USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 578 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 46 ASN : amide:sc= -0.526 K(o=-0.53,f=-7.5!) USER MOD Set 1.2: A 47 SER OG : rot -54:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 150:sc= -1.53 USER MOD Single : A 19 GLN : amide:sc= -0.0177 X(o=-0.018,f=-0.013) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 150:sc= -0.304 (180deg=-1.52!) USER MOD Single : A 49 ASN : amide:sc= -2.48! C(o=-2.5!,f=-2.2!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.014 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.186 K(o=-0.19,f=-2!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0.0357 X(o=0.036,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.290 -12.955 5.444 1.00 55.44 N ATOM 2 CA GLY A 1 18.154 -13.746 5.876 1.00 64.43 C ATOM 3 C GLY A 1 17.165 -12.943 6.697 1.00 40.32 C ATOM 4 O GLY A 1 16.039 -12.703 6.265 1.00 75.44 O ATOM 0 H1 GLY A 1 19.936 -13.550 4.887 1.00 55.44 H new ATOM 0 H2 GLY A 1 18.958 -12.162 4.859 1.00 55.44 H new ATOM 0 H3 GLY A 1 19.792 -12.585 6.276 1.00 55.44 H new ATOM 0 HA2 GLY A 1 17.647 -14.156 5.002 1.00 64.43 H new ATOM 0 HA3 GLY A 1 18.508 -14.592 6.465 1.00 64.43 H new ATOM 8 N SER A 2 17.588 -12.528 7.887 1.00 74.23 N ATOM 9 CA SER A 2 16.730 -11.751 8.775 1.00 2.31 C ATOM 10 C SER A 2 15.297 -12.273 8.738 1.00 70.41 C ATOM 11 O SER A 2 14.350 -11.509 8.546 1.00 74.33 O ATOM 12 CB SER A 2 16.758 -10.273 8.381 1.00 64.20 C ATOM 13 OG SER A 2 17.776 -9.578 9.079 1.00 32.43 O ATOM 0 H SER A 2 18.519 -12.717 8.259 1.00 74.23 H new ATOM 0 HA SER A 2 17.110 -11.855 9.791 1.00 2.31 H new ATOM 0 HB2 SER A 2 16.922 -10.183 7.307 1.00 64.20 H new ATOM 0 HB3 SER A 2 15.791 -9.818 8.595 1.00 64.20 H new ATOM 0 HG SER A 2 17.774 -8.636 8.808 1.00 32.43 H new ATOM 19 N THR A 3 15.144 -13.580 8.923 1.00 4.34 N ATOM 20 CA THR A 3 13.827 -14.205 8.909 1.00 13.42 C ATOM 21 C THR A 3 12.883 -13.518 9.888 1.00 61.41 C ATOM 22 O THR A 3 13.094 -13.555 11.100 1.00 51.01 O ATOM 23 CB THR A 3 13.913 -15.702 9.262 1.00 44.41 C ATOM 24 OG1 THR A 3 14.795 -16.371 8.353 1.00 70.02 O ATOM 25 CG2 THR A 3 12.538 -16.350 9.211 1.00 25.30 C ATOM 0 H THR A 3 15.916 -14.227 9.084 1.00 4.34 H new ATOM 0 HA THR A 3 13.437 -14.099 7.897 1.00 13.42 H new ATOM 0 HB THR A 3 14.302 -15.791 10.276 1.00 44.41 H new ATOM 0 HG1 THR A 3 14.845 -17.322 8.586 1.00 70.02 H new ATOM 0 HG21 THR A 3 12.624 -17.407 9.464 1.00 25.30 H new ATOM 0 HG22 THR A 3 11.877 -15.859 9.925 1.00 25.30 H new ATOM 0 HG23 THR A 3 12.125 -16.250 8.207 1.00 25.30 H new ATOM 33 N MET A 4 11.839 -12.891 9.354 1.00 3.21 N ATOM 34 CA MET A 4 10.860 -12.196 10.182 1.00 14.03 C ATOM 35 C MET A 4 9.450 -12.702 9.897 1.00 25.54 C ATOM 36 O MET A 4 9.249 -13.554 9.032 1.00 44.04 O ATOM 37 CB MET A 4 10.932 -10.688 9.938 1.00 71.14 C ATOM 38 CG MET A 4 11.002 -9.867 11.215 1.00 4.33 C ATOM 39 SD MET A 4 10.955 -8.092 10.904 1.00 12.10 S ATOM 40 CE MET A 4 12.406 -7.552 11.805 1.00 31.33 C ATOM 0 H MET A 4 11.650 -12.850 8.353 1.00 3.21 H new ATOM 0 HA MET A 4 11.096 -12.399 11.227 1.00 14.03 H new ATOM 0 HB2 MET A 4 11.807 -10.469 9.327 1.00 71.14 H new ATOM 0 HB3 MET A 4 10.058 -10.379 9.365 1.00 71.14 H new ATOM 0 HG2 MET A 4 10.170 -10.140 11.864 1.00 4.33 H new ATOM 0 HG3 MET A 4 11.918 -10.114 11.751 1.00 4.33 H new ATOM 0 HE1 MET A 4 12.513 -6.472 11.708 1.00 31.33 H new ATOM 0 HE2 MET A 4 12.299 -7.813 12.858 1.00 31.33 H new ATOM 0 HE3 MET A 4 13.290 -8.042 11.398 1.00 31.33 H new ATOM 50 N ALA A 5 8.476 -12.174 10.631 1.00 12.02 N ATOM 51 CA ALA A 5 7.085 -12.571 10.455 1.00 11.23 C ATOM 52 C ALA A 5 6.628 -12.351 9.017 1.00 52.25 C ATOM 53 O ALA A 5 7.385 -11.848 8.187 1.00 51.23 O ATOM 54 CB ALA A 5 6.191 -11.805 11.418 1.00 61.25 C ATOM 0 H ALA A 5 8.625 -11.470 11.354 1.00 12.02 H new ATOM 0 HA ALA A 5 7.007 -13.636 10.674 1.00 11.23 H new ATOM 0 HB1 ALA A 5 5.155 -12.112 11.275 1.00 61.25 H new ATOM 0 HB2 ALA A 5 6.494 -12.017 12.443 1.00 61.25 H new ATOM 0 HB3 ALA A 5 6.282 -10.736 11.227 1.00 61.25 H new ATOM 60 N GLU A 6 5.387 -12.731 8.729 1.00 14.30 N ATOM 61 CA GLU A 6 4.832 -12.576 7.391 1.00 45.53 C ATOM 62 C GLU A 6 3.913 -11.359 7.321 1.00 4.43 C ATOM 63 O GLU A 6 2.842 -11.343 7.927 1.00 51.23 O ATOM 64 CB GLU A 6 4.063 -13.834 6.984 1.00 25.22 C ATOM 65 CG GLU A 6 4.958 -15.024 6.681 1.00 40.41 C ATOM 66 CD GLU A 6 4.184 -16.219 6.159 1.00 41.22 C ATOM 67 OE1 GLU A 6 3.147 -16.563 6.762 1.00 34.20 O ATOM 68 OE2 GLU A 6 4.615 -16.810 5.147 1.00 43.44 O ATOM 0 H GLU A 6 4.747 -13.148 9.405 1.00 14.30 H new ATOM 0 HA GLU A 6 5.659 -12.425 6.698 1.00 45.53 H new ATOM 0 HB2 GLU A 6 3.374 -14.103 7.784 1.00 25.22 H new ATOM 0 HB3 GLU A 6 3.459 -13.611 6.105 1.00 25.22 H new ATOM 0 HG2 GLU A 6 5.708 -14.732 5.945 1.00 40.41 H new ATOM 0 HG3 GLU A 6 5.494 -15.310 7.586 1.00 40.41 H new ATOM 76 N GLU A 7 4.341 -10.344 6.577 1.00 74.52 N ATOM 77 CA GLU A 7 3.557 -9.123 6.429 1.00 4.43 C ATOM 78 C GLU A 7 2.888 -9.069 5.058 1.00 11.24 C ATOM 79 O GLU A 7 2.980 -10.013 4.272 1.00 51.25 O ATOM 80 CB GLU A 7 4.445 -7.893 6.624 1.00 45.43 C ATOM 81 CG GLU A 7 4.172 -7.144 7.917 1.00 62.03 C ATOM 82 CD GLU A 7 5.144 -6.001 8.146 1.00 20.35 C ATOM 83 OE1 GLU A 7 4.686 -4.844 8.235 1.00 54.14 O ATOM 84 OE2 GLU A 7 6.361 -6.266 8.235 1.00 31.41 O ATOM 0 H GLU A 7 5.225 -10.343 6.068 1.00 74.52 H new ATOM 0 HA GLU A 7 2.780 -9.126 7.194 1.00 4.43 H new ATOM 0 HB2 GLU A 7 5.490 -8.203 6.607 1.00 45.43 H new ATOM 0 HB3 GLU A 7 4.301 -7.214 5.783 1.00 45.43 H new ATOM 0 HG2 GLU A 7 3.155 -6.753 7.898 1.00 62.03 H new ATOM 0 HG3 GLU A 7 4.231 -7.839 8.755 1.00 62.03 H new ATOM 92 N VAL A 8 2.215 -7.958 4.779 1.00 30.40 N ATOM 93 CA VAL A 8 1.531 -7.779 3.503 1.00 33.21 C ATOM 94 C VAL A 8 2.132 -6.621 2.715 1.00 62.31 C ATOM 95 O VAL A 8 2.520 -5.601 3.286 1.00 21.33 O ATOM 96 CB VAL A 8 0.026 -7.520 3.706 1.00 21.23 C ATOM 97 CG1 VAL A 8 -0.634 -7.145 2.387 1.00 3.14 C ATOM 98 CG2 VAL A 8 -0.647 -8.740 4.319 1.00 54.41 C ATOM 0 H VAL A 8 2.128 -7.168 5.419 1.00 30.40 H new ATOM 0 HA VAL A 8 1.662 -8.704 2.941 1.00 33.21 H new ATOM 0 HB VAL A 8 -0.091 -6.684 4.395 1.00 21.23 H new ATOM 0 HG11 VAL A 8 -1.697 -6.966 2.550 1.00 3.14 H new ATOM 0 HG12 VAL A 8 -0.170 -6.241 1.992 1.00 3.14 H new ATOM 0 HG13 VAL A 8 -0.509 -7.959 1.673 1.00 3.14 H new ATOM 0 HG21 VAL A 8 -1.710 -8.539 4.455 1.00 54.41 H new ATOM 0 HG22 VAL A 8 -0.522 -9.596 3.656 1.00 54.41 H new ATOM 0 HG23 VAL A 8 -0.192 -8.959 5.285 1.00 54.41 H new ATOM 108 N VAL A 9 2.208 -6.786 1.398 1.00 12.00 N ATOM 109 CA VAL A 9 2.761 -5.754 0.529 1.00 62.25 C ATOM 110 C VAL A 9 1.810 -5.435 -0.620 1.00 73.11 C ATOM 111 O VAL A 9 1.177 -6.327 -1.181 1.00 24.24 O ATOM 112 CB VAL A 9 4.124 -6.179 -0.051 1.00 33.34 C ATOM 113 CG1 VAL A 9 5.257 -5.472 0.678 1.00 10.32 C ATOM 114 CG2 VAL A 9 4.287 -7.689 0.029 1.00 5.35 C ATOM 0 H VAL A 9 1.894 -7.625 0.910 1.00 12.00 H new ATOM 0 HA VAL A 9 2.897 -4.864 1.143 1.00 62.25 H new ATOM 0 HB VAL A 9 4.162 -5.887 -1.101 1.00 33.34 H new ATOM 0 HG11 VAL A 9 6.212 -5.784 0.255 1.00 10.32 H new ATOM 0 HG12 VAL A 9 5.145 -4.394 0.565 1.00 10.32 H new ATOM 0 HG13 VAL A 9 5.226 -5.731 1.736 1.00 10.32 H new ATOM 0 HG21 VAL A 9 5.255 -7.973 -0.385 1.00 5.35 H new ATOM 0 HG22 VAL A 9 4.230 -8.006 1.070 1.00 5.35 H new ATOM 0 HG23 VAL A 9 3.493 -8.171 -0.541 1.00 5.35 H new ATOM 124 N VAL A 10 1.716 -4.154 -0.963 1.00 63.42 N ATOM 125 CA VAL A 10 0.844 -3.716 -2.047 1.00 72.33 C ATOM 126 C VAL A 10 1.609 -2.878 -3.065 1.00 12.13 C ATOM 127 O VAL A 10 2.503 -2.110 -2.706 1.00 51.12 O ATOM 128 CB VAL A 10 -0.345 -2.895 -1.513 1.00 33.22 C ATOM 129 CG1 VAL A 10 -0.873 -3.498 -0.220 1.00 1.22 C ATOM 130 CG2 VAL A 10 0.059 -1.443 -1.308 1.00 43.21 C ATOM 0 H VAL A 10 2.232 -3.402 -0.506 1.00 63.42 H new ATOM 0 HA VAL A 10 0.467 -4.616 -2.533 1.00 72.33 H new ATOM 0 HB VAL A 10 -1.145 -2.924 -2.253 1.00 33.22 H new ATOM 0 HG11 VAL A 10 -1.713 -2.905 0.142 1.00 1.22 H new ATOM 0 HG12 VAL A 10 -1.204 -4.520 -0.404 1.00 1.22 H new ATOM 0 HG13 VAL A 