USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 562 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 Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0238 X(o=-0.024,f=0.15) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00199 USER MOD Single : A 15 LYS NZ :NH3+ 163:sc= 1.23 (180deg=0.92) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.0712 K(o=-0.071,f=-0.8) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 MET CE :methyl -119:sc=-0.00604 (180deg=-0.0288) USER MOD Single : A 36 GLN : amide:sc= -0.0709 K(o=-0.071,f=-1.1) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.222 K(o=-0.22,f=-4.4!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00857 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 103:sc= 1.3 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 87:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 40 N ALA A 3 11.406 5.146 3.839 1.00 0.00 N ATOM 41 CA ALA A 3 10.419 4.568 4.724 1.00 0.00 C ATOM 42 C ALA A 3 10.635 5.137 6.120 1.00 0.00 C ATOM 43 O ALA A 3 9.844 5.944 6.591 1.00 0.00 O ATOM 44 CB ALA A 3 10.537 3.045 4.693 1.00 0.00 C ATOM 0 HA ALA A 3 9.407 4.819 4.405 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.793 2.609 5.360 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.368 2.688 3.677 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.534 2.751 5.020 1.00 0.00 H new ATOM 50 N SER A 4 11.678 4.646 6.787 1.00 0.00 N ATOM 51 CA SER A 4 11.795 4.451 8.222 1.00 0.00 C ATOM 52 C SER A 4 10.764 3.448 8.701 1.00 0.00 C ATOM 53 O SER A 4 11.120 2.360 9.146 1.00 0.00 O ATOM 54 CB SER A 4 11.771 5.770 9.004 1.00 0.00 C ATOM 55 OG SER A 4 12.812 6.617 8.544 1.00 0.00 O ATOM 0 H SER A 4 12.524 4.354 6.297 1.00 0.00 H new ATOM 0 HA SER A 4 12.779 4.029 8.427 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.806 6.262 8.878 1.00 0.00 H new ATOM 0 HB3 SER A 4 11.892 5.575 10.070 1.00 0.00 H new ATOM 0 HG SER A 4 12.793 7.460 9.044 1.00 0.00 H new ATOM 61 N GLU A 5 9.498 3.770 8.505 1.00 0.00 N ATOM 62 CA GLU A 5 8.385 3.071 9.153 1.00 0.00 C ATOM 63 C GLU A 5 8.188 1.698 8.508 1.00 0.00 C ATOM 64 O GLU A 5 8.127 0.661 9.156 1.00 0.00 O ATOM 65 CB GLU A 5 7.120 3.955 9.140 1.00 0.00 C ATOM 66 CG GLU A 5 6.682 4.485 7.764 1.00 0.00 C ATOM 67 CD GLU A 5 5.552 5.508 7.882 1.00 0.00 C ATOM 68 OE1 GLU A 5 5.831 6.721 8.017 1.00 0.00 O ATOM 69 OE2 GLU A 5 4.361 5.126 7.800 1.00 0.00 O ATOM 0 H GLU A 5 9.203 4.528 7.889 1.00 0.00 H new ATOM 0 HA GLU A 5 8.612 2.888 10.203 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.296 3.382 9.566 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.289 4.807 9.798 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.535 4.942 7.262 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.355 3.652 7.141 1.00 0.00 H new ATOM 76 N LEU A 6 8.185 1.682 7.185 1.00 0.00 N ATOM 77 CA LEU A 6 7.963 0.489 6.369 1.00 0.00 C ATOM 78 C LEU A 6 9.228 -0.351 6.231 1.00 0.00 C ATOM 79 O LEU A 6 9.217 -1.448 5.692 1.00 0.00 O ATOM 80 CB LEU A 6 7.541 0.977 4.976 1.00 0.00 C ATOM 81 CG LEU A 6 6.074 1.412 4.864 1.00 0.00 C ATOM 82 CD1 LEU A 6 5.847 2.245 3.596 1.00 0.00 C ATOM 83 CD2 LEU A 6 5.147 0.203 4.865 1.00 0.00 C ATOM 0 H LEU A 6 8.341 2.522 6.628 1.00 0.00 H new ATOM 0 HA LEU A 6 7.205 -0.136 6.841 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.177 1.816 4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.725 0.180 4.256 1.00 0.00 H new ATOM 0 HG LEU A 6 5.843 2.028 5.733 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.800 2.542 3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.475 3.135 3.628 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.104 1.651 2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.113 0.537 4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.387 -0.440 4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.277 -0.354 5.793 1.00 0.00 H new ATOM 95 N ARG A 7 10.365 0.171 6.660 1.00 0.00 N ATOM 96 CA ARG A 7 11.558 -0.594 6.876 1.00 0.00 C ATOM 97 C ARG A 7 11.700 -0.971 8.365 1.00 0.00 C ATOM 98 O ARG A 7 12.672 -1.634 8.733 1.00 0.00 O ATOM 99 CB ARG A 7 12.696 0.288 6.354 1.00 0.00 C ATOM 100 CG ARG A 7 13.964 -0.527 6.188 1.00 0.00 C ATOM 101 CD ARG A 7 14.999 -0.275 7.289 1.00 0.00 C ATOM 102 NE ARG A 7 15.619 -1.534 7.708 1.00 0.00 N ATOM 103 CZ ARG A 7 16.763 -1.686 8.369 1.00 0.00 C ATOM 104 NH1 ARG A 7 17.486 -0.632 8.742 1.00 0.00 N ATOM 105 NH2 ARG A 7 17.170 -2.911 8.651 1.00 0.00 N ATOM 0 H ARG A 7 10.475 1.163 6.870 1.00 0.00 H new ATOM 0 HA ARG A 7 11.555 -1.550 6.352 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.413 0.730 5.399 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.873 1.111 7.046 1.00 0.00 H new ATOM 0 HG2 ARG A 7 13.707 -1.586 6.177 1.00 0.00 H new ATOM 0 HG3 ARG A 7 14.411 -0.297 5.221 1.00 0.00 H new ATOM 0 HD2 ARG A 7 15.764 0.411 6.927 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.521 0.204 8.143 1.00 0.00 H new ATOM 0 HE ARG A 7 15.118 -2.389 7.466 1.00 0.00 H new ATOM 0 HH11 ARG A 7 17.165 0.311 8.521 1.00 0.00 H new ATOM 0 HH12 ARG A 7 18.361 -0.767 9.248 1.00 0.00 H new ATOM 0 HH21 ARG A 7 16.610 -3.713 8.363 1.00 0.00 H new ATOM 0 HH22 ARG A 7 18.044 -3.054 9.157 1.00 0.00 H new ATOM 119 N ASN A 8 10.796 -0.505 9.235 1.00 0.00 N ATOM 120 CA ASN A 8 10.872 -0.788 10.668 1.00 0.00 C ATOM 121 C ASN A 8 10.262 -2.138 10.975 1.00 0.00 C ATOM 122 O ASN A 8 10.794 -2.806 11.865 1.00 0.00 O ATOM 123 CB ASN A 8 10.181 0.260 11.563 1.00 0.00 C ATOM 124 CG ASN A 8 10.264 -0.141 13.034 1.00 0.00 C ATOM 125 OD1 ASN A 8 9.286 -0.548 13.652 1.00 0.00 O ATOM 126 ND2 ASN A 8 11.433 -0.062 13.642 1.00 0.00 N ATOM 0 H ASN A 8 10.000 0.073 8.966 1.00 0.00 H new ATOM 0 HA ASN A 8 11.937 -0.766 10.899 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.651 1.233 11.420 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.137 0.364 11.268 1.00 0.00 H new ATOM 0 HD21 ASN A 8 11.519 -0.339 14.620 1.00 0.00 H new ATOM 0 HD22 ASN A 8 12.250 0.276 13.134 1.00 0.00 H new ATOM 133 N TYR A 9 9.167 -2.520 10.301 1.00 0.00 N ATOM 134 CA TYR A 9 8.503 -3.739 10.653 1.00 0.00 C ATOM 135 C TYR A 9 9.317 -4.938 10.194 1.00 0.00 C ATOM 136 O TYR A 9 10.332 -4.782 9.504 1.00 0.00 O ATOM 137 CB TYR A 9 7.019 -3.678 10.353 