -13.823 1.00 74.02 H new ATOM 0 HG12 ILE A 69 -11.860 -11.583 -13.506 1.00 33.02 H new ATOM 0 HG13 ILE A 69 -12.038 -11.785 -15.237 1.00 33.02 H new ATOM 0 HG21 ILE A 69 -10.216 -9.879 -13.399 1.00 41.00 H new ATOM 0 HG22 ILE A 69 -8.814 -9.874 -14.496 1.00 41.00 H new ATOM 0 HG23 ILE A 69 -10.455 -9.645 -15.147 1.00 41.00 H new ATOM 0 HD11 ILE A 69 -12.669 -13.827 -14.047 1.00 3.21 H new ATOM 0 HD12 ILE A 69 -11.235 -14.114 -15.061 1.00 3.21 H new ATOM 0 HD13 ILE A 69 -11.055 -13.908 -13.303 1.00 3.21 H new ATOM 1081 N GLN A 70 -8.001 -10.977 -17.523 1.00 72.45 N ATOM 1082 CA GLN A 70 -6.787 -10.283 -17.936 1.00 13.44 C ATOM 1083 C GLN A 70 -6.875 -8.795 -17.612 1.00 52.20 C ATOM 1084 O GLN A 70 -7.580 -8.043 -18.285 1.00 74.13 O ATOM 1085 CB GLN A 70 -6.547 -10.477 -19.434 1.00 24.54 C ATOM 1086 CG GLN A 70 -5.202 -9.950 -19.907 1.00 51.54 C ATOM 1087 CD GLN A 70 -5.326 -9.025 -21.103 1.00 34.25 C ATOM 1088 OE1 GLN A 70 -6.314 -9.070 -21.836 1.00 51.15 O ATOM 1089 NE2 GLN A 70 -4.322 -8.180 -21.304 1.00 53.15 N ATOM 0 H GLN A 70 -8.675 -11.131 -18.273 1.00 72.45 H new ATOM 0 HA GLN A 70 -5.949 -10.709 -17.383 1.00 13.44 H new ATOM 0 HB2 GLN A 70 -6.615 -11.539 -19.670 1.00 24.54 H new ATOM 0 HB3 GLN A 70 -7.340 -9.975 -19.989 1.00 24.54 H new ATOM 0 HG2 GLN A 70 -4.717 -9.417 -19.089 1.00 51.54 H new ATOM 0 HG3 GLN A 70 -4.558 -10.790 -20.167 1.00 51.54 H new ATOM 0 HE21 GLN A 70 -3.523 -8.178 -20.670 1.00 53.15 H new ATOM 0 HE22 GLN A 70 -4.350 -7.533 -22.092 1.00 53.15 H new ATOM 1098 N PHE A 71 -6.155 -8.376 -16.577 1.00 2.02 N ATOM 1099 CA PHE A 71 -6.152 -6.978 -16.163 1.00 15.33 C ATOM 1100 C PHE A 71 -4.774 -6.354 -16.361 1.00 72.05 C ATOM 1101 O PHE A 71 -3.775 -6.851 -15.842 1.00 44.12 O ATOM 1102 CB PHE A 71 -6.573 -6.857 -14.696 1.00 64.34 C ATOM 1103 CG PHE A 71 -5.570 -7.431 -13.736 1.00 42.15 C ATOM 1104 CD1 PHE A 71 -5.474 -8.800 -13.550 1.00 62.54 C ATOM 1105 CD2 PHE A 71 -4.724 -6.600 -13.020 1.00 25.22 C ATOM 1106 CE1 PHE A 71 -4.552 -9.332 -12.668 1.00 42.41 C ATOM 1107 CE2 PHE A 71 -3.799 -7.126 -12.137 1.00 14.55 C ATOM 1108 CZ PHE A 71 -3.714 -8.493 -11.960 1.00 13.35 C ATOM 0 H PHE A 71 -5.566 -8.985 -16.009 1.00 2.02 H new ATOM 0 HA PHE A 71 -6.867 -6.440 -16.785 1.00 15.33 H new ATOM 0 HB2 PHE A 71 -6.732 -5.805 -14.457 1.00 64.34 H new ATOM 0 HB3 PHE A 71 -7.528 -7.363 -14.557 1.00 64.34 H new ATOM 0 HD1 PHE A 71 -6.128 -9.460 -14.101 1.00 62.54 H new ATOM 0 HD2 PHE A 71 -4.788 -5.530 -13.153 1.00 25.22 H new ATOM 0 HE1 PHE A 71 -4.487 -10.402 -12.533 1.00 42.41 H new ATOM 0 HE2 PHE A 71 -3.143 -6.468 -11.586 1.00 14.55 H new ATOM 0 HZ PHE A 71 -2.993 -8.905 -11.269 1.00 13.35 H new ATOM 1118 N VAL A 72 -4.729 -5.262 -17.118 1.00 1.22 N ATOM 1119 CA VAL A 72 -3.474 -4.569 -17.386 1.00 14.23 C ATOM 1120 C VAL A 72 -3.526 -3.128 -16.891 1.00 52.42 C ATOM 1121 O VAL A 72 -4.596 -2.522 -16.821 1.00 54.32 O ATOM 1122 CB VAL A 72 -3.141 -4.572 -18.889 1.00 72.45 C ATOM 1123 CG1 VAL A 72 -3.319 -5.966 -19.473 1.00 11.13 C ATOM 1124 CG2 VAL A 72 -4.005 -3.562 -19.629 1.00 14.14 C ATOM 0 H VAL A 72 -5.547 -4.838 -17.556 1.00 1.22 H new ATOM 0 HA VAL A 72 -2.694 -5.107 -16.848 1.00 14.23 H new ATOM 0 HB VAL A 72 -2.097 -4.282 -19.012 1.00 72.45 H new ATOM 0 HG11 VAL A 72 -3.079 -5.948 -20.536 1.00 11.13 H new ATOM 0 HG12 VAL A 72 -2.654 -6.662 -18.962 1.00 11.13 H new ATOM 0 HG13 VAL A 72 -4.352 -6.287 -19.339 1.00 11.13 H new ATOM 0 HG21 VAL A 72 -3.756 -3.578 -20.690 1.00 14.14 H new ATOM 0 HG22 VAL A 72 -5.056 -3.818 -19.499 1.00 14.14 H new ATOM 0 HG23 VAL A 72 -3.823 -2.565 -19.229 1.00 14.14 H new ATOM 1134 N LEU A 73 -2.364 -2.583 -16.550 1.00 23.25 N ATOM 1135 CA LEU A 73 -2.275 -1.211 -16.061 1.00 73.35 C ATOM 1136 C LEU A 73 -1.078 -0.492 -16.674 1.00 11.51 C ATOM 1137 O LEU A 73 -0.061 -1.112 -16.984 1.00 2.51 O ATOM 1138 CB LEU A 73 -2.167 -1.198 -14.536 1.00 11.13 C ATOM 1139 CG LEU A 73 -0.807 -1.588 -13.956 1.00 10.12 C ATOM 1140 CD1 LEU A 73 -0.325 -2.898 -14.559 1.00 35.31 C ATOM 1141 CD2 LEU A 73 0.211 -0.483 -14.195 1.00 4.43 C ATOM 0 H LEU A 73 -1.469 -3.070 -16.603 1.00 23.25 H new ATOM 0 HA LEU A 73 -3.182 -0.685 -16.358 1.00 73.35 H new ATOM 0 HB2 LEU A 73 -2.417 -0.198 -14.183 1.00 11.13 H new ATOM 0 HB3 LEU A 73 -2.919 -1.876 -14.133 1.00 11.13 H new ATOM 0 HG LEU A 73 -0.918 -1.726 -12.881 1.00 10.12 H new ATOM 0 HD11 LEU A 73 0.644 -3.159 -14.134 1.00 35.31 H new ATOM 0 HD12 LEU A 73 -1.043 -3.687 -14.336 1.00 35.31 H new ATOM 0 HD13 LEU A 73 -0.230 -2.788 -15.639 1.00 35.31 H new ATOM 0 HD21 LEU A 73 1.173 -0.778 -13.776 1.00 4.43 H new ATOM 0 HD22 LEU A 73 0.319 -0.313 -15.266 1.00 4.43 H new ATOM 0 HD23 LEU A 73 -0.128 0.435 -13.715 1.00 4.43 H new ATOM 1153 N TRP A 74 -1.206 0.819 -16.843 1.00 51.43 N ATOM 1154 CA TRP A 74 -0.133 1.624 -17.417 1.00 13.23 C ATOM 1155 C TRP A 74 0.540 2.476 -16.346 1.00 62.33 C ATOM 1156 O TRP A 74 -0.128 3.053 -15.488 1.00 33.22 O ATOM 1157 CB TRP A 74 -0.679 2.520 -18.530 