10 -0.082 -3.502 0.529 1.00 1.22 H new ATOM 0 HG21 VAL A 10 -0.793 -0.878 -0.931 1.00 43.21 H new ATOM 0 HG22 VAL A 10 0.876 -1.391 -0.589 1.00 43.21 H new ATOM 0 HG23 VAL A 10 0.384 -1.018 -2.258 1.00 43.21 H new ATOM 140 N VAL A 11 1.253 -3.030 -4.336 1.00 44.30 N ATOM 141 CA VAL A 11 1.906 -2.286 -5.407 1.00 61.40 C ATOM 142 C VAL A 11 0.936 -1.317 -6.072 1.00 71.54 C ATOM 143 O VAL A 11 -0.083 -1.725 -6.628 1.00 30.01 O ATOM 144 CB VAL A 11 2.484 -3.231 -6.476 1.00 1.41 C ATOM 145 CG1 VAL A 11 1.385 -4.094 -7.078 1.00 33.20 C ATOM 146 CG2 VAL A 11 3.201 -2.438 -7.557 1.00 43.12 C ATOM 0 H VAL A 11 0.516 -3.662 -4.650 1.00 44.30 H new ATOM 0 HA VAL A 11 2.721 -1.725 -4.951 1.00 61.40 H new ATOM 0 HB VAL A 11 3.210 -3.889 -5.998 1.00 1.41 H new ATOM 0 HG11 VAL A 11 1.813 -4.755 -7.831 1.00 33.20 H new ATOM 0 HG12 VAL A 11 0.920 -4.691 -6.293 1.00 33.20 H new ATOM 0 HG13 VAL A 11 0.633 -3.455 -7.541 1.00 33.20 H new ATOM 0 HG21 VAL A 11 3.603 -3.122 -8.304 1.00 43.12 H new ATOM 0 HG22 VAL A 11 2.499 -1.754 -8.033 1.00 43.12 H new ATOM 0 HG23 VAL A 11 4.016 -1.869 -7.110 1.00 43.12 H new ATOM 156 N ALA A 12 1.260 -0.029 -6.013 1.00 31.23 N ATOM 157 CA ALA A 12 0.419 0.999 -6.613 1.00 74.14 C ATOM 158 C ALA A 12 0.305 0.805 -8.120 1.00 24.02 C ATOM 159 O ALA A 12 1.267 0.414 -8.782 1.00 33.33 O ATOM 160 CB ALA A 12 0.969 2.382 -6.296 1.00 42.14 C ATOM 0 H ALA A 12 2.099 0.327 -5.555 1.00 31.23 H new ATOM 0 HA ALA A 12 -0.580 0.911 -6.186 1.00 74.14 H new ATOM 0 HB1 ALA A 12 0.331 3.140 -6.750 1.00 42.14 H new ATOM 0 HB2 ALA A 12 0.991 2.526 -5.216 1.00 42.14 H new ATOM 0 HB3 ALA A 12 1.980 2.472 -6.695 1.00 42.14 H new ATOM 166 N LYS A 13 -0.878 1.080 -8.660 1.00 50.24 N ATOM 167 CA LYS A 13 -1.119 0.936 -10.091 1.00 71.32 C ATOM 168 C LYS A 13 -0.943 2.270 -10.809 1.00 60.13 C ATOM 169 O LYS A 13 -0.426 2.323 -11.925 1.00 0.02 O ATOM 170 CB LYS A 13 -2.528 0.392 -10.340 1.00 51.31 C ATOM 171 CG LYS A 13 -3.092 -0.393 -9.169 1.00 71.44 C ATOM 172 CD LYS A 13 -4.504 -0.877 -9.451 1.00 24.24 C ATOM 173 CE LYS A 13 -4.566 -1.696 -10.731 1.00 23.23 C ATOM 174 NZ LYS A 13 -5.927 -2.254 -10.968 1.00 72.43 N ATOM 0 H LYS A 13 -1.685 1.404 -8.127 1.00 50.24 H new ATOM 0 HA LYS A 13 -0.389 0.231 -10.488 1.00 71.32 H new ATOM 0 HB2 LYS A 13 -3.195 1.224 -10.564 1.00 51.31 H new ATOM 0 HB3 LYS A 13 -2.511 -0.249 -11.222 1.00 51.31 H new ATOM 0 HG2 LYS A 13 -2.449 -1.247 -8.959 1.00 71.44 H new ATOM 0 HG3 LYS A 13 -3.092 0.233 -8.277 1.00 71.44 H new ATOM 0 HD2 LYS A 13 -4.857 -1.480 -8.614 1.00 24.24 H new ATOM 0 HD3 LYS A 13 -5.174 -0.021 -9.532 1.00 24.24 H new ATOM 0 HE2 LYS A 13 -4.278 -1.071 -11.576 1.00 23.23 H new ATOM 0 HE3 LYS A 13 -3.844 -2.511 -10.676 1.00 23.23 H new ATOM 0 HZ1 LYS A 13 -5.927 -2.805 -11.850 1.00 72.43 H new ATOM 0 HZ2 LYS A 13 -6.192 -2.871 -10.174 1.00 72.43 H new ATOM 0 HZ3 LYS A 13 -6.612 -1.476 -11.046 1.00 72.43 H new ATOM 188 N PHE A 14 -1.375 3.347 -10.161 1.00 63.32 N ATOM 189 CA PHE A 14 -1.266 4.682 -10.738 1.00 14.23 C ATOM 190 C PHE A 14 -0.497 5.615 -9.807 1.00 42.21 C ATOM 191 O PHE A 14 -0.010 5.198 -8.756 1.00 3.41 O ATOM 192 CB PHE A 14 -2.656 5.256 -11.019 1.00 15.13 C ATOM 193 CG PHE A 14 -3.555 4.311 -11.763 1.00 44.20 C ATOM 194 CD1 PHE A 14 -4.300 3.361 -11.083 1.00 62.34 C ATOM 195 CD2 PHE A 14 -3.656 4.373 -13.144 1.00 25.13 C ATOM 196 CE1 PHE A 14 -5.127 2.490 -11.767 1.00 32.23 C ATOM 197 CE2 PHE A 14 -4.482 3.505 -13.833 1.00 0.21 C ATOM 198 CZ PHE A 14 -5.219 2.563 -13.143 1.00 34.33 C ATOM 0 H PHE A 14 -1.804 3.321 -9.236 1.00 63.32 H new ATOM 0 HA PHE A 14 -0.718 4.601 -11.677 1.00 14.23 H new ATOM 0 HB2 PHE A 14 -3.127 5.525 -10.074 1.00 15.13 H new ATOM 0 HB3 PHE A 14 -2.551 6.175 -11.596 1.00 15.13 H new ATOM 0 HD1 PHE A 14 -4.234 3.300 -10.007 1.00 62.34 H new ATOM 0 HD2 PHE A 14 -3.082 5.109 -13.688 1.00 25.13 H new ATOM 0 HE1 PHE A 14 -5.701 1.753 -11.226 1.00 32.23 H new ATOM 0 HE2 PHE A 14 -4.551 3.563 -14.909 1.00 0.21 H new ATOM 0 HZ PHE A 14 -5.866 1.884 -13.679 1.00 34.33 H new ATOM 208 N ASP A 15 -0.393 6.879 -10.201 1.00 41.43 N ATOM 209 CA ASP A 15 0.317 7.873 -9.403 1.00 43.02 C ATOM 210 C ASP A 15 -0.659 8.689 -8.560 1.00 41.41 C ATOM 211 O ASP A 15 -1.720 9.093 -9.036 1.00 12.03 O ATOM 212 CB ASP A 15 1.128 8.801 -10.308 1.00 41.30 C ATOM 213 CG ASP A 15 0.512 8.950 -11.686 1.00 14.11 C ATOM 214 OD1 ASP A 15 -0.392 9.798 -11.843 1.00 51.11 O ATOM 215 OD2 ASP A 15 0.935 8.219 -12.606 1.00 61.53 O ATOM 0 H ASP A 15 -0.791 7.240 -11.068 1.00 41.43 H new ATOM 0 HA ASP A 15 0.997 7.347 -8.733 1.00 43.02 H new ATOM 0 HB2 ASP A 15 1.206 9.782 -9.840 1.00 41.30 H new ATOM 0 HB3 ASP A 15 2.142 8.413 -10.406 1.00 41.30 H new ATOM 221 N TYR A 16 -0.292 8.927 -7.305 1.00 45.54 N ATOM 222 CA TYR A 16 -1.136 9.692 -6.395 1.00 51.41 C ATOM 223 C TYR A 16 -0.298 10.649 -5.552 1.00 34.43 C ATOM 224 O TYR A 16 0.858 10.369 -5.237 1.00 2.42 O ATOM 225 CB TYR A 16 -1.926 8.749 -5.485 1.00 52.55 C ATOM 226 CG TYR A 16 -2.358 9.385 -4.184 1.00 74.01 C ATOM 227 CD1 TYR A 16 -3.535 10.120 -4.104 1.00 12.51 C ATOM 228 CD2 TYR A 16 -1.590 9.251 -3.033 1.00 71.42 C ATOM 229 CE1 TYR A 16 -3.933 10.704 -2.916 1.00 45.01 C ATOM 230 CE2 TYR A 16 -1.982 9.830 -1.842 1.00 52.22 C ATOM 231 CZ TYR A 16 -3.154 10.556 -1.788 1.00 45.30 C ATOM 232 OH TYR A 16 -3.549 11.134 -0.604 1.00 54.21 O ATOM 0 H TYR A 16 0.584 8.601 -6.895 1.00 45.54 H new ATOM 0 HA TYR A 16 -1.834 10.279 -6.992 1.00 51.41 H new ATOM 0 HB2 TYR A 16 -2.809 8.398 -6.019 1.00 52.55 H new ATOM 0 HB3 TYR A 16 -1.316 7.873 -5.266 1.00 52.55 H new ATOM 0 HD1 TYR A 16 -4.149 10.237 -4.985 1.00 12.51 H new ATOM 0 HD2 TYR A 16 -0.671 8.685 -3.071 1.00 71.42 H new ATOM 0 HE1 TYR A 16 -4.850 11.273 -2.872 1.00 45.01 H new ATOM 0 HE2 TYR A 16 -1.374 9.715 -0.957 1.00 52.22 H new ATOM 0 HH TYR A 16 -3.223 10.596 0.147 1.00 54.21 H new ATOM 242 N VAL A 17 -0.894 11.781 -5.187 1.00 43.41 N ATOM 243 CA VAL A 17 -0.206 12.779 -4.378 1.00 55.43 C ATOM 244 C VAL A 17 -0.846 12.908 -3.000 1.00 21.50 C ATOM 245 O VAL A 17 -1.955 13.425 -2.866 1.00 12.11 O ATOM 246 CB VAL A 17 -0.211 14.159 -5.065 1.00 20.43 C ATOM 247 CG1 VAL A 17 0.502 15.188 -4.202 1.00 13.33 C ATOM 248 CG2 VAL A 17 0.430 14.070 -6.442 1.00 20.13 C ATOM 0 H VAL A 17 -1.851 12.029 -5.439 1.00 43.41 H new ATOM 0 HA VAL A 17 0.824 12.440 -4.266 1.00 55.43 H new ATOM 0 HB VAL A 17 -1.245 14.480 -5.190 1.00 20.43 H new ATOM 0 HG11 VAL A 17 0.488 16.156 -4.703 1.00 13.33 H new ATOM 0 HG12 VAL A 17 -0.005 15.270 -3.240 1.00 13.33 H new ATOM 0 HG13 VAL A 17 1.534 14.877 -4.043 1.00 13.33 H new ATOM 0 HG21 VAL A 17 0.418 15.053 -6.913 1.00 20.13 H new ATOM 0 HG22 VAL A 17 1.460 13.728 -6.342 1.00 20.13 H new ATOM 0 HG23 VAL A 17 -0.128 13.366 -7.058 1.00 20.13 H new ATOM 258 N ALA A 18 -0.140 12.433 -1.979 1.00 73.04 N ATOM 259 CA ALA A 18 -0.638 12.497 -0.611 1.00 22.34 C ATOM 260 C ALA A 18 -1.287 13.847 -0.325 1.00 53.23 C ATOM 261 O ALA A 18 -0.617 14.790 0.096 1.00 15.22 O ATOM 262 CB ALA A 18 0.490 12.232 0.374 1.00 54.12 C ATOM 0 H ALA A 18 0.779 12.000 -2.074 1.00 73.04 H new ATOM 0 HA ALA A 18 -1.399 11.726 -0.491 1.00 22.34 H new ATOM 0 HB1 ALA A 18 0.104 12.283 1.392 1.00 54.12 H new ATOM 0 HB2 ALA A 18 0.906 11.241 0.193 1.00 54.12 H new ATOM 0 HB3 ALA A 18 1.270 12.982 0.244 1.00 54.12 H new ATOM 268 N GLN A 19 -2.593 13.933 -0.558 1.00 2.24 N ATOM 269 CA GLN A 19 -3.330 15.169 -0.326 1.00 53.34 C ATOM 270 C GLN A 19 -2.909 15.816 0.990 1.00 64.12 C ATOM 271 O GLN A 19 -2.317 16.895 0.999 1.00 1.23 O ATOM 272 CB GLN A 19 -4.835 14.896 -0.315 1.00 33.04 C ATOM 273 CG GLN A 19 -5.570 15.486 -1.507 1.00 61.23 C ATOM 274 CD GLN A 19 -5.115 14.892 -2.826 1.00 33.01 C ATOM 275 OE1 GLN A 19 -5.502 13.781 -3.186 1.00 21.11 O ATOM 276 NE2 GLN A 19 -4.288 15.633 -3.555 1.00 73.11 N ATOM 0 H GLN A 19 -3.162 13.162 -0.907 1.00 2.24 H new ATOM 0 HA GLN A 19 -3.099 15.858 -1.139 1.00 53.34 H new ATOM 0 HB2 GLN A 19 -5.000 13.819 -0.294 1.00 33.04 H new ATOM 0 HB3 GLN A 19 -5.263 15.302 0.602 1.00 33.04 H new ATOM 0 HG2 GLN A 