1.00 0.00 C ATOM 138 CG TYR A 9 6.318 -2.439 10.858 1.00 0.00 C ATOM 139 CD1 TYR A 9 6.480 -2.032 12.196 1.00 0.00 C ATOM 140 CD2 TYR A 9 5.489 -1.711 9.991 1.00 0.00 C ATOM 141 CE1 TYR A 9 5.833 -0.870 12.657 1.00 0.00 C ATOM 142 CE2 TYR A 9 4.818 -0.573 10.453 1.00 0.00 C ATOM 143 CZ TYR A 9 4.997 -0.137 11.786 1.00 0.00 C ATOM 144 OH TYR A 9 4.349 0.972 12.231 1.00 0.00 O ATOM 0 H TYR A 9 8.746 -2.002 9.530 1.00 0.00 H new ATOM 0 HA TYR A 9 8.474 -3.888 11.732 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.878 -3.743 9.274 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.539 -4.553 10.790 1.00 0.00 H new ATOM 0 HD1 TYR A 9 7.099 -2.610 12.867 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.369 -2.029 8.966 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.976 -0.539 13.675 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.163 -0.027 9.790 1.00 0.00 H new ATOM 0 HH TYR A 9 3.818 1.355 11.502 1.00 0.00 H new ATOM 154 N THR A 10 8.890 -6.123 10.602 1.00 0.00 N ATOM 155 CA THR A 10 9.423 -7.361 10.083 1.00 0.00 C ATOM 156 C THR A 10 8.667 -7.671 8.796 1.00 0.00 C ATOM 157 O THR A 10 7.510 -7.278 8.695 1.00 0.00 O ATOM 158 CB THR A 10 9.248 -8.446 11.152 1.00 0.00 C ATOM 159 OG1 THR A 10 7.880 -8.606 11.481 1.00 0.00 O ATOM 160 CG2 THR A 10 9.976 -8.055 12.446 1.00 0.00 C ATOM 0 H THR A 10 8.161 -6.247 11.305 1.00 0.00 H new ATOM 0 HA THR A 10 10.487 -7.302 9.852 1.00 0.00 H new ATOM 0 HB THR A 10 9.658 -9.369 10.742 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.787 -9.303 12.163 1.00 0.00 H new ATOM 0 HG21 THR A 10 9.839 -8.838 13.191 1.00 0.00 H new ATOM 0 HG22 THR A 10 11.039 -7.930 12.242 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.567 -7.118 12.825 1.00 0.00 H new ATOM 168 N ASP A 11 9.259 -8.361 7.818 1.00 0.00 N ATOM 169 CA ASP A 11 8.618 -8.854 6.596 1.00 0.00 C ATOM 170 C ASP A 11 7.206 -9.349 6.901 1.00 0.00 C ATOM 171 O ASP A 11 6.302 -9.122 6.104 1.00 0.00 O ATOM 172 CB ASP A 11 9.382 -10.034 5.973 1.00 0.00 C ATOM 173 CG ASP A 11 10.644 -9.748 5.159 1.00 0.00 C ATOM 174 OD1 ASP A 11 11.211 -8.637 5.201 1.00 0.00 O ATOM 175 OD2 ASP A 11 11.166 -10.718 4.561 1.00 0.00 O ATOM 0 H ASP A 11 10.249 -8.603 7.859 1.00 0.00 H new ATOM 0 HA ASP A 11 8.607 -8.016 5.899 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.657 -10.712 6.781 1.00 0.00 H new ATOM 0 HB3 ASP A 11 8.688 -10.572 5.327 1.00 0.00 H new ATOM 180 N GLU A 12 7.032 -9.998 8.056 1.00 0.00 N ATOM 181 CA GLU A 12 5.788 -10.557 8.540 1.00 0.00 C ATOM 182 C GLU A 12 4.714 -9.502 8.857 1.00 0.00 C ATOM 183 O GLU A 12 3.527 -9.703 8.615 1.00 0.00 O ATOM 184 CB GLU A 12 6.106 -11.358 9.810 1.00 0.00 C ATOM 185 CG GLU A 12 5.016 -12.374 10.147 1.00 0.00 C ATOM 186 CD GLU A 12 5.253 -13.668 9.380 1.00 0.00 C ATOM 187 OE1 GLU A 12 4.952 -13.702 8.172 1.00 0.00 O ATOM 188 OE2 GLU A 12 5.820 -14.608 9.990 1.00 0.00 O ATOM 0 H GLU A 12 7.803 -10.150 8.706 1.00 0.00 H new ATOM 0 HA GLU A 12 5.371 -11.180 7.749 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.055 -11.878 9.680 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.230 -10.672 10.647 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.012 -12.573 11.219 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.037 -11.966 9.895 1.00 0.00 H new ATOM 195 N GLU A 13 5.108 -8.395 9.471 1.00 0.00 N ATOM 196 CA GLU A 13 4.284 -7.237 9.771 1.00 0.00 C ATOM 197 C GLU A 13 4.096 -6.363 8.533 1.00 0.00 C ATOM 198 O GLU A 13 2.995 -5.890 8.280 1.00 0.00 O ATOM 199 CB GLU A 13 5.009 -6.501 10.903 1.00 0.00 C ATOM 200 CG GLU A 13 4.779 -7.179 12.254 1.00 0.00 C ATOM 201 CD GLU A 13 3.325 -7.123 12.740 1.00 0.00 C ATOM 202 OE1 GLU A 13 2.525 -7.977 12.299 1.00 0.00 O ATOM 203 OE2 GLU A 13 2.976 -6.318 13.634 1.00 0.00 O ATOM 0 H GLU A 13 6.069 -8.276 9.791 1.00 0.00 H new ATOM 0 HA GLU A 13 3.276 -7.518 10.077 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.077 -6.467 10.690 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.660 -5.469 10.949 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.088 -8.222 12.183 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.419 -6.707 13.000 1.00 0.00 H new ATOM 210 N LEU A 14 5.150 -6.198 7.732 1.00 0.00 N ATOM 211 CA LEU A 14 5.135 -5.518 6.449 1.00 0.00 C ATOM 212 C LEU A 14 4.051 -6.156 5.597 1.00 0.00 C ATOM 213 O LEU A 14 3.075 -5.487 5.299 1.00 0.00 O ATOM 214 CB LEU A 14 6.509 -5.520 5.730 1.00 0.00 C ATOM 215 CG LEU A 14 7.651 -4.550 6.142 1.00 0.00 C ATOM 216 CD1 LEU A 14 7.243 -3.284 6.929 1.00 0.00 C ATOM 217 CD2 LEU A 14 8.825 -5.169 6.855 1.00 0.00 C ATOM 0 H LEU A 14 6.075 -6.553 7.976 1.00 0.00 H new ATOM 0 HA LEU A 14 4.918 -4.463 6.616 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.908 -6.531 5.815 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.312 -5.343 4.673 1.00 0.00 H new ATOM 0 HG LEU A 14 7.958 -4.249 5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.131 -2.694 7.154 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.554 -2.689 6.329 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.755 -3.575 7.859 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.556 -4.396 7.091 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.484 -5.640 7.777 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.286 -5.920 6.213 1.00 0.00 H new ATOM 229 N LYS A 15 4.164 -7.414 5.182 1.00 0.00 N ATOM 230 CA LYS A 15 3.219 -8.046 4.274 1.00 0.00 C ATOM 231 C LYS A 15 1.797 -7.800 4.712 1.00 0.00 C ATOM 232 O LYS A 15 1.001 -7.355 3.905 1.00 0.00 O ATOM 233 CB LYS A 15 3.505 -9.540 4.120 1.00 0.00 C ATOM 234 CG LYS A 15 3.580 -10.398 5.404 1.00 0.00 C ATOM 235 CD LYS A 15 2.240 -11.027 5.841 1.00 0.00 C ATOM 236 CE LYS A 15 2.207 -12.559 5.794 1.00 0.00 C ATOM 237 NZ LYS A 15 2.551 -13.186 7.088 1.00 0.00 N ATOM 0 H LYS A 15 4.925 -8.029 5.472 1.00 0.00 H new ATOM 0 HA LYS A 15 3.347 -7.588 3.293 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.732 -9.964 3.479 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.452 -9.646 3.591 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.306 -11.196 5.249 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.956 -9.778 6.217 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.016 -10.703 6.857 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.447 -10.640 5.201 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.212 -12.886 5.492 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.903 -12.908 5.