1.00 30.01 C ATOM 1158 CG TRP A 74 -1.662 1.825 -19.423 1.00 41.41 C ATOM 1159 CD1 TRP A 74 -1.535 0.581 -19.970 1.00 62.52 C ATOM 1160 CD2 TRP A 74 -2.921 2.337 -19.874 1.00 3.31 C ATOM 1161 NE1 TRP A 74 -2.639 0.288 -20.734 1.00 21.30 N ATOM 1162 CE2 TRP A 74 -3.504 1.349 -20.690 1.00 71.25 C ATOM 1163 CE3 TRP A 74 -3.613 3.533 -19.666 1.00 2.33 C ATOM 1164 CZ2 TRP A 74 -4.745 1.522 -21.298 1.00 2.51 C ATOM 1165 CZ3 TRP A 74 -4.844 3.704 -20.270 1.00 1.35 C ATOM 1166 CH2 TRP A 74 -5.400 2.703 -21.077 1.00 12.30 C ATOM 0 H TRP A 74 -2.041 1.347 -16.591 1.00 51.43 H new ATOM 0 HA TRP A 74 0.611 0.947 -17.837 1.00 13.23 H new ATOM 0 HB2 TRP A 74 -1.158 3.391 -18.083 1.00 30.01 H new ATOM 0 HB3 TRP A 74 0.152 2.887 -19.132 1.00 30.01 H new ATOM 0 HD1 TRP A 74 -0.691 -0.077 -19.824 1.00 62.52 H new ATOM 0 HE1 TRP A 74 -2.790 -0.579 -21.250 1.00 21.30 H new ATOM 0 HE3 TRP A 74 -3.193 4.310 -19.044 1.00 2.33 H new ATOM 0 HZ2 TRP A 74 -5.175 0.752 -21.921 1.00 2.51 H new ATOM 0 HZ3 TRP A 74 -5.387 4.625 -20.117 1.00 1.35 H new ATOM 0 HH2 TRP A 74 -6.365 2.867 -21.534 1.00 12.30 H new ATOM 1177 N CYS A 75 1.865 2.550 -16.403 1.00 2.13 N ATOM 1178 CA CYS A 75 2.629 3.332 -15.437 1.00 30.35 C ATOM 1179 C CYS A 75 2.629 4.810 -15.812 1.00 24.02 C ATOM 1180 O CYS A 75 2.933 5.188 -16.943 1.00 44.43 O ATOM 1181 CB CYS A 75 4.066 2.814 -15.352 1.00 54.03 C ATOM 1182 SG CYS A 75 4.194 1.019 -15.181 1.00 25.34 S ATOM 0 H CYS A 75 2.432 2.078 -17.107 1.00 2.13 H new ATOM 0 HA CYS A 75 2.154 3.224 -14.462 1.00 30.35 H new ATOM 0 HB2 CYS A 75 4.606 3.122 -16.247 1.00 54.03 H new ATOM 0 HB3 CYS A 75 4.561 3.285 -14.503 1.00 54.03 H new ATOM 0 HG CYS A 75 5.383 0.633 -15.538 1.00 25.34 H new ATOM 1188 N PRO A 76 2.279 5.667 -14.841 1.00 42.15 N ATOM 1189 CA PRO A 76 2.230 7.118 -15.046 1.00 61.24 C ATOM 1190 C PRO A 76 3.618 7.726 -15.218 1.00 12.30 C ATOM 1191 O PRO A 76 4.563 7.344 -14.528 1.00 62.13 O ATOM 1192 CB PRO A 76 1.574 7.635 -13.764 1.00 2.32 C ATOM 1193 CG PRO A 76 1.880 6.600 -12.738 1.00 31.45 C ATOM 1194 CD PRO A 76 1.905 5.286 -13.469 1.00 54.22 C ATOM 0 HA PRO A 76 1.689 7.384 -15.954 1.00 61.24 H new ATOM 0 HB2 PRO A 76 1.976 8.607 -13.478 1.00 2.32 H new ATOM 0 HB3 PRO A 76 0.499 7.760 -13.892 1.00 2.32 H new ATOM 0 HG2 PRO A 76 2.839 6.798 -12.258 1.00 31.45 H new ATOM 0 HG3 PRO A 76 1.125 6.595 -11.952 1.00 31.45 H new ATOM 0 HD2 PRO A 76 2.628 4.597 -13.032 1.00 54.22 H new ATOM 0 HD3 PRO A 76 0.934 4.791 -13.440 1.00 54.22 H new ATOM 1202 N ASP A 77 3.733 8.675 -16.141 1.00 33.13 N ATOM 1203 CA ASP A 77 5.005 9.338 -16.402 1.00 22.34 C ATOM 1204 C ASP A 77 5.180 10.553 -15.497 1.00 3.41 C ATOM 1205 O ASP A 77 6.180 11.265 -15.584 1.00 54.54 O ATOM 1206 CB ASP A 77 5.093 9.761 -17.869 1.00 14.33 C ATOM 1207 CG ASP A 77 4.545 8.706 -18.810 1.00 13.45 C ATOM 1208 OD1 ASP A 77 5.225 7.679 -19.009 1.00 21.44 O ATOM 1209 OD2 ASP A 77 3.436 8.909 -19.348 1.00 32.04 O ATOM 0 H ASP A 77 2.960 9.002 -16.721 1.00 33.13 H new ATOM 0 HA ASP A 77 5.806 8.630 -16.188 1.00 22.34 H new ATOM 0 HB2 ASP A 77 4.542 10.691 -18.010 1.00 14.33 H new ATOM 0 HB3 ASP A 77 6.133 9.966 -18.123 1.00 14.33 H new ATOM 1214 N ASN A 78 4.201 10.785 -14.629 1.00 74.20 N ATOM 1215 CA ASN A 78 4.246 11.916 -13.709 1.00 73.32 C ATOM 1216 C ASN A 78 4.934 11.528 -12.404 1.00 31.01 C ATOM 1217 O ASN A 78 5.557 12.362 -11.747 1.00 73.13 O ATOM 1218 CB ASN A 78 2.831 12.423 -13.422 1.00 21.22 C ATOM 1219 CG ASN A 78 2.772 13.934 -13.303 1.00 75.51 C ATOM 1220 OD1 ASN A 78 2.310 14.470 -12.296 1.00 3.43 O ATOM 1221 ND2 ASN A 78 3.239 14.627 -14.335 1.00 21.23 N ATOM 0 H ASN A 78 3.366 10.205 -14.543 1.00 74.20 H new ATOM 0 HA ASN A 78 4.822 12.713 -14.180 1.00 73.32 H new ATOM 0 HB2 ASN A 78 2.163 12.098 -14.219 1.00 21.22 H new ATOM 0 HB3 ASN A 78 2.467 11.974 -12.498 1.00 21.22 H new ATOM 0 HD21 ASN A 78 3.224 15.647 -14.313 1.00 21.23 H new ATOM 0 HD22 ASN A 78 3.613 14.140 -15.149 1.00 21.23 H new ATOM 1228 N ALA A 79 4.817 10.257 -12.035 1.00 21.34 N ATOM 1229 CA ALA A 79 5.430 9.758 -10.810 1.00 32.52 C ATOM 1230 C ALA A 79 5.144 8.272 -10.619 1.00 65.33 C ATOM 1231 O ALA A 79 4.367 7.870 -9.754 1.00 14.35 O ATOM 1232 CB ALA A 79 4.933 10.550 -9.610 1.00 51.41 C ATOM 0 H ALA A 79 4.304 9.554 -12.567 1.00 21.34 H new ATOM 0 HA ALA A 79 6.509 9.887 -10.895 1.00 32.52 H new ATOM 0 HB1 ALA A 79 5.399 10.166 -8.702 1.00 51.41 H new ATOM 0 HB2 ALA A 79 5.193 11.601 -9.735 1.00 51.41 H new ATOM 0 HB3 ALA A 79 3.850 10.451 -9.532 1.00 51.41 H new ATOM 1238 N PRO A 80 5.787 7.434 -11.447 1.00 2.14 N ATOM 1239 CA PRO A 80 5.618 5.979 -11.388 1.00 51.24 C ATOM 1240 C PRO A 80 6.239 5.373 -10.134 1.00 54.04 C ATOM 1241 O PRO A 80 5.814 4.316 -9.668 1.00 71.21 O ATOM 1242 CB PRO A 80 6.350 5.487 -12.639 1.00 62.41 C ATOM 1243 CG PRO A 80 7.357 6.545 -12.930 1.00 40.43 C ATOM 1244 CD PRO A 80 6.729 7.843 -12.502 1.00 60.12 C ATOM 0 HA PRO A 80 4.567 5.692 -11.351 1.00 51.24 H new ATOM 0 HB2 PRO A 