19 -6.641 15.319 -1.388 1.00 61.23 H new ATOM 0 HG3 GLN A 19 -5.416 16.565 -1.526 1.00 61.23 H new ATOM 0 HE21 GLN A 19 -3.993 16.549 -3.218 1.00 73.11 H new ATOM 0 HE22 GLN A 19 -3.948 15.286 -4.452 1.00 73.11 H new ATOM 285 N GLN A 20 -3.219 15.150 2.097 1.00 24.45 N ATOM 286 CA GLN A 20 -2.873 15.661 3.417 1.00 34.33 C ATOM 287 C GLN A 20 -1.430 15.317 3.774 1.00 60.22 C ATOM 288 O GLN A 20 -0.879 14.333 3.284 1.00 1.40 O ATOM 289 CB GLN A 20 -3.821 15.089 4.473 1.00 71.41 C ATOM 290 CG GLN A 20 -4.331 16.128 5.459 1.00 32.13 C ATOM 291 CD GLN A 20 -5.049 15.507 6.641 1.00 35.34 C ATOM 292 OE1 GLN A 20 -4.544 15.517 7.764 1.00 33.24 O ATOM 293 NE2 GLN A 20 -6.235 14.962 6.395 1.00 61.55 N ATOM 0 H GLN A 20 -3.709 14.255 2.106 1.00 24.45 H new ATOM 0 HA GLN A 20 -2.974 16.746 3.396 1.00 34.33 H new ATOM 0 HB2 GLN A 20 -4.672 14.626 3.973 1.00 71.41 H new ATOM 0 HB3 GLN A 20 -3.307 14.301 5.022 1.00 71.41 H new ATOM 0 HG2 GLN A 20 -3.492 16.723 5.820 1.00 32.13 H new ATOM 0 HG3 GLN A 20 -5.008 16.810 4.945 1.00 32.13 H new ATOM 0 HE21 GLN A 20 -6.616 14.976 5.449 1.00 61.55 H new ATOM 0 HE22 GLN A 20 -6.764 14.530 7.152 1.00 61.55 H new ATOM 302 N GLU A 21 -0.826 16.137 4.629 1.00 20.23 N ATOM 303 CA GLU A 21 0.553 15.919 5.049 1.00 44.51 C ATOM 304 C GLU A 21 0.700 14.577 5.759 1.00 11.22 C ATOM 305 O GLU A 21 1.800 14.032 5.857 1.00 51.03 O ATOM 306 CB GLU A 21 1.013 17.050 5.971 1.00 5.25 C ATOM 307 CG GLU A 21 0.227 17.135 7.269 1.00 45.43 C ATOM 308 CD GLU A 21 0.605 18.344 8.102 1.00 3.04 C ATOM 309 OE1 GLU A 21 1.279 18.162 9.138 1.00 41.15 O ATOM 310 OE2 GLU A 21 0.227 19.471 7.719 1.00 43.52 O ATOM 0 H GLU A 21 -1.269 16.957 5.043 1.00 20.23 H new ATOM 0 HA GLU A 21 1.180 15.909 4.158 1.00 44.51 H new ATOM 0 HB2 GLU A 21 2.069 16.911 6.204 1.00 5.25 H new ATOM 0 HB3 GLU A 21 0.926 17.998 5.440 1.00 5.25 H new ATOM 0 HG2 GLU A 21 -0.838 17.174 7.042 1.00 45.43 H new ATOM 0 HG3 GLU A 21 0.396 16.230 7.852 1.00 45.43 H new ATOM 318 N GLN A 22 -0.416 14.050 6.253 1.00 50.42 N ATOM 319 CA GLN A 22 -0.410 12.772 6.956 1.00 41.15 C ATOM 320 C GLN A 22 -0.313 11.610 5.972 1.00 54.34 C ATOM 321 O GLN A 22 0.352 10.611 6.243 1.00 73.11 O ATOM 322 CB GLN A 22 -1.672 12.630 7.808 1.00 21.41 C ATOM 323 CG GLN A 22 -1.667 11.401 8.703 1.00 13.21 C ATOM 324 CD GLN A 22 -3.015 11.141 9.345 1.00 2.33 C ATOM 325 OE1 GLN A 22 -3.958 11.914 9.172 1.00 12.34 O ATOM 326 NE2 GLN A 22 -3.115 10.046 10.091 1.00 13.21 N ATOM 0 H GLN A 22 -1.335 14.487 6.180 1.00 50.42 H new ATOM 0 HA GLN A 22 0.464 12.747 7.607 1.00 41.15 H new ATOM 0 HB2 GLN A 22 -1.784 13.520 8.427 1.00 21.41 H new ATOM 0 HB3 GLN A 22 -2.541 12.587 7.151 1.00 21.41 H new ATOM 0 HG2 GLN A 22 -1.374 10.530 8.116 1.00 13.21 H new ATOM 0 HG3 GLN A 22 -0.916 11.527 9.483 1.00 13.21 H new ATOM 0 HE21 GLN A 22 -2.308 9.433 10.208 1.00 13.21 H new ATOM 0 HE22 GLN A 22 -3.999 9.818 10.547 1.00 13.21 H new ATOM 335 N GLU A 23 -0.979 11.750 4.832 1.00 64.44 N ATOM 336 CA GLU A 23 -0.969 10.710 3.809 1.00 41.41 C ATOM 337 C GLU A 23 0.431 10.536 3.226 1.00 42.12 C ATOM 338 O GLU A 23 1.313 11.368 3.440 1.00 51.41 O ATOM 339 CB GLU A 23 -1.959 11.051 2.693 1.00 13.04 C ATOM 340 CG GLU A 23 -3.404 11.099 3.156 1.00 34.50 C ATOM 341 CD GLU A 23 -4.255 12.033 2.318 1.00 61.11 C ATOM 342 OE1 GLU A 23 -3.723 12.608 1.345 1.00 3.34 O ATOM 343 OE2 GLU A 23 -5.453 12.190 2.634 1.00 54.04 O ATOM 0 H GLU A 23 -1.532 12.573 4.592 1.00 64.44 H new ATOM 0 HA GLU A 23 -1.269 9.772 4.277 1.00 41.41 H new ATOM 0 HB2 GLU A 23 -1.691 12.017 2.264 1.00 13.04 H new ATOM 0 HB3 GLU A 23 -1.866 10.312 1.897 1.00 13.04 H new ATOM 0 HG2 GLU A 23 -3.827 10.095 3.118 1.00 34.50 H new ATOM 0 HG3 GLU A 23 -3.437 11.419 4.197 1.00 34.50 H new ATOM 351 N LEU A 24 0.627 9.449 2.489 1.00 45.43 N ATOM 352 CA LEU A 24 1.919 9.164 1.874 1.00 11.42 C ATOM 353 C LEU A 24 1.831 9.253 0.354 1.00 43.33 C ATOM 354 O LEU A 24 0.788 8.968 -0.236 1.00 34.51 O ATOM 355 CB LEU A 24 2.407 7.774 2.287 1.00 40.02 C ATOM 356 CG LEU A 24 3.798 7.711 2.919 1.00 64.35 C ATOM 357 CD1 LEU A 24 4.156 6.278 3.282 1.00 61.55 C ATOM 358 CD2 LEU A 24 4.838 8.300 1.977 1.00 51.23 C ATOM 0 H LEU A 24 -0.092 8.750 2.302 1.00 45.43 H new ATOM 0 HA LEU A 24 2.632 9.912 2.222 1.00 11.42 H new ATOM 0 HB2 LEU A 24 1.690 7.354 2.992 1.00 40.02 H new ATOM 0 HB3 LEU A 24 2.401 7.132 1.406 1.00 40.02 H new ATOM 0 HG LEU A 24 3.787 8.303 3.834 1.00 64.35 H new ATOM 0 HD11 LEU A 24 5.149 6.254 3.730 1.00 61.55 H new ATOM 0 HD12 LEU A 24 3.427 5.890 3.993 1.00 61.55 H new ATOM 0 HD13 LEU A 24 4.149 5.662 2.383 1.00 61.55 H new ATOM 0 HD21 LEU A 24 5.822 8.247 2.443 1.00 51.23 H new ATOM 0 HD22 LEU A 24 4.847 7.735 1.045 1.00 51.23 H new ATOM 0 HD23 LEU A 24 4.591 9.341 1.768 1.00 51.23 H new ATOM 370 N ASP A 25 2.932 9.648 -0.276 1.00 1.45 N ATOM 371 CA ASP A 25 2.981 9.771 -1.728 1.00 31.35 C ATOM 372 C ASP A 25 3.330 8.435 -2.375 1.00 4.31 C ATOM 373 O ASP A 25 4.200 7.708 -1.892 1.00 73.44 O ATOM 374 CB ASP A 25 4.002 10.833 -2.137 1.00 63.23 C ATOM 375 CG ASP A 25 5.337 10.651 -1.440 1.00 60.13 C ATOM 376 OD1 ASP A 25 6.341 10.400 -2.139 1.00 55.14 O ATOM 377 OD2 ASP A 25 5.376 10.761 -0.198 1.00 55.23 O ATOM 0 H ASP A 25 3.803 9.889 0.197 1.00 1.45 H new ATOM 0 HA ASP A 25 1.994 10.075 -2.076 1.00 31.35 H new ATOM 0 HB2 ASP A 25 4.150 10.794 -3.216 1.00 63.23 H new ATOM 0 HB3 ASP A 25 3.606 11.822 -1.905 1.00 63.23 H new ATOM 383 N ILE A 26 2.648 8.117 -3.470 1.00 30.21 N ATOM 384 CA ILE A 26 2.886 6.868 -4.182 1.00 42.14 C ATOM 385 C ILE A 26 3.375 7.130 -5.603 1.00 61.03 C ATOM 386 O ILE A 26 3.506 8.280 -6.024 1.00 73.31 O ATOM 387 CB ILE A 26 1.614 6.001 -4.242 1.00 21.01 C ATOM 388 CG1 ILE A 26 0.790 6.350 -5.483 1.00 1.10 C ATOM 389 CG2 ILE A 26 0.787 6.189 -2.979 1.00 65.35 C ATOM 390 CD1 ILE A 26 -0.544 5.640 -5.541 1.00 64.42 C ATOM 0 H ILE A 26 1.926 8.707 -3.883 1.00 30.21 H new ATOM 0 HA ILE A 26 3.656 6.331 -3.627 1.00 42.14 H new ATOM 0 HB ILE A 26 1.908 4.953 -4.308 1.00 21.01 H new ATOM 0 HG12 ILE A 26 0.621 7.427 -5.506 1.00 1.10 H new ATOM 0 HG13 ILE A 26 1.365 6.099 -6.374 1.00 1.10 H new ATOM 0 HG21 ILE A 26 -0.109 5.570 -3.035 1.00 65.35 H new ATOM 0 HG22 ILE A 26 1.377 5.895 -2.111 1.00 65.35 H new ATOM 0 HG23 ILE A 26 0.499 7.236 -2.885 1.00 65.35 H new ATOM 0 HD11 ILE A 26 -1.074 5.935 -6.447 1.00 64.42 H new ATOM 0 HD12 ILE A 26 -0.382 4.562 -5.550 1.00 64.42 H new ATOM 0 HD13 ILE A 26 -1.138 5.911 -4.668 1.00 64.42 H new ATOM 402 N LYS A 27 3.643 6.057 -6.339 1.00 52.41 N ATOM 403 CA LYS A 27 4.115 6.169 -7.714 1.00 72.11 C ATOM 404 C LYS A 27 3.706 4.948 -8.530 1.00 4.01 C ATOM 405 O LYS A 27 3.725 3.821 -8.034 1.00 60.30 O ATOM 406 CB LYS A 27 5.636 6.329 -7.741 1.00 41.41 C ATOM 407 CG LYS A 27 6.197 6.579 -9.131 1.00 53.24 C ATOM 408 CD LYS A 27 6.016 8.029 -9.552 1.00 22.11 C ATOM 409 CE LYS A 27 5.370 8.132 -10.925 1.00 53.14 C ATOM 410 NZ LYS A 27 5.436 9.519 -11.464 1.00 65.23 N ATOM 0 H LYS A 27 3.541 5.098 -6.006 1.00 52.41 H new ATOM 0 HA LYS A 27 3.656 7.052 -8.159 1.00 72.11 H new ATOM 0 HB2 LYS A 27 5.917 7.157 -7.090 1.00 41.41 H new ATOM 0 HB3 LYS A 27 6.095 5.430 -7.329 1.00 41.41 H new ATOM 0 HG2 LYS A 27 7.256 6.323 -9.148 1.00 53.24 H new ATOM 0 HG3 LYS A 27 5.700 5.926 -9.848 1.00 53.24 H new ATOM 0 HD2 LYS A 27 5.399 8.548 -8.818 1.00 22.11 H new ATOM 0 HD3 LYS A 27 6.984 8.529 -9.565 1.00 22.11 H new ATOM 0 HE2 LYS A 27 5.869 7.450 -11.614 1.00 53.14 H new ATOM 0 HE3 LYS A 27 4.329 7.816 -10.862 1.00 53.14 H new ATOM 0 HZ1 LYS A 27 4.986 9.549 -12.401 1.00 65.23 H new ATOM 0 HZ2 LYS A 27 4.938 10.166 -10.820 1.00 65.23 H new ATOM 0 HZ3 LYS A 27 6.430 9.812 -11.548 1.00 65.23 H new ATOM 424 N LYS A 28 3.339 5.178 -9.786 1.00 24.20 N ATOM 425 CA LYS A 28 2.929 4.096 -10.674 1.00 25.33 C ATOM 426 C LYS A 28 3.995 3.007 -10.733 1.00 44.11 C ATOM 427 O LYS A 28 5.128 3.255 -11.144 1.00 65.52 O ATOM 428 CB LYS A 28 2.659 4.637 -12.080 1.00 42.21 C ATOM 429 CG LYS A 28 2.475 3.550 -13.125 1.00 51.45 C ATOM 430 CD LYS A 28 2.446 4.127 -14.530 1.00 43.14 