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.240 -14.179 7.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.580 -13.146 7.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.075 -12.675 7.859 1.00 0.00 H new ATOM 251 N ASN A 16 1.508 -7.968 5.992 1.00 0.00 N ATOM 252 CA ASN A 16 0.172 -7.864 6.542 1.00 0.00 C ATOM 253 C ASN A 16 -0.418 -6.457 6.521 1.00 0.00 C ATOM 254 O ASN A 16 -1.629 -6.266 6.665 1.00 0.00 O ATOM 255 CB ASN A 16 0.298 -8.352 7.983 1.00 0.00 C ATOM 256 CG ASN A 16 -1.073 -8.709 8.515 1.00 0.00 C ATOM 257 OD1 ASN A 16 -1.648 -9.709 8.095 1.00 0.00 O ATOM 258 ND2 ASN A 16 -1.643 -7.920 9.400 1.00 0.00 N ATOM 0 H ASN A 16 2.216 -8.186 6.693 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.513 -8.452 5.932 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.955 -9.220 8.028 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.750 -7.578 8.603 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.577 -8.135 9.748 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.151 -7.093 9.738 1.00 0.00 H new ATOM 265 N LEU A 17 0.444 -5.475 6.301 1.00 0.00 N ATOM 266 CA LEU A 17 0.110 -4.054 6.218 1.00 0.00 C ATOM 267 C LEU A 17 0.055 -3.647 4.752 1.00 0.00 C ATOM 268 O LEU A 17 -0.837 -2.914 4.324 1.00 0.00 O ATOM 269 CB LEU A 17 1.177 -3.203 6.939 1.00 0.00 C ATOM 270 CG LEU A 17 0.757 -2.664 8.310 1.00 0.00 C ATOM 271 CD1 LEU A 17 0.657 -3.761 9.367 1.00 0.00 C ATOM 272 CD2 LEU A 17 1.790 -1.623 8.758 1.00 0.00 C ATOM 0 H LEU A 17 1.440 -5.651 6.169 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.855 -3.887 6.697 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.078 -3.805 7.062 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.441 -2.361 6.300 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.235 -2.224 8.209 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.356 -3.323 10.319 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.083 -4.499 9.057 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.627 -4.246 9.481 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.508 -1.227 9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.772 -2.091 8.826 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.825 -0.810 8.033 1.00 0.00 H new ATOM 284 N LEU A 18 1.038 -4.083 3.971 1.00 0.00 N ATOM 285 CA LEU A 18 1.229 -3.654 2.602 1.00 0.00 C ATOM 286 C LEU A 18 0.205 -4.371 1.739 1.00 0.00 C ATOM 287 O LEU A 18 -0.295 -3.767 0.783 1.00 0.00 O ATOM 288 CB LEU A 18 2.666 -3.924 2.095 1.00 0.00 C ATOM 289 CG LEU A 18 3.884 -3.716 3.039 1.00 0.00 C ATOM 290 CD1 LEU A 18 5.097 -3.195 2.284 1.00 0.00 C ATOM 291 CD2 LEU A 18 3.738 -2.781 4.253 1.00 0.00 C ATOM 0 H LEU A 18 1.735 -4.758 4.285 1.00 0.00 H new ATOM 0 HA LEU A 18 1.089 -2.575 2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.698 -4.958 1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.824 -3.292 1.221 1.00 0.00 H new ATOM 0 HG LEU A 18 3.984 -4.729 3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.928 -3.062 2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.380 -3.910 1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.854 -2.238 1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.678 -2.750 4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.484 -1.778 3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.948 -3.153 4.906 1.00 0.00 H new ATOM 303 N GLU A 19 -0.148 -5.608 2.117 1.00 0.00 N ATOM 304 CA GLU A 19 -1.273 -6.312 1.530 1.00 0.00 C ATOM 305 C GLU A 19 -2.555 -5.499 1.702 1.00 0.00 C ATOM 306 O GLU A 19 -3.392 -5.525 0.799 1.00 0.00 O ATOM 307 CB GLU A 19 -1.425 -7.742 2.092 1.00 0.00 C ATOM 308 CG GLU A 19 -2.184 -7.885 3.423 1.00 0.00 C ATOM 309 CD GLU A 19 -2.734 -9.305 3.606 1.00 0.00 C ATOM 310 OE1 GLU A 19 -3.688 -9.671 2.862 1.00 0.00 O ATOM 311 OE2 GLU A 19 -2.264 -10.032 4.504 1.00 0.00 O ATOM 0 H GLU A 19 0.343 -6.138 2.837 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.077 -6.422 0.464 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.934 -8.349 1.343 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.429 -8.164 2.222 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.518 -7.642 4.251 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.005 -7.169 3.454 1.00 0.00 H new ATOM 318 N GLU A 20 -2.718 -4.806 2.843 1.00 0.00 N ATOM 319 CA GLU A 20 -3.920 -4.026 3.136 1.00 0.00 C ATOM 320 C GLU A 20 -4.045 -2.877 2.140 1.00 0.00 C ATOM 321 O GLU A 20 -5.082 -2.716 1.506 1.00 0.00 O ATOM 322 CB GLU A 20 -3.975 -3.501 4.581 1.00 0.00 C ATOM 323 CG GLU A 20 -5.370 -2.915 4.850 1.00 0.00 C ATOM 324 CD GLU A 20 -5.585 -2.535 6.312 1.00 0.00 C ATOM 325 OE1 GLU A 20 -5.128 -1.437 6.703 1.00 0.00 O ATOM 326 OE2 GLU A 20 -6.246 -3.329 7.017 1.00 0.00 O ATOM 0 H GLU A 20 -2.017 -4.775 3.583 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.769 -4.702 3.032 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.764 -4.308 5.283 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.211 -2.739 4.734 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.514 -2.033 4.226 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.127 -3.642 4.554 1.00 0.00 H new ATOM 333 N LYS A 21 -2.996 -2.079 1.948 1.00 0.00 N ATOM 334 CA LYS A 21 -2.969 -1.007 0.982 1.00 0.00 C ATOM 335 C LYS A 21 -3.214 -1.615 -0.397 1.00 0.00 C ATOM 336 O LYS A 21 -4.161 -1.198 -1.066 1.00 0.00 O ATOM 337 CB LYS A 21 -1.644 -0.242 1.172 1.00 0.00 C ATOM 338 CG LYS A 21 -1.542 0.407 2.567 1.00 0.00 C ATOM 339 CD LYS A 21 -2.536 1.538 2.894 1.00 0.00 C ATOM 340 CE LYS A 21 -2.124 2.897 2.319 1.00 0.00 C ATOM 341 NZ LYS A 21 -2.917 3.987 2.928 1.00 0.00 N ATOM 0 H LYS A 21 -2.128 -2.170 2.476 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.755 -0.262 1.110 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.808 -0.926 1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.559 0.530 0.407 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.666 -0.377 3.314 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.532 0.801 2.683 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.519 1.271 2.506 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.633 1.624 3.976 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.063 3.067 2.501 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.266 2.898 1.