80 6.828 4.523 -12.464 1.00 62.41 H new ATOM 0 HB3 PRO A 80 5.662 5.355 -13.474 1.00 62.41 H new ATOM 0 HG2 PRO A 80 8.284 6.362 -12.386 1.00 40.43 H new ATOM 0 HG3 PRO A 80 7.608 6.564 -13.991 1.00 40.43 H new ATOM 0 HD2 PRO A 80 7.473 8.545 -12.126 1.00 60.12 H new ATOM 0 HD3 PRO A 80 6.217 8.334 -13.330 1.00 60.12 H new ATOM 1252 N VAL A 81 7.246 6.050 -9.592 1.00 20.41 N ATOM 1253 CA VAL A 81 7.924 5.578 -8.390 1.00 43.34 C ATOM 1254 C VAL A 81 6.922 5.210 -7.302 1.00 40.12 C ATOM 1255 O VAL A 81 7.206 4.385 -6.434 1.00 23.21 O ATOM 1256 CB VAL A 81 8.895 6.640 -7.841 1.00 1.33 C ATOM 1257 CG1 VAL A 81 8.165 7.949 -7.583 1.00 53.42 C ATOM 1258 CG2 VAL A 81 9.571 6.139 -6.573 1.00 73.14 C ATOM 0 H VAL A 81 7.610 6.926 -9.966 1.00 20.41 H new ATOM 0 HA VAL A 81 8.490 4.690 -8.673 1.00 43.34 H new ATOM 0 HB VAL A 81 9.666 6.823 -8.589 1.00 1.33 H new ATOM 0 HG11 VAL A 81 8.867 8.687 -7.195 1.00 53.42 H new ATOM 0 HG12 VAL A 81 7.732 8.314 -8.514 1.00 53.42 H new ATOM 0 HG13 VAL A 81 7.371 7.785 -6.854 1.00 53.42 H new ATOM 0 HG21 VAL A 81 10.254 6.902 -6.199 1.00 73.14 H new ATOM 0 HG22 VAL A 81 8.815 5.926 -5.817 1.00 73.14 H new ATOM 0 HG23 VAL A 81 10.129 5.229 -6.793 1.00 73.14 H new ATOM 1268 N LYS A 82 5.747 5.827 -7.355 1.00 14.32 N ATOM 1269 CA LYS A 82 4.699 5.564 -6.375 1.00 42.32 C ATOM 1270 C LYS A 82 3.963 4.269 -6.700 1.00 71.34 C ATOM 1271 O LYS A 82 4.014 3.293 -5.952 1.00 21.33 O ATOM 1272 CB LYS A 82 3.708 6.730 -6.332 1.00 61.44 C ATOM 1273 CG LYS A 82 3.827 7.584 -5.082 1.00 45.13 C ATOM 1274 CD LYS A 82 4.004 9.054 -5.426 1.00 74.31 C ATOM 1275 CE LYS A 82 4.752 9.797 -4.330 1.00 71.30 C ATOM 1276 NZ LYS A 82 4.238 11.182 -4.149 1.00 13.44 N ATOM 0 H LYS A 82 5.496 6.513 -8.067 1.00 14.32 H new ATOM 0 HA LYS A 82 5.169 5.458 -5.397 1.00 42.32 H new ATOM 0 HB2 LYS A 82 3.863 7.360 -7.208 1.00 61.44 H new ATOM 0 HB3 LYS A 82 2.694 6.336 -6.398 1.00 61.44 H new ATOM 0 HG2 LYS A 82 2.935 7.458 -4.468 1.00 45.13 H new ATOM 0 HG3 LYS A 82 4.675 7.244 -4.487 1.00 45.13 H new ATOM 0 HD2 LYS A 82 4.548 9.146 -6.366 1.00 74.31 H new ATOM 0 HD3 LYS A 82 3.027 9.514 -5.577 1.00 74.31 H new ATOM 0 HE2 LYS A 82 4.659 9.250 -3.392 1.00 71.30 H new ATOM 0 HE3 LYS A 82 5.814 9.833 -4.575 1.00 71.30 H new ATOM 0 HZ1 LYS A 82 4.774 11.655 -3.393 1.00 13.44 H new ATOM 0 HZ2 LYS A 82 4.349 11.712 -5.037 1.00 13.44 H new ATOM 0 HZ3 LYS A 82 3.231 11.148 -3.890 1.00 13.44 H new ATOM 1290 N PRO A 83 3.262 4.256 -7.844 1.00 43.21 N ATOM 1291 CA PRO A 83 2.504 3.086 -8.295 1.00 60.52 C ATOM 1292 C PRO A 83 3.411 1.937 -8.724 1.00 2.21 C ATOM 1293 O PRO A 83 3.269 0.811 -8.248 1.00 61.31 O ATOM 1294 CB PRO A 83 1.711 3.616 -9.492 1.00 41.12 C ATOM 1295 CG PRO A 83 2.511 4.768 -9.995 1.00 55.24 C ATOM 1296 CD PRO A 83 3.157 5.384 -8.785 1.00 72.23 C ATOM 0 HA PRO A 83 1.880 2.675 -7.501 1.00 60.52 H new ATOM 0 HB2 PRO A 83 1.593 2.851 -10.259 1.00 41.12 H new ATOM 0 HB3 PRO A 83 0.709 3.928 -9.197 1.00 41.12 H new ATOM 0 HG2 PRO A 83 3.262 4.438 -10.713 1.00 55.24 H new ATOM 0 HG3 PRO A 83 1.876 5.490 -10.508 1.00 55.24 H new ATOM 0 HD2 PRO A 83 4.135 5.803 -9.021 1.00 72.23 H new ATOM 0 HD3 PRO A 83 2.554 6.194 -8.376 1.00 72.23 H new ATOM 1304 N ARG A 84 4.343 2.230 -9.625 1.00 4.33 N ATOM 1305 CA ARG A 84 5.273 1.221 -10.118 1.00 3.53 C ATOM 1306 C ARG A 84 5.867 0.419 -8.964 1.00 5.44 C ATOM 1307 O ARG A 84 6.196 -0.757 -9.117 1.00 11.44 O ATOM 1308 CB ARG A 84 6.393 1.881 -10.925 1.00 24.34 C ATOM 1309 CG ARG A 84 7.280 0.888 -11.659 1.00 52.44 C ATOM 1310 CD ARG A 84 6.533 0.210 -12.797 1.00 52.32 C ATOM 1311 NE ARG A 84 6.915 -1.192 -12.944 1.00 13.30 N ATOM 1312 CZ ARG A 84 8.052 -1.589 -13.504 1.00 53.24 C ATOM 1313 NH1 ARG A 84 8.914 -0.695 -13.968 1.00 51.41 N ATOM 1314 NH2 ARG A 84 8.328 -2.883 -13.602 1.00 4.15 N ATOM 0 H ARG A 84 4.474 3.158 -10.028 1.00 4.33 H new ATOM 0 HA ARG A 84 4.721 0.539 -10.765 1.00 3.53 H new ATOM 0 HB2 ARG A 84 5.953 2.566 -11.649 1.00 24.34 H new ATOM 0 HB3 ARG A 84 7.009 2.479 -10.254 1.00 24.34 H new ATOM 0 HG2 ARG A 84 8.156 1.403 -12.053 1.00 52.44 H new ATOM 0 HG3 ARG A 84 7.641 0.134 -10.959 1.00 52.44 H new ATOM 0 HD2 ARG A 84 5.460 0.276 -12.617 1.00 52.32 H new ATOM 0 HD3 ARG A 84 6.733 0.740 -13.728 1.00 52.32 H new ATOM 0 HE ARG A 84 6.273 -1.905 -12.598 1.00 13.30 H new ATOM 0 HH11 ARG A 84 8.705 0.301 -13.895 1.00 51.41 H new ATOM 0 HH12 ARG A 84 9.786 -1.003 -14.398 1.00 51.41 H new ATOM 0 HH21 ARG A 84 7.667 -3.574 -13.247 1.00 4.15 H new ATOM 0 HH22 ARG A 84 9.201 -3.187 -14.032 1.00 4.15 H new ATOM 1328 N MET A 85 6.003 1.064 -7.810 1.00 13.45 N ATOM 1329 CA MET A 85 6.557 0.411 -6.630 1.00 33.45 C ATOM 1330 C MET A 85 5.459 -0.276 -5.823 1.00 23.30 C ATOM 1331 O MET A 85 5.537 -1.473 -5.542 1.00 10.21 O ATOM 1332 CB MET A 85 7.289 1.428 -5.753 1.00 1.31 C ATOM 1333 CG MET A 85 8.628 1.869 -6.322 1.00 52.02 C ATOM 1334 SD MET A 85 9.889 0.586 -6.203 1.00 43.23 S ATOM 1335 CE MET A 85 10.322 0.697 -4.469 