C ATOM 431 CE LYS A 28 1.022 4.365 -15.006 1.00 74.25 C ATOM 432 NZ LYS A 28 0.877 5.682 -15.687 1.00 1.11 N ATOM 0 H LYS A 28 3.317 6.104 -10.212 1.00 24.20 H new ATOM 0 HA LYS A 28 2.012 3.661 -10.276 1.00 25.33 H new ATOM 0 HB2 LYS A 28 1.765 5.260 -12.055 1.00 42.21 H new ATOM 0 HB3 LYS A 28 3.487 5.280 -12.378 1.00 42.21 H new ATOM 0 HG2 LYS A 28 3.286 2.826 -13.045 1.00 51.45 H new ATOM 0 HG3 LYS A 28 1.547 3.012 -12.932 1.00 51.45 H new ATOM 0 HD2 LYS A 28 2.999 5.066 -14.550 1.00 43.14 H new ATOM 0 HD3 LYS A 28 2.950 3.445 -15.215 1.00 43.14 H new ATOM 0 HE2 LYS A 28 0.730 3.568 -15.690 1.00 74.25 H new ATOM 0 HE3 LYS A 28 0.342 4.319 -14.155 1.00 74.25 H new ATOM 0 HZ1 LYS A 28 -0.108 5.806 -15.996 1.00 1.11 H new ATOM 0 HZ2 LYS A 28 1.131 6.444 -15.027 1.00 1.11 H new ATOM 0 HZ3 LYS A 28 1.507 5.716 -16.514 1.00 1.11 H new ATOM 446 N ASN A 29 3.624 1.799 -10.320 1.00 20.24 N ATOM 447 CA ASN A 29 4.549 0.671 -10.327 1.00 31.45 C ATOM 448 C ASN A 29 5.552 0.784 -9.183 1.00 41.42 C ATOM 449 O ASN A 29 6.740 0.515 -9.359 1.00 1.32 O ATOM 450 CB ASN A 29 5.288 0.599 -11.665 1.00 35.21 C ATOM 451 CG ASN A 29 5.157 -0.760 -12.326 1.00 52.33 C ATOM 452 OD1 ASN A 29 5.617 -1.769 -11.792 1.00 35.54 O ATOM 453 ND2 ASN A 29 4.527 -0.790 -13.494 1.00 42.14 N ATOM 0 H ASN A 29 2.690 1.576 -9.976 1.00 20.24 H new ATOM 0 HA ASN A 29 3.971 -0.243 -10.190 1.00 31.45 H new ATOM 0 HB2 ASN A 29 4.897 1.365 -12.335 1.00 35.21 H new ATOM 0 HB3 ASN A 29 6.343 0.823 -11.507 1.00 35.21 H new ATOM 0 HD21 ASN A 29 4.408 -1.675 -13.987 1.00 42.14 H new ATOM 0 HD22 ASN A 29 4.162 0.072 -13.899 1.00 42.14 H new ATOM 460 N GLU A 30 5.065 1.182 -8.013 1.00 73.33 N ATOM 461 CA GLU A 30 5.920 1.331 -6.841 1.00 34.32 C ATOM 462 C GLU A 30 5.415 0.470 -5.686 1.00 61.21 C ATOM 463 O GLU A 30 4.350 0.728 -5.125 1.00 72.02 O ATOM 464 CB GLU A 30 5.981 2.798 -6.409 1.00 3.54 C ATOM 465 CG GLU A 30 7.197 3.132 -5.561 1.00 33.23 C ATOM 466 CD GLU A 30 8.372 3.611 -6.390 1.00 41.44 C ATOM 467 OE1 GLU A 30 8.185 4.543 -7.200 1.00 63.21 O ATOM 468 OE2 GLU A 30 9.479 3.056 -6.229 1.00 14.14 O ATOM 0 H GLU A 30 4.083 1.407 -7.851 1.00 73.33 H new ATOM 0 HA GLU A 30 6.922 0.997 -7.110 1.00 34.32 H new ATOM 0 HB2 GLU A 30 5.983 3.430 -7.297 1.00 3.54 H new ATOM 0 HB3 GLU A 30 5.079 3.041 -5.847 1.00 3.54 H new ATOM 0 HG2 GLU A 30 6.930 3.902 -4.837 1.00 33.23 H new ATOM 0 HG3 GLU A 30 7.493 2.250 -4.994 1.00 33.23 H new ATOM 476 N ARG A 31 6.187 -0.555 -5.338 1.00 63.23 N ATOM 477 CA ARG A 31 5.818 -1.456 -4.253 1.00 61.40 C ATOM 478 C ARG A 31 5.849 -0.731 -2.911 1.00 52.11 C ATOM 479 O ARG A 31 6.677 0.154 -2.691 1.00 14.42 O ATOM 480 CB ARG A 31 6.761 -2.659 -4.217 1.00 24.12 C ATOM 481 CG ARG A 31 6.317 -3.809 -5.107 1.00 73.41 C ATOM 482 CD ARG A 31 6.266 -3.393 -6.569 1.00 1.32 C ATOM 483 NE ARG A 31 7.186 -4.174 -7.392 1.00 53.53 N ATOM 484 CZ ARG A 31 6.886 -5.360 -7.908 1.00 12.54 C ATOM 485 NH1 ARG A 31 5.696 -5.900 -7.689 1.00 33.12 N ATOM 486 NH2 ARG A 31 7.778 -6.008 -8.646 1.00 1.13 N ATOM 0 H ARG A 31 7.072 -0.782 -5.792 1.00 63.23 H new ATOM 0 HA ARG A 31 4.802 -1.806 -4.434 1.00 61.40 H new ATOM 0 HB2 ARG A 31 7.757 -2.338 -4.522 1.00 24.12 H new ATOM 0 HB3 ARG A 31 6.842 -3.016 -3.190 1.00 24.12 H new ATOM 0 HG2 ARG A 31 7.003 -4.648 -4.990 1.00 73.41 H new ATOM 0 HG3 ARG A 31 5.333 -4.156 -4.792 1.00 73.41 H new ATOM 0 HD2 ARG A 31 5.250 -3.515 -6.945 1.00 1.32 H new ATOM 0 HD3 ARG A 31 6.513 -2.335 -6.654 1.00 1.32 H new ATOM 0 HE ARG A 31 8.110 -3.787 -7.581 1.00 53.53 H new ATOM 0 HH11 ARG A 31 5.007 -5.404 -7.123 1.00 33.12 H new ATOM 0 HH12 ARG A 31 5.468 -6.811 -8.087 1.00 33.12 H new ATOM 0 HH21 ARG A 31 8.695 -5.595 -8.817 1.00 1.13 H new ATOM 0 HH22 ARG A 31 7.547 -6.919 -9.042 1.00 1.13 H new ATOM 500 N LEU A 32 4.941 -1.111 -2.018 1.00 44.42 N ATOM 501 CA LEU A 32 4.865 -0.496 -0.697 1.00 20.34 C ATOM 502 C LEU A 32 4.541 -1.538 0.369 1.00 14.13 C ATOM 503 O LEU A 32 4.068 -2.632 0.060 1.00 41.33 O ATOM 504 CB LEU A 32 3.806 0.607 -0.687 1.00 21.44 C ATOM 505 CG LEU A 32 4.192 1.915 -1.377 1.00 65.33 C ATOM 506 CD1 LEU A 32 2.949 2.673 -1.818 1.00 3.50 C ATOM 507 CD2 LEU A 32 5.044 2.774 -0.455 1.00 63.13 C ATOM 0 H LEU A 32 4.248 -1.841 -2.184 1.00 44.42 H new ATOM 0 HA LEU A 32 5.837 -0.059 -0.469 1.00 20.34 H new ATOM 0 HB2 LEU A 32 2.904 0.221 -1.162 1.00 21.44 H new ATOM 0 HB3 LEU A 32 3.550 0.828 0.349 1.00 21.44 H new ATOM 0 HG LEU A 32 4.780 1.676 -2.263 1.00 65.33 H new ATOM 0 HD11 LEU A 32 3.243 3.601 -2.307 1.00 3.50 H new ATOM 0 HD12 LEU A 32 2.378 2.061 -2.516 1.00 3.50 H new ATOM 0 HD13 LEU A 32 2.334 2.901 -0.948 1.00 3.50 H new ATOM 0 HD21 LEU A 32 5.309 3.701 -0.963 1.00 63.13 H new ATOM 0 HD22 LEU A 32 4.482 3.004 0.450 1.00 63.13 H new ATOM 0 HD23 LEU A 32 5.952 2.233 -0.190 1.00 63.13 H new ATOM 519 N TRP A 33 4.796 -1.190 1.625 1.00 53.52 N ATOM 520 CA TRP A 33 4.531 -2.094 2.738 1.00 20.03 C ATOM 521 C TRP A 33 3.226 -1.727 3.438 1.00 3.41 C ATOM 522 O TRP A 33 3.086 -0.625 3.971 1.00 21.53 O ATOM 523 CB TRP A 33 5.688 -2.061 3.737 1.00 35.41 C ATOM 524 CG TRP A 33 6.986 -2.538 3.160 1.00 33.31 C ATOM 525 CD1 TRP A 33 7.431 -3.828 3.097 1.00 74.34 C ATOM 526 CD2 TRP A 33 8.008 -1.729 2.566 1.00 21.41 C ATOM 527 NE1 TRP A 33 8.667 -3.869 2.500 1.00 43.01 N ATOM 528 CE2 TRP A 33 9.043 -2.596 2.164 1.00 63.34 C ATOM 529 CE3 TRP A 33 8.147 -0.358 2.332 1.00 4.10 C ATOM 530 CZ2 TRP A 33 10.201 -2.134 1.543 1.00 25.30 C ATOM 531 CZ3 TRP A 33 9.297 0.098 1.717 1.00 4.40 C ATOM 532 CH2 TRP A 33 10.311 -0.788 1.327 1.00 72.25 C ATOM 0 H TRP A 33 5.186 -0.288 1.898 1.00 53.52 H new ATOM 0 HA TRP A 33 4.436 -3.104 2.339 1.00 20.03 H new ATOM 0 HB2 TRP A 33 5.814 -1.042 4.102 1.00 35.41 H new ATOM 0 HB3 TRP A 33 5.433 -2.679 4.598 1.00 35.41 H new ATOM 0 HD1 TRP A 33 6.891 -4.689 3.463 1.00 74.34 H new ATOM 0 HE1 TRP A 33 9.217 -4.712 2.334 1.00 43.01 H new ATOM 0 HE3 TRP A 33 7.370 0.332 2.626 1.00 4.10 H new ATOM 0 HZ2 TRP A 33 10.984 -2.814 1.243 1.00 25.30 H new ATOM 0 HZ3 TRP A 33 9.417 1.156 1.533 1.00 4.40 H new ATOM 0 HH2 TRP A 33 11.197 -0.400 0.846 1.00 72.25 H new ATOM 543 N LEU A 34 2.277 -2.656 3.435 1.00 31.52 N ATOM 544 CA LEU A 34 0.983 -2.429 4.070 1.00 54.44 C ATOM 545 C LEU A 34 1.074 -2.636 5.579 1.00 21.13 C ATOM 546 O LEU A 34 1.589 -3.654 6.046 1.00 54.35 O ATOM 547 CB LEU A 34 -0.070 -3.367 3.477 1.00 14.40 C ATOM 548 CG LEU A 34 -1.505 -3.157 3.964 1.00 45.04 C ATOM 549 CD1 LEU A 34 -2.140 -1.970 3.255 1.00 42.40 C ATOM 550 CD2 LEU A 34 -2.331 -4.415 3.744 1.00 31.43 C ATOM 0 H LEU A 34 2.379 -3.573 3.000 1.00 31.52 H new ATOM 0 HA LEU A 34 0.688 -1.397 3.880 1.00 54.44 H new ATOM 0 HB2 LEU A 34 -0.056 -3.258 2.393 1.00 14.40 H new ATOM 0 HB3 LEU A 34 0.221 -4.394 3.698 1.00 14.40 H new ATOM 0 HG LEU A 34 -1.479 -2.945 5.033 1.00 45.04 H new ATOM 0 HD11 LEU A 34 -3.160 -1.835 3.614 1.00 42.40 H new ATOM 0 HD12 LEU A 34 -1.561 -1.070 3.462 1.00 42.40 H new ATOM 0 HD13 LEU A 34 -2.154 -2.153 2.181 1.00 42.40 H new ATOM 0 HD21 LEU A 34 -3.349 -4.248 4.096 1.00 31.43 H new ATOM 0 HD22 LEU A 34 -2.350 -4.657 2.681 1.00 31.43 H new ATOM 0 HD23 LEU A 34 -1.887 -5.243 4.297 1.00 31.43 H new ATOM 562 N LEU A 35 0.569 -1.669 6.335 1.00 74.20 N ATOM 563 CA LEU A 35 0.590 -1.746 7.792 1.00 11.32 C ATOM 564 C LEU A 35 -0.819 -1.907 8.350 1.00 71.53 C ATOM 565 O LEU A 35 -1.149 -2.931 8.948 1.00 11.11 O ATOM 566 CB LEU A 35 1.244 -0.494 8.380 1.00 61.31 C ATOM 567 CG LEU A 35 2.691 -0.232 7.960 1.00 64.53 C ATOM 568 CD1 LEU A 35 3.106 1.184 8.328 1.00 22.41 C ATOM 569 CD2 LEU A 35 3.625 -1.248 8.601 1.00 63.34 C ATOM 0 H LEU A 35 0.140 -0.822 5.964 1.00 74.20 H new ATOM 0 HA LEU A 35 1.175 -2.621 8.076 1.00 11.32 H new ATOM 0 HB2 LEU A 35 0.643 0.371 8.100 1.00 61.31 H new ATOM 0 HB3 LEU A 35 1.210 -0.567 9.467 1.00 61.31 H new ATOM 0 HG LEU A 35 2.760 -0.338 6.877 1.00 64.53 H new ATOM 0 HD11 LEU A 35 4.138 1.352 8.021 1.00 22.41 H new ATOM 0 HD12 LEU A 35 2.456 1.897 7.821 1.00 22.41 H new ATOM 0 HD13 LEU A 35 3.021 1.319 9.406 1.00 22.41 H new ATOM 