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.622 4.899 2.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.927 3.833 2.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.761 3.997 3.956 1.00 0.00 H new ATOM 355 N LYS A 22 -2.402 -2.586 -0.845 1.00 0.00 N ATOM 356 CA LYS A 22 -2.584 -3.220 -2.155 1.00 0.00 C ATOM 357 C LYS A 22 -4.046 -3.617 -2.398 1.00 0.00 C ATOM 358 O LYS A 22 -4.548 -3.268 -3.472 1.00 0.00 O ATOM 359 CB LYS A 22 -1.629 -4.420 -2.318 1.00 0.00 C ATOM 360 CG LYS A 22 -1.645 -4.942 -3.766 1.00 0.00 C ATOM 361 CD LYS A 22 -0.743 -6.161 -3.973 1.00 0.00 C ATOM 362 CE LYS A 22 -0.962 -6.726 -5.377 1.00 0.00 C ATOM 363 NZ LYS A 22 -0.139 -7.919 -5.658 1.00 0.00 N ATOM 0 H LYS A 22 -1.610 -2.949 -0.314 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.329 -2.486 -2.919 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.616 -4.124 -2.045 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.922 -5.218 -1.636 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.667 -5.202 -4.041 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.328 -4.144 -4.437 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.302 -5.880 -3.842 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.965 -6.922 -3.225 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.015 -6.982 -5.499 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.734 -5.954 -6.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.332 -8.254 -6.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.868 -7.674 -5.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.372 -8.670 -4.977 1.00 0.00 H new ATOM 377 N ARG A 23 -4.720 -4.276 -1.439 1.00 0.00 N ATOM 378 CA ARG A 23 -6.141 -4.598 -1.583 1.00 0.00 C ATOM 379 C ARG A 23 -6.985 -3.344 -1.597 1.00 0.00 C ATOM 380 O ARG A 23 -7.751 -3.181 -2.530 1.00 0.00 O ATOM 381 CB ARG A 23 -6.681 -5.622 -0.568 1.00 0.00 C ATOM 382 CG ARG A 23 -6.709 -5.233 0.911 1.00 0.00 C ATOM 383 CD ARG A 23 -7.145 -6.377 1.827 1.00 0.00 C ATOM 384 NE ARG A 23 -8.542 -6.774 1.606 1.00 0.00 N ATOM 385 CZ ARG A 23 -9.169 -7.776 2.224 1.00 0.00 C ATOM 386 NH1 ARG A 23 -8.542 -8.486 3.155 1.00 0.00 N ATOM 387 NH2 ARG A 23 -10.429 -8.032 1.907 1.00 0.00 N ATOM 0 H ARG A 23 -4.303 -4.592 -0.564 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.220 -5.095 -2.550 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.698 -5.878 -0.864 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.084 -6.529 -0.662 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.717 -4.895 1.210 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.387 -4.390 1.045 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.496 -7.237 1.663 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.017 -6.075 2.866 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.077 -6.238 0.923 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.577 -8.266 3.400 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.026 -9.251 3.625 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.902 -7.467 1.202 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.926 -8.794 2.368 1.00 0.00 H new ATOM 401 N GLN A 24 -6.869 -2.457 -0.612 1.00 0.00 N ATOM 402 CA GLN A 24 -7.709 -1.288 -0.461 1.00 0.00 C ATOM 403 C GLN A 24 -7.774 -0.485 -1.743 1.00 0.00 C ATOM 404 O GLN A 24 -8.851 -0.048 -2.104 1.00 0.00 O ATOM 405 CB GLN A 24 -7.171 -0.381 0.641 1.00 0.00 C ATOM 406 CG GLN A 24 -7.670 -0.739 2.054 1.00 0.00 C ATOM 407 CD GLN A 24 -8.034 0.473 2.916 1.00 0.00 C ATOM 408 OE1 GLN A 24 -7.637 1.608 2.646 1.00 0.00 O ATOM 409 NE2 GLN A 24 -8.832 0.279 3.952 1.00 0.00 N ATOM 0 H GLN A 24 -6.165 -2.541 0.121 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.707 -1.644 -0.205 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.082 -0.423 0.631 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.452 0.648 0.419 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.544 -1.384 1.966 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.899 -1.316 2.565 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.160 -0.661 4.174 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.120 1.069 4.529 1.00 0.00 H new ATOM 418 N LEU A 25 -6.673 -0.292 -2.466 1.00 0.00 N ATOM 419 CA LEU A 25 -6.769 0.365 -3.765 1.00 0.00 C ATOM 420 C LEU A 25 -7.799 -0.337 -4.656 1.00 0.00 C ATOM 421 O LEU A 25 -8.688 0.313 -5.208 1.00 0.00 O ATOM 422 CB LEU A 25 -5.390 0.360 -4.409 1.00 0.00 C ATOM 423 CG LEU A 25 -5.402 0.728 -5.902 1.00 0.00 C ATOM 424 CD1 LEU A 25 -5.867 2.180 -6.045 1.00 0.00 C ATOM 425 CD2 LEU A 25 -4.009 0.561 -6.500 1.00 0.00 C ATOM 0 H LEU A 25 -5.733 -0.571 -2.186 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.107 1.393 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.748 1.061 -3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.948 -0.629 -4.292 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.083 0.067 -6.438 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.881 2.456 -7.100 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.870 2.284 -5.630 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.182 2.836 -5.507 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.033 0.825 -7.557 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.309 1.214 -5.979 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.689 -0.475 -6.392 1.00 0.00 H new ATOM 437 N MET A 26 -7.650 -1.650 -4.807 1.00 0.00 N ATOM 438 CA MET A 26 -8.546 -2.481 -5.602 1.00 0.00 C ATOM 439 C MET A 26 -9.973 -2.562 -5.019 1.00 0.00 C ATOM 440 O MET A 26 -10.923 -2.772 -5.774 1.00 0.00 O ATOM 441 CB MET A 26 -7.941 -3.889 -5.767 1.00 0.00 C ATOM 442 CG MET A 26 -6.494 -3.873 -6.284 1.00 0.00 C ATOM 443 SD MET A 26 -5.685 -5.496 -6.367 1.00 0.00 S ATOM 444 CE MET A 26 -6.160 -5.983 -8.044 1.00 0.00 C ATOM 0 H MET A 26 -6.890 -2.174 -4.373 1.00 0.00 H new ATOM 0 HA MET A 26 -8.645 -2.007 -6.579 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.971 -4.404 -4.807 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.559 -4.464 -6.456 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.486 -3.429 -7.280 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.902 -3.222 -5.640 1.00 0.00 H new ATOM 0 HE1 MET A 26 -5.746 -6.966 -8.269 1.00 0.00 H new ATOM 0 HE2 MET A 26 -7.247 -6.022 -8.118 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.774 -5.255 -8.757 1.00 0.00 H new ATOM 454 N GLU A 27 -10.168 -2.359 -3.717 1.00 0.00 N ATOM 455 CA GLU A 27 -11.462 -2.550 -3.041 1.00 0.00 C ATOM 456 C GLU A 27 -12.216 -1.221 -3.002 1.00 0.00 C ATOM 457 O GLU A 27 -13.402 -1.139 -3.295 1.00 0.00 O ATOM 458 CB GLU A 27 -11.269 -3.103 -1.617 1.00 0.00 C ATOM 459 CG GLU A 27 -10.410 -4.385 -1.572 1.00 0.00 C ATOM 460 CD GLU A 27 -11.114 -5.667 -1.134 1.00 0.00 C ATOM 461 OE1 GLU A 27 -12.253 -5.952 -1.576 1.00 0.00 O ATOM 462 OE2 GLU A 27 -10.466 -6.458 -0.410 1.00 0.00 O ATOM 0 H GLU A 27 -9.425 -2.053 -3.088 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.045 -3.281 -3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.801 -2.338 -0.998 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.246 -3.313 -1.180 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.991 -4.549 -2.565 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.572 -4.210 -0.898 1.00 0.00 H new ATOM 469 N LEU A 28 -11.520 -0.121 -2.747 1.00 0.00 N ATOM 470 CA LEU A 28 -12.077 1.209 -2.793 1.00 0.00 C ATOM 471 C LEU A 28 -12.529 1.531 -4.215 1.00 0.00 C ATOM 472 O LEU A 28 -13.606 2.099 -4.399 1.00 0.00 O ATOM 473 CB LEU A 28 -11.021 2.186 -2.276 1.00 0.00 C ATOM 474 CG LEU A 28 -10.641 2.013 -0.791 1.00 0.00 C ATOM 475 CD1 LEU A 28 -9.405 2.872 -0.512 1.00 0.00 C ATOM 476 CD2 LEU A 28 -11.753 2.374 0.187 1.00 0.00 C ATOM 0 H LEU A 28 -10.531 -0.137 -2.498 1.00 0.00 H new ATOM 0 HA LEU A 28 -12.959 1.290 -2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.121 2.077 -2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.384 3.203 -2.426 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.445 0.953 -0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.117 2.766 0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.584 2.546 -1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.633 3.917 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.402 2.224 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.034 3.418 0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.619 1.738 0.004 1.00 0.00 H new ATOM 488 N ARG A 29 -11.780 1.112 -5.243 1.00 0.00 N ATOM 489 CA ARG A 29 -12.242 1.291 -6.625 1.00 0.00 C ATOM 490 C ARG A 29 -13.500 0.460 -6.903 1.00 0.00 C ATOM 491 O ARG A 29 -14.257 0.829 -7.801 1.00 0.00 O ATOM 492 CB ARG A 29 -11.139 1.060 -7.675 1.00 0.00 C ATOM 493 CG ARG A 29 -10.724 -0.405 -7.824 1.00 0.00 C ATOM 494 CD ARG A 29 -9.672 -0.669 -8.908 1.00 0.00 C ATOM 495 NE ARG A 29 -10.241 -0.608 -10.265 1.00 0.00 N ATOM 496 CZ ARG A 29 -10.240 0.426 -11.111 1.00 0.00 C ATOM 497 NH1 ARG A 29 -9.617 1.565 -10.810 1.00 0.00 N ATOM 498 NH2 ARG A 29 -10.876 0.299 -12.266 1.00 0.00 N ATOM 0 H ARG A 29 -10.872 0.657 -5.149 1.00 0.00 H new ATOM 0 HA ARG A 29 -12.513 2.342 -6.726 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.486 1.429 -8.640 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.263 1.650 -7.404 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.336 -0.757 -6.868 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.611 -0.998 -8.046 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.870 0.064 -8.819 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.226 -1.650 -8.747 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.691 -1.460 -10.600 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.129 1.659 -9.919 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.628 2.342 -11.470 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.352 -0.574 -12.493 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.890 1.074 -12.929 1.00 0.00 H new ATOM 512 N PHE A 30 -13.745 -0.619 -6.151 1.00 0.00 N ATOM 513 CA PHE A 30 -14.984 -1.384 -6.211 1.00 0.00 C ATOM 514 C PHE A 30 -16.142 -0.625 -5.539 1.00 0.00 C ATOM 515 O PHE A 30 -17.249 -0.678 -6.075 1.00 0.00 O ATOM 516 CB PHE A 30 -14.770 -2.797 -5.622 1.00 0.00 C ATOM 517 CG PHE A 30 -16.014 -3.655 -5.470 1.00 0.00 C ATOM 518 CD1 PHE A 30 -16.923 -3.419 -4.418 1.00 0.00 C ATOM 519 CD2 PHE A 30 -16.251 -4.721 -6.357 1.00 0.00 C ATOM 520 CE1 PHE A 30 -18.073 -4.216 -4.283 1.00 0.00 C ATOM 521 CE2 PHE A 30 -17.390 -5.531 -6.212 1.00 0.00 C ATOM 522 CZ PHE A 30 -18.307 -5.271 -5.180 1.00 0.00 C ATOM 0 H PHE A 30 -13.075 -0.986 -5.475 1.00 0.00 H new ATOM 0 HA PHE A 30 -15.271 -1.510 -7.255 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.062 -3.329 -6.257 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.304 -2.693 -4.642 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -16.735 -2.623 -3.713 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.552 -4.918 -7.156 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -18.777 -4.017 -3.489 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -17.560 -6.352 -6.893 1.00 0.00 H new ATOM 0 HZ PHE A 30 -19.191 -5.882 -5.076 1.00 0.00 H new ATOM 532 N GLN A 31 -15.944 0.115 -4.433 1.00 0.00 N ATOM 533 CA GLN A 31 -17.014 0.828 -3.759 1.00 0.00 C ATOM 534 C GLN A 31 -17.324 2.062 -4.592 1.00 0.00 C ATOM 535 O GLN A 31 -18.469 2.464 -4.721 1.00 0.00 O ATOM 536 CB GLN A 31 -16.606 1.220 -2.326 1.00 0.00 C ATOM 537 CG GLN A 31 -16.198 0.013 -1.455 1.00 0.00 C ATOM 538 CD GLN A 31 -16.292 0.312 0.042 1.00 0.00 C ATOM 539 OE1 GLN A 31 -17.381 0.523 0.572 1.00 0.00 O ATOM 540 NE2 GLN A 31 -15.188 0.337 0.773 1.00 0.00 N ATOM 0 H GLN A 31 -15.032 0.228 -3.991 1.00 0.00 H new ATOM 0 HA GLN A 31 -17.895 0.193 -3.669 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.775 1.923 -2.372 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -17.437 1.739 -1.848 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -16.839 -0.836 -1.693 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.177 -0.279 -1.700 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.283 0.162 0.336 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -15.243 0.531 1.773 1.00 0.00 H new ATOM 549 N LEU A 32 -16.312 2.649 -5.221 1.00 0.00 N ATOM 550 CA LEU