1.00 31.43 C ATOM 0 H MET A 85 5.737 2.038 -7.667 1.00 13.45 H new ATOM 0 HA MET A 85 7.266 -0.346 -6.965 1.00 33.45 H new ATOM 0 HB2 MET A 85 6.654 2.304 -5.619 1.00 1.31 H new ATOM 0 HB3 MET A 85 7.448 0.996 -4.765 1.00 1.31 H new ATOM 0 HG2 MET A 85 8.499 2.151 -7.367 1.00 52.02 H new ATOM 0 HG3 MET A 85 8.969 2.758 -5.792 1.00 52.02 H new ATOM 0 HE1 MET A 85 11.220 0.109 -4.280 1.00 31.43 H new ATOM 0 HE2 MET A 85 10.508 1.738 -4.206 1.00 31.43 H new ATOM 0 HE3 MET A 85 9.502 0.312 -3.864 1.00 31.43 H new ATOM 1345 N THR A 86 4.437 0.488 -5.452 1.00 54.14 N ATOM 1346 CA THR A 86 3.324 -0.047 -4.677 1.00 4.40 C ATOM 1347 C THR A 86 2.637 -1.189 -5.417 1.00 4.14 C ATOM 1348 O THR A 86 2.605 -2.322 -4.936 1.00 10.12 O ATOM 1349 CB THR A 86 2.284 1.044 -4.361 1.00 40.50 C ATOM 1350 OG1 THR A 86 2.936 2.205 -3.833 1.00 40.14 O ATOM 1351 CG2 THR A 86 1.254 0.537 -3.363 1.00 1.41 C ATOM 0 H THR A 86 4.357 1.480 -5.676 1.00 54.14 H new ATOM 0 HA THR A 86 3.741 -0.422 -3.743 1.00 4.40 H new ATOM 0 HB THR A 86 1.772 1.305 -5.287 1.00 40.50 H new ATOM 0 HG1 THR A 86 3.114 2.839 -4.559 1.00 40.14 H new ATOM 0 HG21 THR A 86 0.530 1.325 -3.155 1.00 1.41 H new ATOM 0 HG22 THR A 86 0.739 -0.328 -3.780 1.00 1.41 H new ATOM 0 HG23 THR A 86 1.754 0.251 -2.438 1.00 1.41 H new ATOM 1359 N TYR A 87 2.090 -0.884 -6.588 1.00 20.41 N ATOM 1360 CA TYR A 87 1.402 -1.886 -7.393 1.00 72.14 C ATOM 1361 C TYR A 87 2.270 -3.127 -7.578 1.00 32.24 C ATOM 1362 O TYR A 87 1.761 -4.231 -7.771 1.00 40.10 O ATOM 1363 CB TYR A 87 1.028 -1.305 -8.758 1.00 13.32 C ATOM 1364 CG TYR A 87 1.696 -2.006 -9.919 1.00 2.23 C ATOM 1365 CD1 TYR A 87 1.126 -3.134 -10.495 1.00 65.42 C ATOM 1366 CD2 TYR A 87 2.898 -1.540 -10.438 1.00 73.45 C ATOM 1367 CE1 TYR A 87 1.734 -3.779 -11.556 1.00 11.24 C ATOM 1368 CE2 TYR A 87 3.511 -2.177 -11.500 1.00 24.55 C ATOM 1369 CZ TYR A 87 2.926 -3.296 -12.054 1.00 72.25 C ATOM 1370 OH TYR A 87 3.535 -3.935 -13.111 1.00 12.54 O ATOM 0 H TYR A 87 2.110 0.048 -7.001 1.00 20.41 H new ATOM 0 HA TYR A 87 0.493 -2.176 -6.866 1.00 72.14 H new ATOM 0 HB2 TYR A 87 -0.053 -1.362 -8.884 1.00 13.32 H new ATOM 0 HB3 TYR A 87 1.296 -0.249 -8.780 1.00 13.32 H new ATOM 0 HD1 TYR A 87 0.192 -3.514 -10.108 1.00 65.42 H new ATOM 0 HD2 TYR A 87 3.361 -0.666 -10.004 1.00 73.45 H new ATOM 0 HE1 TYR A 87 1.278 -4.656 -11.992 1.00 11.24 H new ATOM 0 HE2 TYR A 87 4.443 -1.800 -11.894 1.00 24.55 H new ATOM 0 HH TYR A 87 4.425 -4.241 -12.839 1.00 12.54 H new ATOM 1380 N ALA A 88 3.584 -2.937 -7.515 1.00 54.04 N ATOM 1381 CA ALA A 88 4.523 -4.040 -7.672 1.00 45.13 C ATOM 1382 C ALA A 88 4.346 -5.074 -6.566 1.00 3.14 C ATOM 1383 O ALA A 88 4.048 -6.238 -6.833 1.00 24.14 O ATOM 1384 CB ALA A 88 5.953 -3.518 -7.685 1.00 55.35 C ATOM 0 H ALA A 88 4.022 -2.029 -7.356 1.00 54.04 H new ATOM 0 HA ALA A 88 4.316 -4.527 -8.625 1.00 45.13 H new ATOM 0 HB1 ALA A 88 6.644 -4.353 -7.803 1.00 55.35 H new ATOM 0 HB2 ALA A 88 6.079 -2.823 -8.515 1.00 55.35 H new ATOM 0 HB3 ALA A 88 6.161 -3.004 -6.746 1.00 55.35 H new ATOM 1390 N SER A 89 4.532 -4.641 -5.323 1.00 21.34 N ATOM 1391 CA SER A 89 4.397 -5.531 -4.175 1.00 61.23 C ATOM 1392 C SER A 89 2.943 -5.615 -3.721 1.00 1.22 C ATOM 1393 O SER A 89 2.631 -6.257 -2.718 1.00 75.13 O ATOM 1394 CB SER A 89 5.277 -5.047 -3.021 1.00 50.02 C ATOM 1395 OG SER A 89 6.644 -5.327 -3.270 1.00 12.51 O ATOM 0 H SER A 89 4.777 -3.680 -5.085 1.00 21.34 H new ATOM 0 HA SER A 89 4.723 -6.526 -4.478 1.00 61.23 H new ATOM 0 HB2 SER A 89 5.142 -3.974 -2.881 1.00 50.02 H new ATOM 0 HB3 SER A 89 4.966 -5.531 -2.095 1.00 50.02 H new ATOM 0 HG SER A 89 7.186 -5.006 -2.519 1.00 12.51 H new ATOM 1401 N SER A 90 2.058 -4.960 -4.466 1.00 61.51 N ATOM 1402 CA SER A 90 0.637 -4.957 -4.139 1.00 1.32 C ATOM 1403 C SER A 90 -0.143 -5.856 -5.093 1.00 44.25 C ATOM 1404 O SER A 90 -1.214 -6.359 -4.756 1.00 32.23 O ATOM 1405 CB SER A 90 0.083 -3.532 -4.195 1.00 50.20 C ATOM 1406 OG SER A 90 -1.326 -3.526 -4.043 1.00 21.23 O ATOM 0 H SER A 90 2.300 -4.425 -5.300 1.00 61.51 H new ATOM 0 HA SER A 90 0.522 -5.345 -3.127 1.00 1.32 H new ATOM 0 HB2 SER A 90 0.539 -2.930 -3.409 1.00 50.20 H new ATOM 0 HB3 SER A 90 0.351 -3.071 -5.146 1.00 50.20 H new ATOM 0 HG SER A 90 -1.747 -3.309 -4.901 1.00 21.23 H new ATOM 1412 N LYS A 91 0.403 -6.053 -6.289 1.00 23.33 N ATOM 1413 CA LYS A 91 -0.238 -6.892 -7.294 1.00 70.11 C ATOM 1414 C LYS A 91 -0.699 -8.213 -6.687 1.00 21.31 C ATOM 1415 O LYS A 91 -1.711 -8.779 -7.102 1.00 43.40 O ATOM 1416 CB LYS A 91 0.724 -7.160 -8.454 1.00 10.31 C ATOM 1417 CG LYS A 91 1.820 -8.155 -8.117 1.00 64.42 C ATOM 1418 CD LYS A 91 3.058 -7.931 -8.969 1.00 43.03 C ATOM 1419 CE LYS A 91 4.266 -8.660 -8.400 1.00 42.54 C ATOM 1420 NZ LYS A 91 4.595 -9.883 -9.182 1.00 72.54 N ATOM 0 H LYS A 91 1.288 -5.642 -6.585 1.00 23.33 H new ATOM 0 HA LYS A 91 -1.112 -6.361 -7.670 1.00 70.11 H new ATOM 0 HB2 LYS A 91 0.157 -7.532 -9.307 1.00 10.31 H new ATOM 0 HB3 LYS A 91 1.181 -6.219 -8.761 1.00 