0 HD21 LEU A 35 4.650 -1.046 8.291 1.00 63.34 H new ATOM 0 HD22 LEU A 35 3.553 -1.175 9.686 1.00 63.34 H new ATOM 0 HD23 LEU A 35 3.342 -2.252 8.286 1.00 63.34 H new ATOM 581 N ASP A 36 -1.650 -0.889 8.148 1.00 14.43 N ATOM 582 CA ASP A 36 -3.027 -0.918 8.628 1.00 13.42 C ATOM 583 C ASP A 36 -4.009 -0.842 7.464 1.00 30.32 C ATOM 584 O ASP A 36 -4.124 0.190 6.802 1.00 10.03 O ATOM 585 CB ASP A 36 -3.275 0.237 9.598 1.00 21.41 C ATOM 586 CG ASP A 36 -3.563 -0.242 11.007 1.00 34.50 C ATOM 587 OD1 ASP A 36 -2.921 -1.220 11.445 1.00 53.04 O ATOM 588 OD2 ASP A 36 -4.430 0.361 11.673 1.00 61.31 O ATOM 0 H ASP A 36 -1.394 -0.034 7.655 1.00 14.43 H new ATOM 0 HA ASP A 36 -3.184 -1.861 9.151 1.00 13.42 H new ATOM 0 HB2 ASP A 36 -2.403 0.891 9.611 1.00 21.41 H new ATOM 0 HB3 ASP A 36 -4.115 0.833 9.241 1.00 21.41 H new ATOM 594 N ASP A 37 -4.715 -1.941 7.219 1.00 60.03 N ATOM 595 CA ASP A 37 -5.688 -1.999 6.135 1.00 71.23 C ATOM 596 C ASP A 37 -7.092 -2.253 6.677 1.00 13.40 C ATOM 597 O ASP A 37 -7.928 -2.856 6.005 1.00 41.34 O ATOM 598 CB ASP A 37 -5.308 -3.094 5.138 1.00 2.20 C ATOM 599 CG ASP A 37 -5.199 -4.459 5.790 1.00 43.12 C ATOM 600 OD1 ASP A 37 -6.042 -5.330 5.486 1.00 14.32 O ATOM 601 OD2 ASP A 37 -4.272 -4.656 6.601 1.00 33.12 O ATOM 0 H ASP A 37 -4.631 -2.804 7.757 1.00 60.03 H new ATOM 0 HA ASP A 37 -5.684 -1.036 5.625 1.00 71.23 H new ATOM 0 HB2 ASP A 37 -6.053 -3.133 4.344 1.00 2.20 H new ATOM 0 HB3 ASP A 37 -4.357 -2.841 4.670 1.00 2.20 H new ATOM 607 N SER A 38 -7.341 -1.790 7.898 1.00 44.13 N ATOM 608 CA SER A 38 -8.641 -1.971 8.533 1.00 63.11 C ATOM 609 C SER A 38 -9.527 -0.747 8.318 1.00 41.41 C ATOM 610 O SER A 38 -10.706 -0.870 7.987 1.00 52.14 O ATOM 611 CB SER A 38 -8.469 -2.234 10.030 1.00 75.43 C ATOM 612 OG SER A 38 -8.734 -3.589 10.344 1.00 24.13 O ATOM 0 H SER A 38 -6.660 -1.287 8.467 1.00 44.13 H new ATOM 0 HA SER A 38 -9.125 -2.833 8.073 1.00 63.11 H new ATOM 0 HB2 SER A 38 -7.453 -1.979 10.333 1.00 75.43 H new ATOM 0 HB3 SER A 38 -9.141 -1.588 10.595 1.00 75.43 H new ATOM 0 HG SER A 38 -8.615 -3.731 11.306 1.00 24.13 H new ATOM 618 N LYS A 39 -8.948 0.434 8.508 1.00 71.11 N ATOM 619 CA LYS A 39 -9.681 1.682 8.334 1.00 34.22 C ATOM 620 C LYS A 39 -9.902 1.982 6.855 1.00 72.10 C ATOM 621 O LYS A 39 -9.109 1.577 6.005 1.00 61.44 O ATOM 622 CB LYS A 39 -8.924 2.838 8.993 1.00 3.12 C ATOM 623 CG LYS A 39 -9.347 3.105 10.426 1.00 31.15 C ATOM 624 CD LYS A 39 -10.391 4.206 10.504 1.00 22.11 C ATOM 625 CE LYS A 39 -10.072 5.199 11.611 1.00 73.34 C ATOM 626 NZ LYS A 39 -11.280 5.547 12.409 1.00 70.31 N ATOM 0 H LYS A 39 -7.973 0.553 8.783 1.00 71.11 H new ATOM 0 HA LYS A 39 -10.654 1.573 8.813 1.00 34.22 H new ATOM 0 HB2 LYS A 39 -7.856 2.620 8.973 1.00 3.12 H new ATOM 0 HB3 LYS A 39 -9.075 3.743 8.404 1.00 3.12 H new ATOM 0 HG2 LYS A 39 -9.748 2.191 10.864 1.00 31.15 H new ATOM 0 HG3 LYS A 39 -8.475 3.386 11.017 1.00 31.15 H new ATOM 0 HD2 LYS A 39 -10.442 4.728 9.549 1.00 22.11 H new ATOM 0 HD3 LYS A 39 -11.373 3.766 10.680 1.00 22.11 H new ATOM 0 HE2 LYS A 39 -9.311 4.778 12.268 1.00 73.34 H new ATOM 0 HE3 LYS A 39 -9.651 6.105 11.176 1.00 73.34 H new ATOM 0 HZ1 LYS A 39 -11.021 6.226 13.153 1.00 70.31 H new ATOM 0 HZ2 LYS A 39 -11.997 5.972 11.787 1.00 70.31 H new ATOM 0 HZ3 LYS A 39 -11.668 4.686 12.845 1.00 70.31 H new ATOM 640 N SER A 40 -10.983 2.694 6.556 1.00 74.25 N ATOM 641 CA SER A 40 -11.310 3.047 5.179 1.00 11.20 C ATOM 642 C SER A 40 -10.042 3.293 4.367 1.00 44.34 C ATOM 643 O SER A 40 -9.879 2.754 3.271 1.00 55.43 O ATOM 644 CB SER A 40 -12.200 4.291 5.146 1.00 0.21 C ATOM 645 OG SER A 40 -13.380 4.093 5.904 1.00 23.12 O ATOM 0 H SER A 40 -11.648 3.038 7.249 1.00 74.25 H new ATOM 0 HA SER A 40 -11.850 2.212 4.734 1.00 11.20 H new ATOM 0 HB2 SER A 40 -11.650 5.146 5.540 1.00 0.21 H new ATOM 0 HB3 SER A 40 -12.462 4.528 4.115 1.00 0.21 H new ATOM 0 HG SER A 40 -13.931 4.903 5.869 1.00 23.12 H new ATOM 651 N TRP A 41 -9.148 4.111 4.911 1.00 64.22 N ATOM 652 CA TRP A 41 -7.894 4.430 4.237 1.00 62.54 C ATOM 653 C TRP A 41 -6.829 3.385 4.547 1.00 4.20 C ATOM 654 O TRP A 41 -6.539 3.108 5.711 1.00 41.22 O ATOM 655 CB TRP A 41 -7.404 5.816 4.656 1.00 72.41 C ATOM 656 CG TRP A 41 -8.220 6.934 4.081 1.00 52.44 C ATOM 657 CD1 TRP A 41 -9.510 7.253 4.395 1.00 22.42 C ATOM 658 CD2 TRP A 41 -7.801 7.880 3.091 1.00 51.41 C ATOM 659 NE1 TRP A 41 -9.919 8.340 3.660 1.00 42.40 N ATOM 660 CE2 TRP A 41 -8.888 8.743 2.852 1.00 75.20 C ATOM 661 CE3 TRP A 41 -6.613 8.082 2.383 1.00 14.15 C ATOM 662 CZ2 TRP A 41 -8.820 9.790 1.936 1.00 13.04 C ATOM 663 CZ3 TRP A 41 -6.547 9.121 1.475 1.00 62.21 C ATOM 664 CH2 TRP A 41 -7.644 9.965 1.259 1.00 61.31 C ATOM 0 H TRP A 41 -9.268 4.565 5.816 1.00 64.22 H new ATOM 0 HA TRP A 41 -8.077 4.427 3.162 1.00 62.54 H new ATOM 0 HB2 TRP A 41 -7.421 5.886 5.744 1.00 72.41 H new ATOM 0 HB3 TRP A 41 -6.366 5.936 4.345 1.00 72.41 H new ATOM 0 HD1 TRP A 41 -10.120 6.728 5.115 1.00 22.42 H new ATOM 0 HE1 TRP A 41 -10.840 8.776 3.708 1.00 42.40 H new ATOM 0 HE3 TRP A 41 -5.762 7.437 2.543 1.00 14.15 H new ATOM 0 HZ2 TRP A 41 -9.665 10.440 1.766 1.00 13.04 H new ATOM 0 HZ3 TRP A 41 -5.634 9.285 0.922 1.00 62.21 H new ATOM 0 HH2 TRP A 41 -7.560 10.770 0.544 1.00 61.31 H new ATOM 675 N TRP A 42 -6.249 2.809 3.500 1.00 24.04 N ATOM 676 CA TRP A 42 -5.215 1.793 3.662 1.00 3.30 C ATOM 677 C TRP A 42 -3.859 2.436 3.931 1.00 42.05 C ATOM 678 O TRP A 42 -3.266 3.049 3.043 1.00 41.53 O ATOM 679 CB TRP A 42 -5.137 0.911 2.415 1.00 12.03 C ATOM 680 CG TRP A 42 -6.034 -0.288 2.479 1.00 61.03 C ATOM 681 CD1 TRP A 42 -7.192 -0.408 3.192 1.00 14.22 C ATOM 682 CD2 TRP A 42 -5.845 -1.536 1.803 1.00 24.02 C ATOM 683 NE1 TRP A 42 -7.734 -1.656 3.002 1.00 34.02 N ATOM 684 CE2 TRP A 42 -6.928 -2.367 2.153 1.00 53.32 C ATOM 685 CE3 TRP A 42 -4.869 -2.032 0.935 1.00 51.43 C ATOM 686 CZ2 TRP A 42 -7.058 -3.664 1.665 1.00 12.35 C ATOM 687 CZ3 TRP A 42 -4.999 -3.320 0.452 1.00 73.02 C ATOM 688 CH2 TRP A 42 -6.086 -4.125 0.817 1.00 71.23 C ATOM 0 H TRP A 42 -6.477 3.028 2.530 1.00 24.04 H new ATOM 0 HA TRP A 42 -5.480 1.174 4.519 1.00 3.30 H new ATOM 0 HB2 TRP A 42 -5.400 1.506 1.541 1.00 12.03 H new ATOM 0 HB3 TRP A 42 -4.108 0.579 2.277 1.00 12.03 H new ATOM 0 HD1 TRP A 42 -7.619 0.365 3.814 1.00 14.22 H new ATOM 0 HE1 TRP A 42 -8.597 -1.998 3.425 1.00 34.02 H new ATOM 0 HE3 TRP A 42 -4.028 -1.419 0.647 1.00 51.43 H new ATOM 0 HZ2 TRP A 42 -7.896 -4.285 1.945 1.00 12.35 H new ATOM 0 HZ3 TRP A 42 -4.249 -3.713 -0.219 1.00 73.02 H new ATOM 0 HH2 TRP A 42 -6.159 -5.128 0.422 1.00 71.23 H new ATOM 699 N ARG A 43 -3.373 2.292 5.160 1.00 44.24 N ATOM 700 CA ARG A 43 -2.087 2.861 5.545 1.00 3.11 C ATOM 701 C ARG A 43 -0.937 1.989 5.047 1.00 62.21 C ATOM 702 O ARG A 43 -0.922 0.778 5.266 1.00 0.31 O ATOM 703 CB ARG A 43 -2.006 3.011 7.065 1.00 44.11 C ATOM 704 CG ARG A 43 -0.641 3.460 7.560 1.00 52.40 C ATOM 705 CD ARG A 43 -0.501 3.264 9.062 1.00 45.03 C ATOM 706 NE ARG A 43 0.149 4.402 9.704 1.00 73.14 N ATOM 707 CZ ARG A 43 0.578 4.392 10.962 1.00 24.24 C ATOM 708 NH1 ARG A 43 0.427 3.305 11.707 1.00 64.31 N ATOM 709 NH2 ARG A 43 1.160 5.467 11.475 1.00 72.23 N ATOM 0 H ARG A 43 -3.851 1.786 5.906 1.00 44.24 H new ATOM 0 HA ARG A 43 -2.001 3.845 5.085 1.00 3.11 H new ATOM 0 HB2 ARG A 43 -2.756 3.731 7.391 1.00 44.11 H new ATOM 0 HB3 ARG A 43 -2.256 2.057 7.530 1.00 44.11 H new ATOM 0 HG2 ARG A 43 0.137 2.897 7.044 1.00 52.40 H new ATOM 0 HG3 ARG A 43 -0.491 4.511 7.314 1.00 52.40 H new ATOM 0 HD2 ARG A 43 -1.487 3.115 9.501 1.00 45.03 H new ATOM 0 HD3 ARG A 43 0.075 2.360 9.257 1.00 45.03 H new ATOM 0 HE ARG A 43 0.281 5.253 9.157 1.00 73.14 H new ATOM 0 HH11 ARG A 43 -0.019 2.476 11.315 1.00 64.31 H new ATOM 0 HH12 ARG A 43 0.757 3.298 12.672 1.00 64.31 H new ATOM 0 HH21 ARG A 43 1.279 6.304 10.904 1.00 72.23 H new ATOM 0 HH22 ARG A 43 1.488 5.457 12.441 1.00 72.23 H new ATOM 723 N VAL A 44 0.025 2.615 4.374 1.00 35.33 N ATOM 724 CA VAL A 44 1.179 1.898 3.845 1.00 33.25 C ATOM 725 C VAL A 44 2.480 2.592 4.229 1.00 43.43 C ATOM 726 O VAL A 44 2.470 3.697 4.773 