A 32 -16.422 3.740 -6.171 1.00 0.00 C ATOM 551 C LEU A 32 -17.228 3.325 -7.391 1.00 0.00 C ATOM 552 O LEU A 32 -18.133 4.042 -7.809 1.00 0.00 O ATOM 553 CB LEU A 32 -14.988 4.110 -6.545 1.00 0.00 C ATOM 554 CG LEU A 32 -14.799 5.178 -7.620 1.00 0.00 C ATOM 555 CD1 LEU A 32 -15.160 4.803 -9.064 1.00 0.00 C ATOM 556 CD2 LEU A 32 -15.461 6.485 -7.167 1.00 0.00 C ATOM 0 H LEU A 32 -15.346 2.359 -5.072 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.950 4.593 -5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.480 4.447 -5.641 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.481 3.204 -6.877 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.719 5.303 -7.700 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.976 5.655 -9.718 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.547 3.960 -9.385 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.213 4.526 -9.116 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.326 7.247 -7.935 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.526 6.317 -7.006 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.003 6.822 -6.237 1.00 0.00 H new ATOM 568 N ALA A 33 -16.883 2.171 -7.956 1.00 0.00 N ATOM 569 CA ALA A 33 -17.608 1.534 -9.043 1.00 0.00 C ATOM 570 C ALA A 33 -19.066 1.277 -8.663 1.00 0.00 C ATOM 571 O ALA A 33 -19.939 1.374 -9.531 1.00 0.00 O ATOM 572 CB ALA A 33 -16.923 0.216 -9.409 1.00 0.00 C ATOM 0 H ALA A 33 -16.065 1.640 -7.658 1.00 0.00 H new ATOM 0 HA ALA A 33 -17.600 2.205 -9.902 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.466 -0.262 -10.224 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.898 0.414 -9.723 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.916 -0.444 -8.541 1.00 0.00 H new ATOM 578 N MET A 34 -19.330 0.953 -7.393 1.00 0.00 N ATOM 579 CA MET A 34 -20.665 0.804 -6.864 1.00 0.00 C ATOM 580 C MET A 34 -21.352 2.160 -6.671 1.00 0.00 C ATOM 581 O MET A 34 -22.581 2.221 -6.704 1.00 0.00 O ATOM 582 CB MET A 34 -20.605 0.059 -5.524 1.00 0.00 C ATOM 583 CG MET A 34 -20.448 -1.458 -5.647 1.00 0.00 C ATOM 584 SD MET A 34 -21.634 -2.382 -4.643 1.00 0.00 S ATOM 585 CE MET A 34 -23.102 -2.055 -5.648 1.00 0.00 C ATOM 0 H MET A 34 -18.599 0.787 -6.701 1.00 0.00 H new ATOM 0 HA MET A 34 -21.251 0.232 -7.584 1.00 0.00 H new ATOM 0 HB2 MET A 34 -19.771 0.452 -4.942 1.00 0.00 H new ATOM 0 HB3 MET A 34 -21.515 0.273 -4.963 1.00 0.00 H new ATOM 0 HG2 MET A 34 -20.565 -1.745 -6.692 1.00 0.00 H new ATOM 0 HG3 MET A 34 -19.437 -1.737 -5.351 1.00 0.00 H new ATOM 0 HE1 MET A 34 -23.840 -1.519 -5.051 1.00 0.00 H new ATOM 0 HE2 MET A 34 -22.825 -1.450 -6.511 1.00 0.00 H new ATOM 0 HE3 MET A 34 -23.528 -2.999 -5.988 1.00 0.00 H new ATOM 595 N GLY A 35 -20.584 3.230 -6.470 1.00 0.00 N ATOM 596 CA GLY A 35 -21.036 4.603 -6.343 1.00 0.00 C ATOM 597 C GLY A 35 -20.913 5.175 -4.934 1.00 0.00 C ATOM 598 O GLY A 35 -21.594 6.153 -4.623 1.00 0.00 O ATOM 0 H GLY A 35 -19.570 3.150 -6.387 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -20.462 5.227 -7.028 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -22.078 4.661 -6.657 1.00 0.00 H new ATOM 602 N GLN A 36 -20.095 4.589 -4.054 1.00 0.00 N ATOM 603 CA GLN A 36 -20.211 4.856 -2.620 1.00 0.00 C ATOM 604 C GLN A 36 -19.019 5.629 -2.088 1.00 0.00 C ATOM 605 O GLN A 36 -19.159 6.370 -1.114 1.00 0.00 O ATOM 606 CB GLN A 36 -20.380 3.543 -1.855 1.00 0.00 C ATOM 607 CG GLN A 36 -21.372 2.620 -2.573 1.00 0.00 C ATOM 608 CD GLN A 36 -21.813 1.442 -1.708 1.00 0.00 C ATOM 609 OE1 GLN A 36 -21.563 1.398 -0.503 1.00 0.00 O ATOM 610 NE2 GLN A 36 -22.528 0.495 -2.286 1.00 0.00 N ATOM 0 H GLN A 36 -19.354 3.935 -4.307 1.00 0.00 H new ATOM 0 HA GLN A 36 -21.093 5.478 -2.469 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -19.415 3.045 -1.761 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -20.733 3.748 -0.844 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -22.249 3.196 -2.869 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -20.914 2.243 -3.487 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -22.727 0.544 -3.285 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -22.881 -0.286 -1.734 1.00 0.00 H new ATOM 619 N LEU A 37 -17.862 5.456 -2.726 1.00 0.00 N ATOM 620 CA LEU A 37 -16.628 6.194 -2.511 1.00 0.00 C ATOM 621 C LEU A 37 -16.842 7.704 -2.701 1.00 0.00 C ATOM 622 O LEU A 37 -16.638 8.232 -3.797 1.00 0.00 O ATOM 623 CB LEU A 37 -15.604 5.592 -3.463 1.00 0.00 C ATOM 624 CG LEU A 37 -14.131 5.750 -3.097 1.00 0.00 C ATOM 625 CD1 LEU A 37 -13.720 7.132 -2.598 1.00 0.00 C ATOM 626 CD2 LEU A 37 -13.764 4.655 -2.102 1.00 0.00 C ATOM 0 H LEU A 37 -17.760 4.749 -3.454 1.00 0.00 H new ATOM 0 HA LEU A 37 -16.268 6.103 -1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.816 4.527 -3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.757 6.035 -4.447 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.563 5.645 -4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.655 7.133 -2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.925 7.873 -3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.287 7.378 -1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.714 4.750 -1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.383 4.752 -1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -13.933 3.679 -2.557 1.00 0.00 H new ATOM 638 N LYS A 38 -17.292 8.407 -1.658 1.00 0.00 N ATOM 639 CA LYS A 38 -17.820 9.762 -1.806 1.00 0.00 C ATOM 640 C LYS A 38 -16.718 10.822 -1.800 1.00 0.00 C ATOM 641 O LYS A 38 -17.037 11.992 -2.010 1.00 0.00 O ATOM 642 CB LYS A 38 -18.921 10.029 -0.760 1.00 0.00 C ATOM 643 CG LYS A 38 -19.920 11.107 -1.224 1.00 0.00 C ATOM 644 CD LYS A 38 -21.111 11.280 -0.276 1.00 0.00 C ATOM 645 CE LYS A 38 -22.031 12.376 -0.832 1.00 0.00 C ATOM 646 NZ LYS A 38 -23.283 12.526 -0.064 1.00 0.00 N ATOM 0 H LYS A 38 -17.300 8.057 -0.700 1.00 0.00 H new ATOM 0 HA LYS A 38 -18.282 9.838 -2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -19.458 9.103 -0.557 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -18.461 10.343 0.177 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -19.398 12.059 -1.318 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -20.289 10.847 -2.216 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -21.657 10.341 -0.181 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -20.763 11.549 0.721 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -21.496 13.326 -0.832 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -22.274 12.147 -1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -23.862 13.280 -0.