10.31 H new ATOM 0 HG2 LYS A 91 2.082 -8.066 -7.063 1.00 64.42 H new ATOM 0 HG3 LYS A 91 1.451 -9.169 -8.269 1.00 64.42 H new ATOM 0 HD2 LYS A 91 2.869 -8.276 -9.985 1.00 43.03 H new ATOM 0 HD3 LYS A 91 3.271 -6.864 -9.030 1.00 43.03 H new ATOM 0 HE2 LYS A 91 5.126 -7.990 -8.395 1.00 42.54 H new ATOM 0 HE3 LYS A 91 4.070 -8.934 -7.363 1.00 42.54 H new ATOM 0 HZ1 LYS A 91 5.424 -10.351 -8.762 1.00 72.54 H new ATOM 0 HZ2 LYS A 91 3.784 -10.534 -9.165 1.00 72.54 H new ATOM 0 HZ3 LYS A 91 4.807 -9.620 -10.165 1.00 72.54 H new ATOM 1434 N ASP A 92 0.049 -8.699 -5.702 1.00 35.00 N ATOM 1435 CA ASP A 92 -0.285 -9.953 -5.036 1.00 11.42 C ATOM 1436 C ASP A 92 -1.723 -9.932 -4.527 1.00 11.41 C ATOM 1437 O ASP A 92 -2.554 -10.733 -4.952 1.00 71.33 O ATOM 1438 CB ASP A 92 0.676 -10.209 -3.874 1.00 64.33 C ATOM 1439 CG ASP A 92 1.341 -11.569 -3.963 1.00 0.05 C ATOM 1440 OD1 ASP A 92 1.660 -12.001 -5.090 1.00 1.12 O ATOM 1441 OD2 ASP A 92 1.541 -12.202 -2.904 1.00 44.34 O ATOM 0 H ASP A 92 0.890 -8.244 -5.347 1.00 35.00 H new ATOM 0 HA ASP A 92 -0.188 -10.759 -5.763 1.00 11.42 H new ATOM 0 HB2 ASP A 92 1.442 -9.433 -3.862 1.00 64.33 H new ATOM 0 HB3 ASP A 92 0.132 -10.135 -2.933 1.00 64.33 H new ATOM 1446 N ALA A 93 -2.009 -9.010 -3.613 1.00 44.11 N ATOM 1447 CA ALA A 93 -3.346 -8.884 -3.047 1.00 2.11 C ATOM 1448 C ALA A 93 -4.412 -8.957 -4.135 1.00 3.10 C ATOM 1449 O ALA A 93 -5.289 -9.821 -4.102 1.00 12.20 O ATOM 1450 CB ALA A 93 -3.470 -7.581 -2.270 1.00 63.35 C ATOM 0 H ALA A 93 -1.332 -8.339 -3.249 1.00 44.11 H new ATOM 0 HA ALA A 93 -3.504 -9.718 -2.363 1.00 2.11 H new ATOM 0 HB1 ALA A 93 -4.474 -7.500 -1.853 1.00 63.35 H new ATOM 0 HB2 ALA A 93 -2.739 -7.568 -1.462 1.00 63.35 H new ATOM 0 HB3 ALA A 93 -3.286 -6.740 -2.938 1.00 63.35 H new ATOM 1456 N LEU A 94 -4.331 -8.045 -5.098 1.00 22.32 N ATOM 1457 CA LEU A 94 -5.290 -8.006 -6.197 1.00 4.24 C ATOM 1458 C LEU A 94 -5.349 -9.349 -6.916 1.00 31.50 C ATOM 1459 O LEU A 94 -6.420 -9.940 -7.063 1.00 62.31 O ATOM 1460 CB LEU A 94 -4.916 -6.901 -7.186 1.00 50.31 C ATOM 1461 CG LEU A 94 -4.786 -5.493 -6.603 1.00 21.33 C ATOM 1462 CD1 LEU A 94 -5.666 -5.342 -5.372 1.00 55.01 C ATOM 1463 CD2 LEU A 94 -3.334 -5.189 -6.263 1.00 31.14 C ATOM 0 H LEU A 94 -3.612 -7.323 -5.140 1.00 22.32 H new ATOM 0 HA LEU A 94 -6.275 -7.795 -5.780 1.00 4.24 H new ATOM 0 HB2 LEU A 94 -3.969 -7.167 -7.656 1.00 50.31 H new ATOM 0 HB3 LEU A 94 -5.668 -6.878 -7.975 1.00 50.31 H new ATOM 0 HG LEU A 94 -5.120 -4.777 -7.354 1.00 21.33 H new ATOM 0 HD11 LEU A 94 -5.561 -4.334 -4.971 1.00 55.01 H new ATOM 0 HD12 LEU A 94 -6.707 -5.517 -5.645 1.00 55.01 H new ATOM 0 HD13 LEU A 94 -5.362 -6.067 -4.617 1.00 55.01 H new ATOM 0 HD21 LEU A 94 -3.260 -4.183 -5.849 1.00 31.14 H new ATOM 0 HD22 LEU A 94 -2.973 -5.910 -5.530 1.00 31.14 H new ATOM 0 HD23 LEU A 94 -2.727 -5.255 -7.166 1.00 31.14 H new ATOM 1475 N LEU A 95 -4.192 -9.828 -7.361 1.00 34.24 N ATOM 1476 CA LEU A 95 -4.112 -11.104 -8.063 1.00 23.21 C ATOM 1477 C LEU A 95 -4.747 -12.220 -7.240 1.00 21.15 C ATOM 1478 O LEU A 95 -5.247 -13.203 -7.787 1.00 22.22 O ATOM 1479 CB LEU A 95 -2.653 -11.448 -8.370 1.00 73.51 C ATOM 1480 CG LEU A 95 -2.087 -10.874 -9.669 1.00 74.14 C ATOM 1481 CD1 LEU A 95 -0.597 -11.158 -9.774 1.00 71.10 C ATOM 1482 CD2 LEU A 95 -2.827 -11.444 -10.871 1.00 64.51 C ATOM 0 H LEU A 95 -3.297 -9.352 -7.248 1.00 34.24 H new ATOM 0 HA LEU A 95 -4.662 -11.011 -8.999 1.00 23.21 H new ATOM 0 HB2 LEU A 95 -2.036 -11.098 -7.542 1.00 73.51 H new ATOM 0 HB3 LEU A 95 -2.556 -12.533 -8.403 1.00 73.51 H new ATOM 0 HG LEU A 95 -2.230 -9.793 -9.659 1.00 74.14 H new ATOM 0 HD11 LEU A 95 -0.212 -10.742 -10.705 1.00 71.10 H new ATOM 0 HD12 LEU A 95 -0.079 -10.701 -8.931 1.00 71.10 H new ATOM 0 HD13 LEU A 95 -0.430 -12.235 -9.762 1.00 71.10 H new ATOM 0 HD21 LEU A 95 -2.411 -11.024 -11.787 1.00 64.51 H new ATOM 0 HD22 LEU A 95 -2.716 -12.528 -10.886 1.00 64.51 H new ATOM 0 HD23 LEU A 95 -3.884 -11.188 -10.802 1.00 64.51 H new ATOM 1494 N LYS A 96 -4.726 -12.061 -5.921 1.00 1.54 N ATOM 1495 CA LYS A 96 -5.302 -13.052 -5.020 1.00 54.21 C ATOM 1496 C LYS A 96 -6.807 -12.846 -4.876 1.00 1.02 C ATOM 1497 O LYS A 96 -7.573 -13.808 -4.817 1.00 70.05 O ATOM 1498 CB LYS A 96 -4.632 -12.974 -3.647 1.00 33.25 C ATOM 1499 CG LYS A 96 -3.496 -13.966 -3.467 1.00 44.34 C ATOM 1500 CD LYS A 96 -2.141 -13.298 -3.638 1.00 33.20 C ATOM 1501 CE LYS A 96 -1.912 -12.225 -2.585 1.00 32.13 C ATOM 1502 NZ LYS A 96 -2.143 -12.742 -1.207 1.00 51.32 N ATOM 0 H LYS A 96 -4.316 -11.254 -5.452 1.00 1.54 H new ATOM 0 HA LYS A 96 -5.127 -14.040 -5.447 1.00 54.21 H new ATOM 0 HB2 LYS A 96 -4.249 -11.965 -3.496 1.00 33.25 H new ATOM 0 HB3 LYS A 96 -5.382 -13.149 -2.876 1.00 33.25 H new ATOM 0 HG2 LYS A 96 -3.558 -14.416 -2.476 1.00 44.34 H new ATOM 0 HG3 LYS A 96 -3.599 -14.774 -4.192 1.00 44.34 H new ATOM 0 HD2 LYS A 96 -1.353 -14.048 -3.572 1.00 33.20 H new ATOM 0 HD3 LYS A 96 -2.076 -12.854 -4.631 1.00 33.20 H new ATOM 0 HE2 LYS A 