1.00 65.45 O ATOM 727 CB VAL A 44 1.108 1.773 2.313 1.00 63.34 C ATOM 728 CG1 VAL A 44 -0.170 1.062 1.892 1.00 32.00 C ATOM 729 CG2 VAL A 44 1.203 3.145 1.662 1.00 61.22 C ATOM 0 H VAL A 44 0.027 3.617 4.183 1.00 35.33 H new ATOM 0 HA VAL A 44 1.160 0.900 4.284 1.00 33.25 H new ATOM 0 HB VAL A 44 1.955 1.176 1.976 1.00 63.34 H new ATOM 0 HG11 VAL A 44 -0.202 0.983 0.805 1.00 32.00 H new ATOM 0 HG12 VAL A 44 -0.192 0.064 2.329 1.00 32.00 H new ATOM 0 HG13 VAL A 44 -1.033 1.629 2.240 1.00 32.00 H new ATOM 0 HG21 VAL A 44 1.151 3.038 0.579 1.00 61.22 H new ATOM 0 HG22 VAL A 44 0.377 3.768 2.005 1.00 61.22 H new ATOM 0 HG23 VAL A 44 2.149 3.613 1.936 1.00 61.22 H new ATOM 739 N ARG A 45 3.600 1.938 3.942 1.00 41.12 N ATOM 740 CA ARG A 45 4.912 2.493 4.257 1.00 62.41 C ATOM 741 C ARG A 45 5.766 2.616 2.998 1.00 14.31 C ATOM 742 O ARG A 45 5.617 1.839 2.056 1.00 54.30 O ATOM 743 CB ARG A 45 5.626 1.616 5.287 1.00 32.43 C ATOM 744 CG ARG A 45 6.655 2.367 6.116 1.00 11.45 C ATOM 745 CD ARG A 45 7.620 1.412 6.802 1.00 75.23 C ATOM 746 NE ARG A 45 8.909 1.351 6.118 1.00 52.02 N ATOM 747 CZ ARG A 45 9.994 0.790 6.642 1.00 34.52 C ATOM 748 NH1 ARG A 45 9.944 0.245 7.850 1.00 60.22 N ATOM 749 NH2 ARG A 45 11.130 0.773 5.957 1.00 33.32 N ATOM 0 H ARG A 45 3.626 1.023 3.492 1.00 41.12 H new ATOM 0 HA ARG A 45 4.767 3.489 4.676 1.00 62.41 H new ATOM 0 HB2 ARG A 45 4.885 1.177 5.954 1.00 32.43 H new ATOM 0 HB3 ARG A 45 6.119 0.792 4.771 1.00 32.43 H new ATOM 0 HG2 ARG A 45 7.212 3.051 5.475 1.00 11.45 H new ATOM 0 HG3 ARG A 45 6.147 2.974 6.865 1.00 11.45 H new ATOM 0 HD2 ARG A 45 7.772 1.729 7.834 1.00 75.23 H new ATOM 0 HD3 ARG A 45 7.180 0.415 6.836 1.00 75.23 H new ATOM 0 HE ARG A 45 8.980 1.761 5.187 1.00 52.02 H new ATOM 0 HH11 ARG A 45 9.072 0.256 8.379 1.00 60.22 H new ATOM 0 HH12 ARG A 45 10.778 -0.185 8.250 1.00 60.22 H new ATOM 0 HH21 ARG A 45 11.171 1.191 5.027 1.00 33.32 H new ATOM 0 HH22 ARG A 45 11.962 0.342 6.360 1.00 33.32 H new ATOM 763 N ASN A 46 6.662 3.599 2.992 1.00 23.51 N ATOM 764 CA ASN A 46 7.539 3.825 1.849 1.00 42.52 C ATOM 765 C ASN A 46 8.975 3.430 2.181 1.00 43.10 C ATOM 766 O ASN A 46 9.319 3.217 3.342 1.00 55.41 O ATOM 767 CB ASN A 46 7.487 5.292 1.422 1.00 71.44 C ATOM 768 CG ASN A 46 7.896 5.489 -0.024 1.00 45.42 C ATOM 769 OD1 ASN A 46 9.034 5.209 -0.403 1.00 41.33 O ATOM 770 ND2 ASN A 46 6.968 5.973 -0.841 1.00 65.21 N ATOM 0 H ASN A 46 6.799 4.250 3.765 1.00 23.51 H new ATOM 0 HA ASN A 46 7.190 3.202 1.025 1.00 42.52 H new ATOM 0 HB2 ASN A 46 6.476 5.674 1.566 1.00 71.44 H new ATOM 0 HB3 ASN A 46 8.143 5.878 2.065 1.00 71.44 H new ATOM 0 HD21 ASN A 46 7.185 6.127 -1.826 1.00 65.21 H new ATOM 0 HD22 ASN A 46 6.038 6.191 -0.484 1.00 65.21 H new ATOM 777 N SER A 47 9.809 3.336 1.150 1.00 54.30 N ATOM 778 CA SER A 47 11.208 2.964 1.330 1.00 51.41 C ATOM 779 C SER A 47 11.933 3.984 2.203 1.00 50.14 C ATOM 780 O SER A 47 12.971 3.686 2.795 1.00 60.32 O ATOM 781 CB SER A 47 11.906 2.850 -0.026 1.00 24.04 C ATOM 782 OG SER A 47 12.173 4.129 -0.573 1.00 35.32 O ATOM 0 H SER A 47 9.541 3.512 0.182 1.00 54.30 H new ATOM 0 HA SER A 47 11.239 1.996 1.829 1.00 51.41 H new ATOM 0 HB2 SER A 47 12.839 2.298 0.087 1.00 24.04 H new ATOM 0 HB3 SER A 47 11.280 2.281 -0.713 1.00 24.04 H new ATOM 0 HG SER A 47 11.344 4.651 -0.604 1.00 35.32 H new ATOM 788 N MET A 48 11.379 5.190 2.278 1.00 72.14 N ATOM 789 CA MET A 48 11.971 6.255 3.080 1.00 63.11 C ATOM 790 C MET A 48 11.637 6.073 4.557 1.00 63.04 C ATOM 791 O MET A 48 11.908 6.950 5.376 1.00 61.11 O ATOM 792 CB MET A 48 11.477 7.621 2.597 1.00 24.13 C ATOM 793 CG MET A 48 12.210 8.131 1.367 1.00 12.02 C ATOM 794 SD MET A 48 13.594 9.210 1.781 1.00 31.12 S ATOM 795 CE MET A 48 14.878 8.003 2.106 1.00 72.51 C ATOM 0 H MET A 48 10.521 5.454 1.793 1.00 72.14 H new ATOM 0 HA MET A 48 13.054 6.206 2.962 1.00 63.11 H new ATOM 0 HB2 MET A 48 10.412 7.555 2.374 1.00 24.13 H new ATOM 0 HB3 MET A 48 11.590 8.345 3.404 1.00 24.13 H new ATOM 0 HG2 MET A 48 12.576 7.282 0.789 1.00 12.02 H new ATOM 0 HG3 MET A 48 11.510 8.672 0.730 1.00 12.02 H new ATOM 0 HE1 MET A 48 15.849 8.428 1.854 1.00 72.51 H new ATOM 0 HE2 MET A 48 14.863 7.731 3.162 1.00 72.51 H new ATOM 0 HE3 MET A 48 14.703 7.114 1.500 1.00 72.51 H new ATOM 805 N ASN A 49 11.047 4.930 4.890 1.00 62.04 N ATOM 806 CA ASN A 49 10.676 4.634 6.269 1.00 61.01 C ATOM 807 C ASN A 49 9.449 5.440 6.686 1.00 32.31 C ATOM 808 O ASN A 49 8.934 5.279 7.793 1.00 23.41 O ATOM 809 CB ASN A 49 11.844 4.939 7.209 1.00 32.24 C ATOM 810 CG ASN A 49 11.480 5.960 8.271 1.00 3.34 C ATOM 811 OD1 ASN A 49 11.602 5.697 9.468 1.00 63.24 O ATOM 812 ND2 ASN A 49 11.031 7.130 7.836 1.00 70.14 N ATOM 0 H ASN A 49 10.815 4.193 4.224 1.00 62.04 H new ATOM 0 HA ASN A 49 10.432 3.574 6.335 1.00 61.01 H new ATOM 0 HB2 ASN A 49 12.169 4.017 7.691 1.00 32.24 H new ATOM 0 HB3 ASN A 49 12.688 5.309 6.627 1.00 32.24 H new ATOM 0 HD21 ASN A 49 10.770 7.856 8.503 1.00 70.14 H new ATOM 0 HD22 ASN A 49 10.947 7.303 6.834 1.00 70.14 H new ATOM 819 N LYS A 50 8.985 6.306 5.793 1.00 44.42 N ATOM 820 CA LYS A 50 7.818 7.136 6.065 1.00 62.00 C ATOM 821 C LYS A 50 6.533 6.323 5.948 1.00 34.14 C ATOM 822 O LYS A 50 6.534 5.212 5.418 1.00 2.03 O ATOM 823 CB LYS A 50 7.772 8.323 5.099 1.00 2.33 C ATOM 824 CG LYS A 50 9.114 9.012 4.919 1.00 32.23 C ATOM 825 CD LYS A 50 9.186 9.755 3.595 1.00 10.13 C ATOM 826 CE LYS A 50 8.716 11.195 3.739 1.00 44.02 C ATOM 827 NZ LYS A 50 9.041 12.006 2.532 1.00 70.41 N ATOM 0 H LYS A 50 9.400 6.452 4.873 1.00 44.42 H new ATOM 0 HA LYS A 50 7.900 7.510 7.086 1.00 62.00 H new ATOM 0 HB2 LYS A 50 7.417 7.977 4.128 1.00 2.33 H new ATOM 0 HB3 LYS A 50 7.046 9.050 5.463 1.00 2.33 H new ATOM 0 HG2 LYS A 50 9.278 9.711 5.739 1.00 32.23 H new ATOM 0 HG3 LYS A 50 9.913 8.272 4.966 1.00 32.23 H new ATOM 0 HD2 LYS A 50 10.211 9.741 3.224 1.00 10.13 H new ATOM 0 HD3 LYS A 50 8.571 9.243 2.855 1.00 10.13 H new ATOM 0 HE2 LYS A 50 7.639 11.211 3.909 1.00 44.02 H new ATOM 0 HE3 LYS A 50 9.183 11.644 4.615 1.00 44.02 H new ATOM 0 HZ1 LYS A 50 8.705 12.981 2.668 1.00 70.41 H new ATOM 0 HZ2 LYS A 50 10.070 12.012 2.385 1.00 70.41 H new ATOM 0 HZ3 LYS A 50 8.574 11.592 1.700 1.00 70.41 H new ATOM 841 N THR A 51 5.435 6.884 6.447 1.00 3.12 N ATOM 842 CA THR A 51 4.144 6.211 6.399 1.00 24.41 C ATOM 843 C THR A 51 3.012 7.207 6.173 1.00 70.23 C ATOM 844 O THR A 51 3.152 8.395 6.459 1.00 35.11 O ATOM 845 CB THR A 51 3.869 5.426 7.696 1.00 12.22 C ATOM 846 OG1 THR A 51 5.102 5.156 8.374 1.00 21.45 O ATOM 847 CG2 THR A 51 3.152 4.119 7.396 1.00 61.22 C ATOM 0 H THR A 51 5.415 7.803 6.889 1.00 3.12 H new ATOM 0 HA THR A 51 4.184 5.513 5.562 1.00 24.41 H new ATOM 0 HB THR A 51 3.228 6.034 8.335 1.00 12.22 H new ATOM 0 HG1 THR A 51 4.920 4.658 9.198 1.00 21.45 H new ATOM 0 HG21 THR A 51 2.969 3.583 8.327 1.00 61.22 H new ATOM 0 HG22 THR A 51 2.202 4.330 6.905 1.00 61.22 H new ATOM 0 HG23 THR A 51 3.771 3.507 6.740 1.00 61.22 H new ATOM 855 N GLY A 52 1.890 6.715 5.656 1.00 15.51 N ATOM 856 CA GLY A 52 0.751 7.577 5.401 1.00 4.14 C ATOM 857 C GLY A 52 -0.468 6.805 4.937 1.00 22.45 C ATOM 858 O GLY A 52 -0.354 5.668 4.477 1.00 52.32 O ATOM 0 H GLY A 52 1.750 5.735 5.409 1.00 15.51 H new ATOM 0 HA2 GLY A 52 0.505 8.127 6.309 1.00 4.14 H new ATOM 0 HA3 GLY A 52 1.020 8.315 4.645 1.00 4.14 H new ATOM 862 N PHE A 53 -1.639 7.421 5.058 1.00 30.13 N ATOM 863 CA PHE A 53 -2.885 6.782 4.649 1.00 60.23 C ATOM 864 C PHE A 53 -3.166 7.035 3.171 1.00 2.22 C ATOM 865 O PHE A 53 -2.918 8.127 2.657 1.00 4.45 O ATOM 866 CB PHE A 53 -4.050 7.299 5.496 1.00 10.20 C ATOM 867 CG PHE A 53 -4.308 6.476 6.726 1.00 50.22 C ATOM 868 CD1 PHE A 53 -4.906 5.230 6.629 1.00 1.43 C ATOM 869 CD2 PHE A 53 -3.952 6.948 7.979 1.00 72.14 C ATOM 870 CE1 PHE A 53 -5.145 4.471 7.759 1.00 5.22 C ATOM 871 CE2 PHE A 53 -4.188 6.193 9.113 1.00 75.33 C ATOM 872 CZ PHE A 53 -4.784 4.952 9.002 1.00 53.02 C ATOM 0 H PHE A 53 -1.752 8.362 5.436 1.00 30.13 H new ATOM 0 HA PHE A 53 -2.781 5.708 4.803 1.00 60.23 H new ATOM 0 HB2 PHE A 53 -3.845 8.327 5.793 1.00 10.20 