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -23.812 11.631 -0.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -23.059 12.773 0.921 1.00 0.00 H new ATOM 660 N ASN A 39 -15.444 10.467 -1.616 1.00 0.00 N ATOM 661 CA ASN A 39 -14.334 11.372 -1.890 1.00 0.00 C ATOM 662 C ASN A 39 -13.331 10.690 -2.807 1.00 0.00 C ATOM 663 O ASN A 39 -12.465 9.946 -2.356 1.00 0.00 O ATOM 664 CB ASN A 39 -13.656 11.872 -0.608 1.00 0.00 C ATOM 665 CG ASN A 39 -12.592 12.911 -0.952 1.00 0.00 C ATOM 666 OD1 ASN A 39 -12.463 13.345 -2.098 1.00 0.00 O ATOM 667 ND2 ASN A 39 -11.816 13.355 0.018 1.00 0.00 N ATOM 0 H ASN A 39 -15.158 9.549 -1.275 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.738 12.253 -2.389 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.399 12.308 0.060 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -13.201 11.036 -0.077 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.106 14.060 -0.179 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.926 12.993 0.965 1.00 0.00 H new ATOM 674 N THR A 40 -13.417 10.941 -4.107 1.00 0.00 N ATOM 675 CA THR A 40 -12.516 10.365 -5.100 1.00 0.00 C ATOM 676 C THR A 40 -11.047 10.762 -4.905 1.00 0.00 C ATOM 677 O THR A 40 -10.167 10.000 -5.332 1.00 0.00 O ATOM 678 CB THR A 40 -13.042 10.681 -6.509 1.00 0.00 C ATOM 679 OG1 THR A 40 -13.408 12.041 -6.684 1.00 0.00 O ATOM 680 CG2 THR A 40 -14.258 9.810 -6.826 1.00 0.00 C ATOM 0 H THR A 40 -14.123 11.558 -4.508 1.00 0.00 H new ATOM 0 HA THR A 40 -12.513 9.284 -4.962 1.00 0.00 H new ATOM 0 HB THR A 40 -12.217 10.469 -7.189 1.00 0.00 H new ATOM 0 HG1 THR A 40 -13.732 12.177 -7.599 1.00 0.00 H new ATOM 0 HG21 THR A 40 -14.622 10.043 -7.827 1.00 0.00 H new ATOM 0 HG22 THR A 40 -13.975 8.759 -6.779 1.00 0.00 H new ATOM 0 HG23 THR A 40 -15.046 10.007 -6.099 1.00 0.00 H new ATOM 688 N SER A 41 -10.743 11.855 -4.191 1.00 0.00 N ATOM 689 CA SER A 41 -9.368 12.120 -3.784 1.00 0.00 C ATOM 690 C SER A 41 -8.831 11.036 -2.855 1.00 0.00 C ATOM 691 O SER A 41 -7.632 10.776 -2.882 1.00 0.00 O ATOM 692 CB SER A 41 -9.233 13.456 -3.068 1.00 0.00 C ATOM 693 OG SER A 41 -9.323 14.521 -3.987 1.00 0.00 O ATOM 0 H SER A 41 -11.422 12.555 -3.891 1.00 0.00 H new ATOM 0 HA SER A 41 -8.789 12.137 -4.707 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.014 13.552 -2.314 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.278 13.500 -2.544 1.00 0.00 H new ATOM 0 HG SER A 41 -9.236 15.373 -3.510 1.00 0.00 H new ATOM 699 N LEU A 42 -9.681 10.381 -2.058 1.00 0.00 N ATOM 700 CA LEU A 42 -9.231 9.348 -1.139 1.00 0.00 C ATOM 701 C LEU A 42 -8.625 8.207 -1.942 1.00 0.00 C ATOM 702 O LEU A 42 -7.511 7.788 -1.647 1.00 0.00 O ATOM 703 CB LEU A 42 -10.373 8.898 -0.216 1.00 0.00 C ATOM 704 CG LEU A 42 -9.857 8.011 0.935 1.00 0.00 C ATOM 705 CD1 LEU A 42 -10.671 8.264 2.203 1.00 0.00 C ATOM 706 CD2 LEU A 42 -9.921 6.516 0.597 1.00 0.00 C ATOM 0 H LEU A 42 -10.686 10.553 -2.036 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.458 9.741 -0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.875 9.773 0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.115 8.348 -0.795 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.812 8.280 1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.297 7.632 3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.579 9.311 2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.719 8.030 2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.546 5.936 1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.954 6.233 0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.309 6.315 -0.282 1.00 0.00 H new ATOM 718 N ILE A 43 -9.291 7.750 -3.010 1.00 0.00 N ATOM 719 CA ILE A 43 -8.717 6.757 -3.917 1.00 0.00 C ATOM 720 C ILE A 43 -7.362 7.261 -4.435 1.00 0.00 C ATOM 721 O ILE A 43 -6.364 6.556 -4.296 1.00 0.00 O ATOM 722 CB ILE A 43 -9.733 6.344 -5.021 1.00 0.00 C ATOM 723 CG1 ILE A 43 -10.230 4.892 -4.819 1.00 0.00 C ATOM 724 CG2 ILE A 43 -9.219 6.519 -6.457 1.00 0.00 C ATOM 725 CD1 ILE A 43 -9.196 3.780 -5.089 1.00 0.00 C ATOM 0 H ILE A 43 -10.230 8.055 -3.265 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.513 5.829 -3.383 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.563 7.040 -4.902 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.585 4.790 -3.793 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -11.088 4.729 -5.471 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.991 6.207 -7.160 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.972 7.566 -6.630 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.328 5.908 -6.602 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.655 2.807 -4.916 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.856 3.842 -6.123 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.345 3.904 -4.419 1.00 0.00 H new ATOM 737 N LYS A 44 -7.289 8.478 -4.990 1.00 0.00 N ATOM 738 CA LYS A 44 -6.067 9.056 -5.556 1.00 0.00 C ATOM 739 C LYS A 44 -4.915 9.066 -4.555 1.00 0.00 C ATOM 740 O LYS A 44 -3.774 8.763 -4.911 1.00 0.00 O ATOM 741 CB LYS A 44 -6.421 10.461 -6.075 1.00 0.00 C ATOM 742 CG LYS A 44 -5.221 11.330 -6.442 1.00 0.00 C ATOM 743 CD LYS A 44 -4.698 12.204 -5.289 1.00 0.00 C ATOM 744 CE LYS A 44 -3.167 12.245 -5.289 1.00 0.00 C ATOM 745 NZ LYS A 44 -2.606 13.493 -5.853 1.00 0.00 N ATOM 0 H LYS A 44 -8.095 9.099 -5.059 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.705 8.442 -6.381 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.059 10.358 -6.953 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.006 10.977 -5.314 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.413 10.686 -6.790 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.496 11.975 -7.276 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.093 13.215 -5.385 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.056 11.811 -4.337 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.809 12.126 -4.266 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.789 11.397 -5.