96 -0.892 -11.849 -2.666 1.00 32.13 H new ATOM 0 HE3 LYS A 96 -2.578 -11.383 -2.773 1.00 32.13 H new ATOM 0 HZ1 LYS A 96 -1.755 -12.070 -0.515 1.00 51.32 H new ATOM 0 HZ2 LYS A 96 -3.164 -12.855 -1.045 1.00 51.32 H new ATOM 0 HZ3 LYS A 96 -1.671 -13.662 -1.098 1.00 51.32 H new ATOM 1516 N LYS A 97 -7.224 -11.586 -4.820 1.00 54.21 N ATOM 1517 CA LYS A 97 -8.637 -11.253 -4.686 1.00 15.44 C ATOM 1518 C LYS A 97 -9.418 -11.684 -5.923 1.00 34.43 C ATOM 1519 O LYS A 97 -10.468 -12.321 -5.816 1.00 42.42 O ATOM 1520 CB LYS A 97 -8.809 -9.749 -4.461 1.00 2.45 C ATOM 1521 CG LYS A 97 -8.306 -9.275 -3.108 1.00 2.11 C ATOM 1522 CD LYS A 97 -8.971 -10.030 -1.970 1.00 14.03 C ATOM 1523 CE LYS A 97 -8.027 -11.047 -1.348 1.00 23.10 C ATOM 1524 NZ LYS A 97 -8.515 -11.520 -0.023 1.00 72.42 N ATOM 0 H LYS A 97 -6.603 -10.778 -4.865 1.00 54.21 H new ATOM 0 HA LYS A 97 -9.030 -11.791 -3.824 1.00 15.44 H new ATOM 0 HB2 LYS A 97 -8.279 -9.210 -5.246 1.00 2.45 H new ATOM 0 HB3 LYS A 97 -9.864 -9.494 -4.557 1.00 2.45 H new ATOM 0 HG2 LYS A 97 -7.226 -9.410 -3.053 1.00 2.11 H new ATOM 0 HG3 LYS A 97 -8.500 -8.208 -3.000 1.00 2.11 H new ATOM 0 HD2 LYS A 97 -9.301 -9.324 -1.208 1.00 14.03 H new ATOM 0 HD3 LYS A 97 -9.861 -10.538 -2.340 1.00 14.03 H new ATOM 0 HE2 LYS A 97 -7.917 -11.899 -2.020 1.00 23.10 H new ATOM 0 HE3 LYS A 97 -7.039 -10.602 -1.233 1.00 23.10 H new ATOM 0 HZ1 LYS A 97 -7.743 -12.004 0.479 1.00 72.42 H new ATOM 0 HZ2 LYS A 97 -8.837 -10.706 0.539 1.00 72.42 H new ATOM 0 HZ3 LYS A 97 -9.307 -12.180 -0.160 1.00 72.42 H new ATOM 1538 N LEU A 98 -8.900 -11.336 -7.095 1.00 71.22 N ATOM 1539 CA LEU A 98 -9.548 -11.689 -8.353 1.00 73.35 C ATOM 1540 C LEU A 98 -9.890 -13.175 -8.392 1.00 31.44 C ATOM 1541 O LEU A 98 -9.485 -13.938 -7.514 1.00 71.44 O ATOM 1542 CB LEU A 98 -8.643 -11.332 -9.534 1.00 34.01 C ATOM 1543 CG LEU A 98 -8.068 -9.915 -9.534 1.00 73.20 C ATOM 1544 CD1 LEU A 98 -6.635 -9.921 -10.043 1.00 54.23 C ATOM 1545 CD2 LEU A 98 -8.932 -8.989 -10.377 1.00 54.04 C ATOM 0 H LEU A 98 -8.033 -10.810 -7.201 1.00 71.22 H new ATOM 0 HA LEU A 98 -10.474 -11.120 -8.427 1.00 73.35 H new ATOM 0 HB2 LEU A 98 -7.814 -12.039 -9.557 1.00 34.01 H new ATOM 0 HB3 LEU A 98 -9.208 -11.473 -10.455 1.00 34.01 H new ATOM 0 HG LEU A 98 -8.066 -9.544 -8.509 1.00 73.20 H new ATOM 0 HD11 LEU A 98 -6.242 -8.904 -10.036 1.00 54.23 H new ATOM 0 HD12 LEU A 98 -6.022 -10.551 -9.398 1.00 54.23 H new ATOM 0 HD13 LEU A 98 -6.612 -10.312 -11.060 1.00 54.23 H new ATOM 0 HD21 LEU A 98 -8.508 -7.985 -10.366 1.00 54.04 H new ATOM 0 HD22 LEU A 98 -8.966 -9.357 -11.403 1.00 54.04 H new ATOM 0 HD23 LEU A 98 -9.942 -8.961 -9.968 1.00 54.04 H new ATOM 1557 N ASP A 99 -10.636 -13.579 -9.414 1.00 64.41 N ATOM 1558 CA ASP A 99 -11.029 -14.975 -9.569 1.00 33.11 C ATOM 1559 C ASP A 99 -10.552 -15.529 -10.908 1.00 24.14 C ATOM 1560 O ASP A 99 -11.151 -15.266 -11.949 1.00 62.03 O ATOM 1561 CB ASP A 99 -12.548 -15.114 -9.458 1.00 54.02 C ATOM 1562 CG ASP A 99 -12.963 -16.093 -8.377 1.00 50.14 C ATOM 1563 OD1 ASP A 99 -13.008 -17.308 -8.663 1.00 43.50 O ATOM 1564 OD2 ASP A 99 -13.244 -15.644 -7.246 1.00 62.20 O ATOM 0 H ASP A 99 -10.981 -12.960 -10.148 1.00 64.41 H new ATOM 0 HA ASP A 99 -10.559 -15.550 -8.771 1.00 33.11 H new ATOM 0 HB2 ASP A 99 -12.985 -14.138 -9.247 1.00 54.02 H new ATOM 0 HB3 ASP A 99 -12.951 -15.443 -10.416 1.00 54.02 H new ATOM 1569 N GLY A 100 -9.467 -16.298 -10.871 1.00 50.44 N ATOM 1570 CA GLY A 100 -8.926 -16.876 -12.088 1.00 14.52 C ATOM 1571 C GLY A 100 -8.018 -15.916 -12.831 1.00 72.55 C ATOM 1572 O GLY A 100 -7.651 -16.163 -13.980 1.00 24.44 O ATOM 0 H GLY A 100 -8.954 -16.531 -10.021 1.00 50.44 H new ATOM 0 HA2 GLY A 100 -8.370 -17.780 -11.841 1.00 14.52 H new ATOM 0 HA3 GLY A 100 -9.746 -17.175 -12.741 1.00 14.52 H new ATOM 1576 N ALA A 101 -7.657 -14.818 -12.176 1.00 63.14 N ATOM 1577 CA ALA A 101 -6.786 -13.819 -12.783 1.00 2.22 C ATOM 1578 C ALA A 101 -5.375 -14.364 -12.975 1.00 61.42 C ATOM 1579 O ALA A 101 -4.507 -14.188 -12.119 1.00 51.34 O ATOM 1580 CB ALA A 101 -6.755 -12.559 -11.931 1.00 1.25 C ATOM 0 H ALA A 101 -7.954 -14.598 -11.225 1.00 63.14 H new ATOM 0 HA ALA A 101 -7.188 -13.571 -13.765 1.00 2.22 H new ATOM 0 HB1 ALA A 101 -6.101 -11.821 -12.396 1.00 1.25 H new ATOM 0 HB2 ALA A 101 -7.762 -12.150 -11.849 1.00 1.25 H new ATOM 0 HB3 ALA A 101 -6.380 -12.801 -10.937 1.00 1.25 H new ATOM 1586 N THR A 102 -5.151 -15.029 -14.104 1.00 73.45 N ATOM 1587 CA THR A 102 -3.846 -15.603 -14.408 1.00 52.53 C ATOM 1588 C THR A 102 -2.778 -14.519 -14.501 1.00 21.13 C ATOM 1589 O THR A 102 -3.032 -13.356 -14.191 1.00 0.35 O ATOM 1590 CB THR A 102 -3.874 -16.394 -15.729 1.00 71.15 C ATOM 1591 OG1 THR A 102 -3.858 -15.492 -16.841 1.00 64.04 O ATOM 1592 CG2 THR A 102 -5.110 -17.278 -15.805 1.00 11.40 C ATOM 0 H THR A 102 -5.857 -15.183 -14.824 1.00 73.45 H new ATOM 0 HA THR A 102 -3.601 -16.282 -13.592 1.00 52.53 H new ATOM 0 HB THR A 102 -2.989 -17.030 -15.764 1.00 71.15 H new ATOM 