H new ATOM 0 HB3 PHE A 53 -4.953 7.318 4.885 1.00 10.20 H new ATOM 0 HD1 PHE A 53 -5.189 4.847 5.659 1.00 1.43 H new ATOM 0 HD2 PHE A 53 -3.485 7.917 8.071 1.00 72.14 H new ATOM 0 HE1 PHE A 53 -5.614 3.502 7.670 1.00 5.22 H new ATOM 0 HE2 PHE A 53 -3.907 6.573 10.084 1.00 75.33 H new ATOM 0 HZ PHE A 53 -4.967 4.359 9.886 1.00 53.02 H new ATOM 882 N VAL A 54 -3.684 6.018 2.491 1.00 20.54 N ATOM 883 CA VAL A 54 -4.000 6.127 1.071 1.00 35.32 C ATOM 884 C VAL A 54 -5.155 5.207 0.692 1.00 33.55 C ATOM 885 O VAL A 54 -5.368 4.155 1.296 1.00 42.51 O ATOM 886 CB VAL A 54 -2.779 5.788 0.197 1.00 50.11 C ATOM 887 CG1 VAL A 54 -1.624 6.729 0.505 1.00 20.21 C ATOM 888 CG2 VAL A 54 -2.365 4.339 0.400 1.00 12.31 C ATOM 0 H VAL A 54 -3.894 5.108 2.900 1.00 20.54 H new ATOM 0 HA VAL A 54 -4.290 7.162 0.890 1.00 35.32 H new ATOM 0 HB VAL A 54 -3.055 5.920 -0.849 1.00 50.11 H new ATOM 0 HG11 VAL A 54 -0.770 6.474 -0.122 1.00 20.21 H new ATOM 0 HG12 VAL A 54 -1.928 7.756 0.304 1.00 20.21 H new ATOM 0 HG13 VAL A 54 -1.345 6.632 1.554 1.00 20.21 H new ATOM 0 HG21 VAL A 54 -1.500 4.117 -0.225 1.00 12.31 H new ATOM 0 HG22 VAL A 54 -2.107 4.178 1.447 1.00 12.31 H new ATOM 0 HG23 VAL A 54 -3.191 3.683 0.125 1.00 12.31 H new ATOM 898 N PRO A 55 -5.921 5.609 -0.333 1.00 52.04 N ATOM 899 CA PRO A 55 -7.067 4.835 -0.817 1.00 4.53 C ATOM 900 C PRO A 55 -6.643 3.546 -1.513 1.00 54.52 C ATOM 901 O PRO A 55 -5.889 3.574 -2.486 1.00 21.32 O ATOM 902 CB PRO A 55 -7.741 5.783 -1.812 1.00 24.54 C ATOM 903 CG PRO A 55 -6.651 6.687 -2.273 1.00 41.41 C ATOM 904 CD PRO A 55 -5.726 6.852 -1.098 1.00 53.24 C ATOM 0 HA PRO A 55 -7.718 4.518 -0.002 1.00 4.53 H new ATOM 0 HB2 PRO A 55 -8.180 5.235 -2.646 1.00 24.54 H new ATOM 0 HB3 PRO A 55 -8.547 6.344 -1.340 1.00 24.54 H new ATOM 0 HG2 PRO A 55 -6.125 6.260 -3.127 1.00 41.41 H new ATOM 0 HG3 PRO A 55 -7.051 7.649 -2.593 1.00 41.41 H new ATOM 0 HD2 PRO A 55 -4.690 6.970 -1.416 1.00 53.24 H new ATOM 0 HD3 PRO A 55 -5.980 7.732 -0.507 1.00 53.24 H new ATOM 912 N SER A 56 -7.131 2.418 -1.007 1.00 21.52 N ATOM 913 CA SER A 56 -6.799 1.118 -1.579 1.00 30.20 C ATOM 914 C SER A 56 -7.116 1.083 -3.071 1.00 63.22 C ATOM 915 O SER A 56 -6.668 0.193 -3.791 1.00 21.13 O ATOM 916 CB SER A 56 -7.569 0.009 -0.858 1.00 14.25 C ATOM 917 OG SER A 56 -8.968 0.185 -0.997 1.00 51.41 O ATOM 0 H SER A 56 -7.757 2.378 -0.203 1.00 21.52 H new ATOM 0 HA SER A 56 -5.729 0.954 -1.448 1.00 30.20 H new ATOM 0 HB2 SER A 56 -7.280 -0.961 -1.263 1.00 14.25 H new ATOM 0 HB3 SER A 56 -7.303 0.006 0.199 1.00 14.25 H new ATOM 0 HG SER A 56 -9.437 -0.537 -0.529 1.00 51.41 H new ATOM 923 N ASN A 57 -7.891 2.061 -3.527 1.00 72.54 N ATOM 924 CA ASN A 57 -8.269 2.144 -4.934 1.00 31.10 C ATOM 925 C ASN A 57 -7.057 2.460 -5.805 1.00 2.03 C ATOM 926 O ASN A 57 -7.119 2.367 -7.031 1.00 43.13 O ATOM 927 CB ASN A 57 -9.346 3.213 -5.132 1.00 4.14 C ATOM 928 CG ASN A 57 -10.255 2.905 -6.306 1.00 60.42 C ATOM 929 OD1 ASN A 57 -10.403 1.750 -6.705 1.00 73.05 O ATOM 930 ND2 ASN A 57 -10.871 3.942 -6.864 1.00 32.32 N ATOM 0 H ASN A 57 -8.270 2.807 -2.944 1.00 72.54 H new ATOM 0 HA ASN A 57 -8.668 1.175 -5.235 1.00 31.10 H new ATOM 0 HB2 ASN A 57 -9.944 3.295 -4.224 1.00 4.14 H new ATOM 0 HB3 ASN A 57 -8.870 4.181 -5.289 1.00 4.14 H new ATOM 0 HD21 ASN A 57 -11.497 3.798 -7.657 1.00 32.32 H new ATOM 0 HD22 ASN A 57 -10.718 4.882 -6.500 1.00 32.32 H new ATOM 937 N TYR A 58 -5.955 2.833 -5.163 1.00 12.44 N ATOM 938 CA TYR A 58 -4.729 3.164 -5.879 1.00 12.22 C ATOM 939 C TYR A 58 -3.677 2.074 -5.692 1.00 32.12 C ATOM 940 O TYR A 58 -2.768 1.925 -6.508 1.00 33.01 O ATOM 941 CB TYR A 58 -4.179 4.507 -5.395 1.00 45.14 C ATOM 942 CG TYR A 58 -4.901 5.701 -5.976 1.00 45.44 C ATOM 943 CD1 TYR A 58 -6.239 5.938 -5.687 1.00 14.45 C ATOM 944 CD2 TYR A 58 -4.245 6.594 -6.815 1.00 11.22 C ATOM 945 CE1 TYR A 58 -6.903 7.027 -6.216 1.00 35.01 C ATOM 946 CE2 TYR A 58 -4.901 7.688 -7.347 1.00 2.11 C ATOM 947 CZ TYR A 58 -6.229 7.899 -7.045 1.00 61.23 C ATOM 948 OH TYR A 58 -6.887 8.987 -7.573 1.00 45.11 O ATOM 0 H TYR A 58 -5.886 2.914 -4.149 1.00 12.44 H new ATOM 0 HA TYR A 58 -4.966 3.236 -6.940 1.00 12.22 H new ATOM 0 HB2 TYR A 58 -4.245 4.547 -4.308 1.00 45.14 H new ATOM 0 HB3 TYR A 58 -3.122 4.571 -5.653 1.00 45.14 H new ATOM 0 HD1 TYR A 58 -6.769 5.258 -5.037 1.00 14.45 H new ATOM 0 HD2 TYR A 58 -3.205 6.430 -7.055 1.00 11.22 H new ATOM 0 HE1 TYR A 58 -7.944 7.195 -5.982 1.00 35.01 H new ATOM 0 HE2 TYR A 58 -4.376 8.374 -7.996 1.00 2.11 H new ATOM 0 HH TYR A 58 -6.270 9.501 -8.135 1.00 45.11 H new ATOM 958 N VAL A 59 -3.809 1.313 -4.610 1.00 31.35 N ATOM 959 CA VAL A 59 -2.874 0.235 -4.314 1.00 53.43 C ATOM 960 C VAL A 59 -3.562 -1.124 -4.378 1.00 31.32 C ATOM 961 O VAL A 59 -4.778 -1.206 -4.545 1.00 11.12 O ATOM 962 CB VAL A 59 -2.236 0.410 -2.923 1.00 55.44 C ATOM 963 CG1 VAL A 59 -1.608 1.790 -2.793 1.00 23.14 C ATOM 964 CG2 VAL A 59 -3.270 0.182 -1.831 1.00 32.50 C ATOM 0 H VAL A 59 -4.555 1.424 -3.924 1.00 31.35 H new ATOM 0 HA VAL A 59 -2.092 0.279 -5.072 1.00 53.43 H new ATOM 0 HB VAL A 59 -1.448 -0.334 -2.808 1.00 55.44 H new ATOM 0 HG11 VAL A 59 -1.162 1.895 -1.804 1.00 23.14 H new ATOM 0 HG12 VAL A 59 -0.837 1.912 -3.553 1.00 23.14 H new ATOM 0 HG13 VAL A 59 -2.375 2.553 -2.929 1.00 23.14 H new ATOM 0 HG21 VAL A 59 -2.802 0.310 -0.855 1.00 32.50 H new ATOM 0 HG22 VAL A 59 -4.081 0.902 -1.942 1.00 32.50 H new ATOM 0 HG23 VAL A 59 -3.669 -0.829 -1.913 1.00 32.50 H new ATOM 974 N GLU A 60 -2.775 -2.187 -4.243 1.00 51.04 N ATOM 975 CA GLU A 60 -3.310 -3.543 -4.285 1.00 64.44 C ATOM 976 C GLU A 60 -2.306 -4.542 -3.719 1.00 45.14 C ATOM 977 O GLU A 60 -1.126 -4.518 -4.070 1.00 21.13 O ATOM 978 CB GLU A 60 -3.674 -3.926 -5.721 1.00 4.50 C ATOM 979 CG GLU A 60 -4.957 -4.734 -5.830 1.00 52.33 C ATOM 980 CD GLU A 60 -4.803 -5.958 -6.710 1.00 3.45 C ATOM 981 OE1 GLU A 60 -5.413 -5.987 -7.799 1.00 11.02 O ATOM 982 OE2 GLU A 60 -4.072 -6.890 -6.309 1.00 65.42 O ATOM 0 H GLU A 60 -1.766 -2.135 -4.104 1.00 51.04 H new ATOM 0 HA GLU A 60 -4.209 -3.571 -3.670 1.00 64.44 H new ATOM 0 HB2 GLU A 60 -3.775 -3.018 -6.316 1.00 4.50 H new ATOM 0 HB3 GLU A 60 -2.855 -4.501 -6.153 1.00 4.50 H new ATOM 0 HG2 GLU A 60 -5.272 -5.045 -4.834 1.00 52.33 H new ATOM 0 HG3 GLU A 60 -5.748 -4.100 -6.231 1.00 52.33 H new ATOM 990 N ARG A 61 -2.783 -5.419 -2.842 1.00 54.12 N ATOM 991 CA ARG A 61 -1.927 -6.425 -2.226 1.00 32.44 C ATOM 992 C ARG A 61 -1.371 -7.383 -3.276 1.00 14.33 C ATOM 993 O ARG A 61 -2.057 -7.736 -4.234 1.00 4.22 O ATOM 994 CB ARG A 61 -2.705 -7.208 -1.167 1.00 35.53 C ATOM 995 CG ARG A 61 -3.859 -8.019 -1.734 1.00 1.43 C ATOM 996 CD ARG A 61 -4.723 -8.607 -0.630 1.00 24.30 C ATOM 997 NE ARG A 61 -6.007 -7.919 -0.516 1.00 30.01 N ATOM 998 CZ ARG A 61 -6.898 -8.180 0.434 1.00 32.25 C ATOM 999 NH1 ARG A 61 -6.646 -9.108 1.348 1.00 53.02 N ATOM 1000 NH2 ARG A 61 -8.044 -7.512 0.472 1.00 32.43 N ATOM 0 H ARG A 61 -3.757 -5.453 -2.542 1.00 54.12 H new ATOM 0 HA ARG A 61 -1.092 -5.912 -1.749 1.00 32.44 H new ATOM 0 HB2 ARG A 61 -2.021 -7.879 -0.648 1.00 35.53 H new ATOM 0 HB3 ARG A 61 -3.092 -6.511 -0.424 1.00 35.53 H new ATOM 0 HG2 ARG A 61 -4.470 -7.385 -2.376 1.00 1.43 H new ATOM 0 HG3 ARG A 61 -3.468 -8.822 -2.358 1.00 1.43 H new ATOM 0 HD2 ARG A 61 -4.895 -9.665 -0.828 1.00 24.30 H new ATOM 0 HD3 ARG A 61 -4.192 -8.543 0.320 1.00 24.30 H new ATOM 0 HE ARG A 61 -6.231 -7.199 -1.203 1.00 30.01 H new ATOM 0 HH11 ARG A 61 -5.766 -9.623 1.322 1.00 53.02 H new ATOM 0 HH12 ARG A 61 -7.332 -9.306 2.076 1.00 53.02 H new ATOM 0 HH21 ARG A 61 -8.241 -6.797 -0.229 1.00 32.43 H new ATOM 0 HH22 ARG A 61 -8.728 -7.713 1.202 1.00 32.43 H new ATOM 1014 N LYS A 62 -0.123 -7.800 -3.087 1.00 33.42 N ATOM 1015 CA LYS A 62 0.526 -8.718 -4.015 1.00 60.05 C ATOM 1016 C LYS A 62 -0.316 -9.974 -4.217 1.00 13.41 C ATOM 1017 O LYS A 62 -1.236 -10.244 -3.448 1.00 33.34 O ATOM 1018 CB LYS A 62 1.916 -9.099 -3.500 1.00 60.32 C ATOM 1019 CG LYS A 62 3.017 -8.917 -4.531 1.00 74.10 C ATOM 1020 CD LYS A 62 4.092 -9.981 -4.391 1.00 51.40 C ATOM 1021 CE LYS A 62 5.482 -9.366 -4.342 1.00 12.14 C ATOM 1022 NZ LYS A 62 6.522 -10.305 -4.844 1.00 11.52 N ATOM 0 H LYS A 62 0.459 -7.516 -2.299 1.00 33.42 H new ATOM 0 HA LYS A 62 0.628 -8.212 -4.975 1.00 60.05 H new ATOM 0 HB2 LYS A 62 2.148 -8.495 -2.623 1.00 60.32 H new ATOM 0 HB3 LYS A 62 1.902 -10.140 -3.176 1.00 60.32 H new ATOM 0 HG2 LYS A 62 2.590 -8.960 -5.533 1.00 74.10 H new ATOM 0 HG3 LYS A 62 3.464 -7.929 -4.417 1.00 74.10 H new ATOM 0 HD2 LYS A 62 3.917 -10.560 -3.484 1.00 51.40 H new ATOM 0 HD3 LYS A 62 4.030 -10.675 -5.229 1.00 51.40 H new ATOM 0 HE2 LYS A 62 5.497 -8.454 -4.939 1.00 12.14 H new ATOM 0 HE3 LYS A 62 5.716 -9.079 -3.317 1.00 12.14 H new ATOM 0 HZ1 LYS A 62 7.455 -9.848 -4.794 1.00 11.52 H new ATOM 0 HZ2 LYS A 62 6.525 -11.164 -4.258 1.00 11.52 H new ATOM 0 HZ3 LYS A 62 6.313 -10.559 -5.831 1.00 11.52 H new ATOM 1036 N ASN A 63 0.009 -10.738 -5.255 1.00 74.43 N ATOM 1037 CA ASN A 63 -0.717 -11.966 -5.556 1.00 11.31 C ATOM 1038 C ASN A 63 -0.017 -12.755 -6.660 1.00 74.32 C ATOM 1039 O ASN A 63 -0.668 -13.348 -7.520 1.00 32.14 O ATOM 1040 CB ASN A 63 -2.153 -11.646 -5.974 1.00 60.35 C ATOM 1041 CG ASN A 63 -3.159 -12.609 -5.376 1.00 53.32 C ATOM 1042 OD1 ASN A 63 -3.822 -13.357 -6.094 1.00 34.21 O ATOM 1043 ND2 ASN A 63 -3.276 -12.596 -4.053 1.00 73.13 N ATOM 0 H ASN A 63 0.770 -10.528 -5.901 1.00 74.43 H new ATOM 0 HA ASN A 63 -0.737 -12.577 -4.654 1.00 11.31 H new ATOM 0 HB2 ASN A 63 -2.400 -10.630 -5.666 1.00 60.35 H new ATOM 0 HB3 ASN A 63 -2.227 -11.677 -7.061 1.00 60.35 H new ATOM 0 HD21 ASN A 63 -3.936 -13.223 -3.593 1.00 73.13 H new ATOM 0 HD22 ASN A 63 -2.706 -11.959 -3.497 1.00 73.13 H new ATOM 1050 N SER A 64 1.312 -12.756 -6.628 1.00 34.42 N ATOM 1051 CA SER A 64 2.100 -13.468 -7.626 1.00 31.25 C ATOM 1052 C SER A 64 2.050 -14.973 -7.384 1.00 11.42 C ATOM 1053 O SER A 64 2.932 -15.538 -6.737 1.00 61.13 O ATOM 1054 CB SER A 64 3.550 -12.983 -7.603 1.00 73.11 C ATOM 1055 OG SER A 64 3.621 -11.578 -7.773 1.00 43.04 O ATOM 0 H SER A 64 1.865 -12.271 -5.921 1.00 34.42 H new ATOM 0 HA SER A 64 1.672 -13.261 -8.607 1.00 31.25 H new ATOM 0 HB2 SER A 64 4.015 -13.262 -6.657 1.00 73.11 H new ATOM 0 HB3 SER A 64 4.115 -13.477 -8.394 1.00 73.11 H new ATOM 0 HG SER A 64 4.558 -11.293 -7.753 1.00 43.04 H new ATOM 1061 N ALA A 65 1.013 -15.618 -7.908 1.00 25.21 N ATOM 1062 CA ALA A 65 0.849 -17.057 -7.752 1.00 32.15 C ATOM 1063 C ALA A 65 1.538 -17.815 -8.883 1.00 55.22 C ATOM 1064 O ALA A 65 0.886 -18.288 -9.813 1.00 74.54 O ATOM 1065 CB ALA A 65 -0.628 -17.418 -7.696 1.00 73.12 C ATOM 0 H ALA A 65 0.273 -15.165 -8.445 1.00 25.21 H new ATOM 0 HA ALA A 65 1.319 -17.351 -6.814 1.00 32.15 H new ATOM 0 HB1 ALA A 65 -0.735 -18.496 -7.579 1.00 73.12 H new ATOM 0 HB2 ALA A 65 -1.094 -16.914 -6.850 1.00 73.12 H new ATOM 0 HB3 ALA A 65 -1.115 -17.103 -8.619 1.00 73.12 H new ATOM 1071 N ARG A 66 2.859 -17.925 -8.795 1.00 42.32 N ATOM 1072 CA ARG A 66 3.636 -18.623 -9.812 1.00 63.44 C ATOM 1073 C ARG A 66 3.537 -17.909 -11.158 1.00 33.42 C ATOM 1074 O ARG A 66 2.448 -17.750 -11.708 1.00 62.12 O ATOM 1075 CB ARG A 66 3.152 -20.067 -9.953 1.00 21.11 C ATOM 1076 CG ARG A 66 3.955 -21.062 -9.131 1.00 31.53 C ATOM 1077 CD ARG A 66 3.529 -22.493 -9.417 1.00 12.34 C ATOM 1078 NE ARG A 66 2.769 -23.070 -8.310 1.00 1.22 N ATOM 1079 CZ ARG A 66 1.458 -22.915 -8.160 1.00 51.50 C ATOM 1080 NH1 ARG A 66 0.766 -22.207 -9.041 1.00 71.42 N ATOM 1081 NH2 ARG A 66 0.838 -23.471 -7.127 1.00 23.52 N ATOM 0 H ARG A 66 3.414 -17.540 -8.030 1.00 42.32 H new ATOM 0 HA ARG A 66 4.679 -18.626 -9.497 1.00 63.44 H new ATOM 0 HB2 ARG A 66 2.106 -20.121 -9.653 1.00 21.11 H new ATOM 0 HB3 ARG A 66 3.198 -20.356 -11.003 1.00 21.11 H new ATOM 0 HG2 ARG A 66 5.016 -20.946 -9.352 1.00 31.53 H new ATOM 0 HG3 ARG A 66 3.825 -20.848 -8.070 1.00 31.53 H new ATOM 0 HD2 ARG A 66 2.924 -22.517 -10.323 1.00 12.34 H new ATOM 0 HD3 ARG A 66 4.412 -23.103 -9.607 1.00 12.34 H new ATOM 0 HE ARG A 66 3.272 -23.621 -7.615 1.00 1.22 H new ATOM 0 HH11 ARG A 66 1.240 -21.779 -9.837 1.00 71.42 H new ATOM 0 HH12 ARG A 66 -0.240 -22.090 -8.923 1.00 71.42 H new ATOM 0 HH21 ARG A 66 1.368 -24.017 -6.448 1.00 23.52 H new ATOM 0 HH22 ARG A 66 -0.168 -23.352 -7.012 1.00 23.52 H new ATOM 1095 N ALA A 67 4.681 -17.481 -11.680 1.00 1.43 N ATOM 1096 CA ALA A 67 4.724 -16.786 -12.961 1.00 74.34 C ATOM 1097 C ALA A 67 4.000 -17.581 -14.042 1.00 5.43 C ATOM 1098 O ALA A 67 3.156 -17.047 -14.759 1.00 33.32 O ATOM 1099 CB ALA A 67 6.165 -16.523 -13.371 1.00 22.43 C ATOM 0 H ALA A 67 5.591 -17.603 -11.236 1.00 1.43 H new ATOM 0 HA ALA A 67 4.211 -15.831 -12.845 1.00 74.34 H new ATOM 0 HB1 ALA A 67 6.182 -16.004 -14.329 1.00 22.43 H new ATOM 0 HB2 ALA A 67 6.651 -15.906 -12.615 1.00 22.43 H new ATOM 0 HB3 ALA A 67 6.696 -17.471 -13.463 1.00 22.43 H new ATOM 1105 N ALA A 68 4.338 -18.862 -14.154 1.00 12.30 N ATOM 1106 CA ALA A 68 3.719 -19.732 -15.146 1.00 42.32 C ATOM 1107 C ALA A 68 2.392 -20.287 -14.639 1.00 42.43 C ATOM 1108 O ALA A 68 2.036 -21.429 -14.927 1.00 44.42 O ATOM 1109 CB ALA A 68 4.663 -20.868 -15.514 1.00 41.21 C ATOM 0 H ALA A 68 5.037 -19.320 -13.569 1.00 12.30 H new ATOM 0 HA ALA A 68 3.517 -19.139 -16.038 1.00 42.32 H new ATOM 0 HB1 ALA A 68 4.188 -21.510 -16.256 1.00 41.21 H new ATOM 0 HB2 ALA A 68 5.584 -20.456 -15.927 1.00 41.21 H new ATOM 0 HB3 ALA A 68 4.894 -21.452 -14.623 1.00 41.21 H new ATOM 1115 N ALA A 69 1.666 -19.471 -13.883 1.00 3.13 N ATOM 1116 CA ALA A 69 0.378 -19.881 -13.338 1.00 52.14 C ATOM 1117 C ALA A 69 -0.468 -20.581 -14.395 1.00 22.14 C ATOM 1118 O ALA A 69 -1.026 -21.650 -14.148 1.00 62.22 O ATOM 1119 CB ALA A 69 -0.365 -18.676 -12.778 1.00 74.02 C ATOM 0 H ALA A 69 1.947 -18.523 -13.634 1.00 3.13 H new ATOM 0 HA ALA A 69 0.562 -20.589 -12.530 1.00 52.14 H new ATOM 0 HB1 ALA A 69 -1.325 -18.996 -12.374 1.00 74.02 H new ATOM 0 HB2 ALA A 69 0.228 -18.219 -11.986 1.00 74.02 H new ATOM 0 HB3 ALA A 69 -0.530 -17.949 -13.573 1.00 74.02 H new ATOM 1125 N ASN A 70 -0.559 -19.973 -15.573 1.00 73.43 N ATOM 1126 CA ASN A 70 -1.339 -20.539 -16.667 1.00 72.43 C ATOM 1127 C ASN A 70 -0.428 -21.020 -17.793 1.00 51.22 C ATOM 1128 O ASN A 70 0.792 -20.862 -17.728 1.00 33.53 O ATOM 1129 CB ASN A 70 -2.330 -19.503 -17.205 1.00 4.32 C ATOM 1130 CG ASN A 70 -2.925 -18.647 -16.104 1.00 64.02 C ATOM 1131 OD1 ASN A 70 -4.011 -18.932 -15.600 1.00 52.22 O ATOM 1132 ND2 ASN A 70 -2.213 -17.591 -15.727 1.00 21.22 N ATOM 0 H ASN A 70 -0.102 -19.088 -15.794 1.00 73.43 H new ATOM 0 HA ASN A 70 -1.892 -21.395 -16.280 1.00 72.43 H new ATOM 0 HB2 ASN A 70 -1.825 -18.862 -17.927 1.00 4.32 H new ATOM 0 HB3 ASN A 70 -3.132 -20.014 -17.738 1.00 4.32 H new ATOM 0 HD21 ASN A 70 -2.562 -16.977 -14.991 1.00 21.22 H new ATOM 0 HD22 ASN A 70 -1.317 -17.394 -16.174 1.00 21.22 H new ATOM 1139 N SER A 71 -1.028 -21.606 -18.823 1.00 20.14 N ATOM 1140 CA SER A 71 -0.271 -22.112 -19.962 1.00 22.12 C ATOM 1141 C SER A 71 0.173 -20.971 -20.871 1.00 41.34 C ATOM 1142 O SER A 71 -0.454 -20.698 -21.895 1.00 54.23 O ATOM 1143 CB SER A 71 -1.112 -23.114 -20.756 1.00 11.33 C ATOM 1144 OG SER A 71 -1.051 -24.405 -20.175 1.00 32.11 O ATOM 0 H SER A 71 -2.036 -21.742 -18.893 1.00 20.14 H new ATOM 0 HA SER A 71 0.617 -22.615 -19.581 1.00 22.12 H new ATOM 0 HB2 SER A 71 -2.148 -22.776 -20.792 1.00 11.33 H new ATOM 0 HB3 SER A 71 -0.755 -23.158 -21.785 1.00 11.33 H new ATOM 0 HG SER A 71 -1.598 -25.026 -20.700 1.00 32.11 H new ATOM 1150 N SER A 72 1.259 -20.306 -20.488 1.00 62.40 N ATOM 1151 CA SER A 72 1.785 -19.191 -21.266 1.00 61.24 C ATOM 1152 C SER A 72 0.652 -18.355 -21.855 1.00 20.33 C ATOM 1153 O SER A 72 0.863 -17.566 -22.774 1.00 71.23 O ATOM 1154 CB SER A 72 2.691 -19.705 -22.386 1.00 43.11 C ATOM 1155 OG SER A 72 3.720 -18.775 -22.677 1.00 4.52 O ATOM 0 H SER A 72 1.791 -20.520 -19.644 1.00 62.40 H new ATOM 0 HA SER A 72 2.369 -18.558 -20.598 1.00 61.24 H new ATOM 0 HB2 SER A 72 3.130 -20.659 -22.094 1.00 43.11 H new ATOM 0 HB3 SER A 72 2.098 -19.889 -23.282 1.00 43.11 H new ATOM 0 HG SER A 72 4.286 -19.128 -23.395 1.00 4.52 H new TER 1161 SER A 72