0 HG1 THR A 102 -3.874 -16.003 -17.677 1.00 64.04 H new ATOM 0 HG21 THR A 102 -5.108 -17.827 -16.747 1.00 11.40 H new ATOM 0 HG22 THR A 102 -5.104 -17.983 -14.974 1.00 11.40 H new ATOM 0 HG23 THR A 102 -6.005 -16.658 -15.749 1.00 11.40 H new ATOM 1600 N ALA A 103 -1.582 -14.909 -14.930 1.00 10.11 N ATOM 1601 CA ALA A 103 -0.476 -13.970 -15.066 1.00 3.43 C ATOM 1602 C ALA A 103 -0.443 -13.358 -16.462 1.00 52.11 C ATOM 1603 O ALA A 103 0.561 -12.776 -16.873 1.00 21.22 O ATOM 1604 CB ALA A 103 0.844 -14.661 -14.759 1.00 65.34 C ATOM 0 H ALA A 103 -1.355 -15.869 -15.189 1.00 10.11 H new ATOM 0 HA ALA A 103 -0.627 -13.164 -14.348 1.00 3.43 H new ATOM 0 HB1 ALA A 103 1.661 -13.948 -14.865 1.00 65.34 H new ATOM 0 HB2 ALA A 103 0.826 -15.043 -13.738 1.00 65.34 H new ATOM 0 HB3 ALA A 103 0.992 -15.488 -15.454 1.00 65.34 H new ATOM 1610 N VAL A 104 -1.548 -13.494 -17.189 1.00 11.34 N ATOM 1611 CA VAL A 104 -1.646 -12.954 -18.539 1.00 40.24 C ATOM 1612 C VAL A 104 -1.705 -11.431 -18.520 1.00 14.44 C ATOM 1613 O VAL A 104 -1.686 -10.785 -19.567 1.00 15.21 O ATOM 1614 CB VAL A 104 -2.888 -13.496 -19.272 1.00 11.43 C ATOM 1615 CG1 VAL A 104 -4.161 -12.981 -18.617 1.00 21.55 C ATOM 1616 CG2 VAL A 104 -2.846 -13.116 -20.744 1.00 43.02 C ATOM 0 H VAL A 104 -2.388 -13.974 -16.865 1.00 11.34 H new ATOM 0 HA VAL A 104 -0.750 -13.273 -19.072 1.00 40.24 H new ATOM 0 HB VAL A 104 -2.885 -14.584 -19.201 1.00 11.43 H new ATOM 0 HG11 VAL A 104 -5.028 -13.374 -19.148 1.00 21.55 H new ATOM 0 HG12 VAL A 104 -4.193 -13.308 -17.578 1.00 21.55 H new ATOM 0 HG13 VAL A 104 -4.175 -11.892 -18.656 1.00 21.55 H new ATOM 0 HG21 VAL A 104 -3.731 -13.507 -21.246 1.00 43.02 H new ATOM 0 HG22 VAL A 104 -2.825 -12.030 -20.839 1.00 43.02 H new ATOM 0 HG23 VAL A 104 -1.952 -13.538 -21.203 1.00 43.02 H new ATOM 1626 N ALA A 105 -1.777 -10.862 -17.320 1.00 61.33 N ATOM 1627 CA ALA A 105 -1.836 -9.414 -17.163 1.00 74.44 C ATOM 1628 C ALA A 105 -0.644 -8.740 -17.833 1.00 23.21 C ATOM 1629 O ALA A 105 0.351 -9.392 -18.154 1.00 42.40 O ATOM 1630 CB ALA A 105 -1.894 -9.045 -15.689 1.00 34.35 C ATOM 0 H ALA A 105 -1.796 -11.382 -16.443 1.00 61.33 H new ATOM 0 HA ALA A 105 -2.743 -9.057 -17.651 1.00 74.44 H new ATOM 0 HB1 ALA A 105 -1.938 -7.961 -15.587 1.00 34.35 H new ATOM 0 HB2 ALA A 105 -2.782 -9.488 -15.238 1.00 34.35 H new ATOM 0 HB3 ALA A 105 -1.004 -9.421 -15.184 1.00 34.35 H new ATOM 1636 N LEU A 106 -0.750 -7.433 -18.042 1.00 2.43 N ATOM 1637 CA LEU A 106 0.321 -6.669 -18.674 1.00 74.42 C ATOM 1638 C LEU A 106 0.510 -5.322 -17.984 1.00 62.42 C ATOM 1639 O LEU A 106 -0.452 -4.710 -17.522 1.00 73.54 O ATOM 1640 CB LEU A 106 0.014 -6.457 -20.158 1.00 1.33 C ATOM 1641 CG LEU A 106 1.206 -6.558 -21.111 1.00 13.15 C ATOM 1642 CD1 LEU A 106 2.194 -5.432 -20.851 1.00 0.42 C ATOM 1643 CD2 LEU A 106 1.888 -7.911 -20.970 1.00 35.10 C ATOM 0 H LEU A 106 -1.567 -6.879 -17.783 1.00 2.43 H new ATOM 0 HA LEU A 106 1.246 -7.238 -18.578 1.00 74.42 H new ATOM 0 HB2 LEU A 106 -0.732 -7.191 -20.463 1.00 1.33 H new ATOM 0 HB3 LEU A 106 -0.439 -5.473 -20.278 1.00 1.33 H new ATOM 0 HG LEU A 106 0.839 -6.463 -22.133 1.00 13.15 H new ATOM 0 HD11 LEU A 106 3.035 -5.520 -21.538 1.00 0.42 H new ATOM 0 HD12 LEU A 106 1.700 -4.472 -21.003 1.00 0.42 H new ATOM 0 HD13 LEU A 106 2.556 -5.495 -19.825 1.00 0.42 H new ATOM 0 HD21 LEU A 106 2.734 -7.965 -21.655 1.00 35.10 H new ATOM 0 HD22 LEU A 106 2.242 -8.035 -19.947 1.00 35.10 H new ATOM 0 HD23 LEU A 106 1.178 -8.703 -21.207 1.00 35.10 H new ATOM 1655 N GLU A 107 1.757 -4.866 -17.920 1.00 63.32 N ATOM 1656 CA GLU A 107 2.072 -3.591 -17.288 1.00 11.33 C ATOM 1657 C GLU A 107 3.063 -2.795 -18.132 1.00 2.33 C ATOM 1658 O GLU A 107 4.273 -3.007 -18.052 1.00 52.03 O ATOM 1659 CB GLU A 107 2.645 -3.818 -15.887 1.00 71.12 C ATOM 1660 CG GLU A 107 3.781 -4.827 -15.851 1.00 13.23 C ATOM 1661 CD GLU A 107 5.095 -4.210 -15.411 1.00 75.24 C ATOM 1662 OE1 GLU A 107 5.298 -3.004 -15.666 1.00 32.51 O ATOM 1663 OE2 GLU A 107 5.919 -4.933 -14.814 1.00 1.32 O ATOM 0 H GLU A 107 2.565 -5.361 -18.298 1.00 63.32 H new ATOM 0 HA GLU A 107 1.149 -3.018 -17.206 1.00 11.33 H new ATOM 0 HB2 GLU A 107 3.002 -2.867 -15.491 1.00 71.12 H new ATOM 0 HB3 GLU A 107 1.847 -4.158 -15.228 1.00 71.12 H new ATOM 0 HG2 GLU A 107 3.520 -5.639 -15.172 1.00 13.23 H new ATOM 0 HG3 GLU A 107 3.904 -5.266 -16.841 1.00 13.23 H new ATOM 1670 N ALA A 108 2.541 -1.878 -18.940 1.00 31.11 N ATOM 1671 CA ALA A 108 3.379 -1.049 -19.798 1.00 32.44 C ATOM 1672 C ALA A 108 2.828 0.369 -19.897 1.00 44.35 C ATOM 1673 O ALA A 108 1.614 0.575 -19.924 1.00 25.43 O ATOM 1674 CB ALA A 108 3.495 -1.671 -21.181 1.00 62.05 C ATOM 0 H ALA A 108 1.541 -1.690 -19.018 1.00 31.11 H new ATOM 0 HA ALA A 108 4.372 -0.994 -19.352 1.00 32.44 H new ATOM 0 HB1 ALA A 108 4.123 -1.042 -21.811 1.00 62.05 H new ATOM 0 HB2 ALA A 108 3.941 -2.662 -21.098 1.00 62.05 H new ATOM 0 HB3 ALA A 108 2.504 -1.756 -21.626 1.00 62.05 H new ATOM 1680 N HIS A 109 3.729 1.346 -19.952 1.00 74.12 N ATOM 1681 CA HIS A 109 3.332 2.746 -20.049 1.00 43.31 C ATOM 1682 C HIS A 109 3.542 3.274 -21.465 1.00 70.53 C ATOM 1683 O HIS A 109 4.669 3.553 -21.873 1.00 21.44 O ATOM 1684 CB HIS A 109 4.127 3.593 -19.054 1.00 71.03 C ATOM 1685 CG HIS A 109 5.604 3.351 -19.108 1.00 30.05 C ATOM 1686 ND1 HIS A 109 6.221 2.312 -18.443 1.00 72.12 N ATOM 1687 CD2 HIS A 109 6.588 4.020 -19.753 1.00 20.12 C ATOM 1688 CE1 HIS A 109 7.520 2.353 -18.676 1.00 45.21 C ATOM 1689 NE2 HIS A 109 7.769 3.380 -19.468 1.00 44.25 N ATOM 0 H HIS A 109 4.737 1.194 -19.931 1.00 74.12 H new ATOM 0 HA HIS A 109 2.271 2.815 -19.808 1.00 43.31 H new ATOM 0 HB2 HIS A 109 3.932 4.647 -19.250 1.00 71.03 H new ATOM 0 HB3 HIS A 109 3.770 3.385 -18.045 1.00 71.03 H new ATOM 0 HD2 HIS A 109 6.467 4.894 -20.376 1.00 20.12 H new ATOM 0 HE1 HIS A 109 8.254 1.664 -18.285 1.00 45.21 H new ATOM 0 HE2 HIS A 109 8.689 3.653 -19.812 1.00 44.25 H new ATOM 1697 N GLU A 110 2.449 3.406 -22.210 1.00 51.22 N ATOM 1698 CA GLU A 110 2.515 3.898 -23.581 1.00 53.33 C ATOM 1699 C GLU A 110 1.152 4.408 -24.042 1.00 43.23 C ATOM 1700 O GLU A 110 0.113 3.920 -23.599 1.00 41.33 O ATOM 1701 CB GLU A 110 3.002 2.793 -24.520 1.00 45.25 C ATOM 1702 CG GLU A 110 2.441 1.421 -24.189 1.00 31.11 C ATOM 1703 CD GLU A 110 2.774 0.384 -25.244 1.00 31.21 C ATOM 1704 OE1 GLU A 110 2.096 0.367 -26.293 1.00 23.21 O ATOM 1705 OE2 GLU A 110 3.711 -0.410 -25.021 1.00 22.42 O ATOM 0 H GLU A 110 1.508 3.179 -21.888 1.00 51.22 H new ATOM 0 HA GLU A 110 3.223 4.727 -23.609 1.00 53.33 H new ATOM 0 HB2 GLU A 110 2.728 3.051 -25.543 1.00 45.25 H new ATOM 0 HB3 GLU A 110 4.090 2.750 -24.482 1.00 45.25 H new ATOM 0 HG2 GLU A 110 2.835 1.094 -23.227 1.00 31.11 H new ATOM 0 HG3 GLU A 110 1.358 1.491 -24.083 1.00 31.11 H new ATOM 1712 N MET A 111 1.167 5.393 -24.934 1.00 53.33 N ATOM 1713 CA MET A 111 -0.067 5.969 -25.456 1.00 53.31 C ATOM 1714 C MET A 111 -0.769 4.993 -26.395 1.00 23.43 C ATOM 1715 O MET A 111 -1.986 5.047 -26.566 1.00 63.10 O ATOM 1716 CB MET A 111 0.227 7.279 -26.191 1.00 34.25 C ATOM 1717 CG MET A 111 -0.998 7.895 -26.848 1.00 2.04 C ATOM 1718 SD MET A 111 -0.776 9.644 -27.227 1.00 33.20 S ATOM 1719 CE MET A 111 -1.043 9.642 -28.998 1.00 43.41 C ATOM 0 H MET A 111 2.019 5.809 -25.310 1.00 53.33 H new ATOM 0 HA MET A 111 -0.727 6.173 -24.613 1.00 53.31 H new ATOM 0 HB2 MET A 111 0.650 7.995 -25.486 1.00 34.25 H new ATOM 0 HB3 MET A 111 0.985 7.097 -26.953 1.00 34.25 H new ATOM 0 HG2 MET A 111 -1.224 7.354 -27.767 1.00 2.04 H new ATOM 0 HG3 MET A 111 -1.858 7.776 -26.189 1.00 2.04 H new ATOM 0 HE1 MET A 111 -0.939 10.657 -29.383 1.00 43.41 H new ATOM 0 HE2 MET A 111 -0.307 8.995 -29.476 1.00 43.41 H new ATOM 0 HE3 MET A 111 -2.045 9.273 -29.214 1.00 43.41 H new ATOM 1729 N GLY A 112 0.008 4.100 -27.001 1.00 70.31 N ATOM 1730 CA GLY A 112 -0.557 3.124 -27.915 1.00 40.31 C ATOM 1731 C GLY A 112 -1.389 2.077 -27.203 1.00 33.50 C ATOM 1732 O GLY A 112 -2.146 1.340 -27.836 1.00 32.03 O ATOM 0 H GLY A 112 1.018 4.035 -26.875 1.00 70.31 H new ATOM 0 HA2 GLY A 112 -1.176 3.636 -28.652 1.00 40.31 H new ATOM 0 HA3 GLY A 112 0.249 2.634 -28.461 1.00 40.31 H new ATOM 1736 N ASP A 113 -1.249 2.008 -25.884 1.00 24.12 N ATOM 1737 CA ASP A 113 -1.993 1.042 -25.085 1.00 33.33 C ATOM 1738 C ASP A 113 -3.490 1.330 -25.139 1.00 53.24 C ATOM 1739 O ASP A 113 -4.312 0.413 -25.102 1.00 41.23 O ATOM 1740 CB ASP A 113 -1.509 1.066 -23.634 1.00 52.51 C ATOM 1741 CG ASP A 113 -1.059 -0.298 -23.151 1.00 22.13 C ATOM 1742 OD1 ASP A 113 -1.722 -1.299 -23.495 1.00 53.33 O ATOM 1743 OD2 ASP A 113 -0.042 -0.365 -22.429 1.00 35.54 O ATOM 0 H ASP A 113 -0.627 2.610 -25.345 1.00 24.12 H new ATOM 0 HA ASP A 113 -1.816 0.051 -25.502 1.00 33.33 H new ATOM 0 HB2 ASP A 113 -0.683 1.772 -23.541 1.00 52.51 H new ATOM 0 HB3 ASP A 113 -2.312 1.429 -22.992 1.00 52.51 H new ATOM 1748 N LEU A 114 -3.838 2.609 -25.227 1.00 12.34 N ATOM 1749 CA LEU A 114 -5.237 3.019 -25.285 1.00 41.53 C ATOM 1750 C LEU A 114 -5.599 3.521 -26.679 1.00 52.24 C ATOM 1751 O LEU A 114 -6.704 4.015 -26.904 1.00 43.05 O ATOM 1752 CB LEU A 114 -5.512 4.112 -24.250 1.00 75.52 C ATOM 1753 CG LEU A 114 -5.134 5.535 -24.660 1.00 4.35 C ATOM 1754 CD1 LEU A 114 -6.378 6.348 -24.980 1.00 75.32 C ATOM 1755 CD2 LEU A 114 -4.324 6.208 -23.561 1.00 45.31 C ATOM 0 H LEU A 114 -3.171 3.380 -25.260 1.00 12.34 H new ATOM 0 HA LEU A 114 -5.855 2.150 -25.059 1.00 41.53 H new ATOM 0 HB2 LEU A 114 -6.574 4.095 -24.007 1.00 75.52 H new ATOM 0 HB3 LEU A 114 -4.972 3.863 -23.336 1.00 75.52 H new ATOM 0 HG LEU A 114 -4.519 5.482 -25.559 1.00 4.35 H new ATOM 0 HD11 LEU A 114 -6.088 7.358 -25.270 1.00 75.32 H new ATOM 0 HD12 LEU A 114 -6.920 5.877 -25.800 1.00 75.32 H new ATOM 0 HD13 LEU A 114 -7.020 6.393 -24.100 1.00 75.32 H new ATOM 0 HD21 LEU A 114 -4.063 7.220 -23.869 1.00 45.31 H new ATOM 0 HD22 LEU A 114 -4.915 6.248 -22.646 1.00 45.31 H new ATOM 0 HD23 LEU A 114 -3.413 5.638 -23.380 1.00 45.31 H new