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.567 13.452 -5.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.919 13.600 -6.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.937 14.306 -5.295 1.00 0.00 H new ATOM 759 N LEU A 45 -5.202 9.388 -3.302 1.00 0.00 N ATOM 760 CA LEU A 45 -4.261 9.455 -2.220 1.00 0.00 C ATOM 761 C LEU A 45 -3.834 8.039 -1.876 1.00 0.00 C ATOM 762 O LEU A 45 -2.684 7.807 -1.519 1.00 0.00 O ATOM 763 CB LEU A 45 -4.953 10.131 -1.051 1.00 0.00 C ATOM 764 CG LEU A 45 -4.886 11.665 -1.163 1.00 0.00 C ATOM 765 CD1 LEU A 45 -5.654 12.202 0.020 1.00 0.00 C ATOM 766 CD2 LEU A 45 -3.474 12.269 -1.137 1.00 0.00 C ATOM 0 H LEU A 45 -6.151 9.620 -3.009 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.371 10.027 -2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.995 9.814 -1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.487 9.813 -0.118 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.294 11.940 -2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.643 13.292 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.684 11.849 -0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.190 11.854 0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.541 13.354 -1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.984 12.008 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.894 11.875 -1.971 1.00 0.00 H new ATOM 778 N THR A 46 -4.735 7.073 -2.028 1.00 0.00 N ATOM 779 CA THR A 46 -4.484 5.695 -1.700 1.00 0.00 C ATOM 780 C THR A 46 -3.533 5.121 -2.759 1.00 0.00 C ATOM 781 O THR A 46 -2.488 4.624 -2.373 1.00 0.00 O ATOM 782 CB THR A 46 -5.848 5.012 -1.479 1.00 0.00 C ATOM 783 OG1 THR A 46 -6.507 5.705 -0.437 1.00 0.00 O ATOM 784 CG2 THR A 46 -5.779 3.574 -1.003 1.00 0.00 C ATOM 0 H THR A 46 -5.674 7.241 -2.390 1.00 0.00 H new ATOM 0 HA THR A 46 -3.952 5.525 -0.764 1.00 0.00 H new ATOM 0 HB THR A 46 -6.345 5.028 -2.449 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.193 6.293 -0.818 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.789 3.183 -0.877 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.246 2.972 -1.739 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.252 3.531 -0.050 1.00 0.00 H new ATOM 792 N LYS A 47 -3.746 5.272 -4.076 1.00 0.00 N ATOM 793 CA LYS A 47 -2.764 4.816 -5.100 1.00 0.00 C ATOM 794 C LYS A 47 -1.364 5.399 -4.969 1.00 0.00 C ATOM 795 O LYS A 47 -0.409 4.708 -5.345 1.00 0.00 O ATOM 796 CB LYS A 47 -3.230 4.803 -6.561 1.00 0.00 C ATOM 797 CG LYS A 47 -4.122 5.967 -6.868 1.00 0.00 C ATOM 798 CD LYS A 47 -5.583 5.544 -6.963 1.00 0.00 C ATOM 799 CE LYS A 47 -5.948 5.083 -8.387 1.00 0.00 C ATOM 800 NZ LYS A 47 -6.387 6.193 -9.274 1.00 0.00 N ATOM 0 H LYS A 47 -4.584 5.704 -4.466 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.697 3.764 -4.823 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.362 4.826 -7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.761 3.873 -6.765 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.012 6.725 -6.093 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.813 6.425 -7.808 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.775 4.735 -6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.223 6.378 -6.674 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.084 4.591 -8.834 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.743 4.340 -8.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.617 5.815 -10.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.229 6.649 -8.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.622 6.892 -9.359 1.00 0.00 H new ATOM 814 N ARG A 48 -1.207 6.612 -4.432 1.00 0.00 N ATOM 815 CA ARG A 48 0.132 7.190 -4.295 1.00 0.00 C ATOM 816 C ARG A 48 0.916 6.340 -3.299 1.00 0.00 C ATOM 817 O ARG A 48 2.097 6.052 -3.497 1.00 0.00 O ATOM 818 CB ARG A 48 0.039 8.677 -3.869 1.00 0.00 C ATOM 819 CG ARG A 48 0.189 8.991 -2.366 1.00 0.00 C ATOM 820 CD ARG A 48 -0.293 10.389 -1.983 1.00 0.00 C ATOM 821 NE ARG A 48 0.013 10.741 -0.585 1.00 0.00 N ATOM 822 CZ ARG A 48 -0.696 10.438 0.510 1.00 0.00 C ATOM 823 NH1 ARG A 48 -1.666 9.532 0.473 1.00 0.00 N ATOM 824 NH2 ARG A 48 -0.457 11.091 1.639 1.00 0.00 N ATOM 0 H ARG A 48 -1.969 7.200 -4.093 1.00 0.00 H new ATOM 0 HA ARG A 48 0.659 7.181 -5.249 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.807 9.231 -4.408 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.925 9.064 -4.200 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.370 8.253 -1.791 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.237 8.887 -2.084 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.169 11.121 -2.646 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.370 10.452 -2.140 1.00 0.00 H new ATOM 0 HE ARG A 48 0.866 11.279 -0.433 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.883 9.052 -0.401 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.194 9.316 1.318 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.260 11.815 1.667 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.991 10.869 2.479 1.00 0.00 H new ATOM 838 N ASP A 49 0.221 5.913 -2.249 1.00 0.00 N ATOM 839 CA ASP A 49 0.791 5.241 -1.102 1.00 0.00 C ATOM 840 C ASP A 49 0.783 3.758 -1.351 1.00 0.00 C ATOM 841 O ASP A 49 1.752 3.120 -0.983 1.00 0.00 O ATOM 842 CB ASP A 49 0.030 5.617 0.175 1.00 0.00 C ATOM 843 CG ASP A 49 0.682 6.823 0.860 1.00 0.00 C ATOM 844 OD1 ASP A 49 1.293 7.652 0.145 1.00 0.00 O ATOM 845 OD2 ASP A 49 0.598 6.934 2.098 1.00 0.00 O ATOM 0 H ASP A 49 -0.789 6.033 -2.178 1.00 0.00 H new ATOM 0 HA ASP A 49 1.823 5.560 -0.957 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.007 5.848 -0.069 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.016 4.768 0.859 1.00 0.00 H new ATOM 850 N ILE A 50 -0.205 3.203 -2.062 1.00 0.00 N ATOM 851 CA ILE A 50 -0.160 1.808 -2.490 1.00 0.00 C ATOM 852 C ILE A 50 1.118 1.621 -3.243 1.00 0.00 C ATOM 853 O ILE A 50 1.863 0.723 -2.900 1.00 0.00 O ATOM 854 CB ILE A 50 -1.358 1.332 -3.354 1.00 0.00 C ATOM 855 CG1 ILE A 50 -2.407 0.732 -2.428 1.00 0.00 C ATOM 856 CG2 ILE A 50 -1.023 0.195 -4.352 1.00 0.00 C ATOM 857 CD1 ILE A 50 -3.244 1.775 -1.709 1.00 0.00 C ATOM 0 H ILE A 50 -1.045 3.703 -2.352 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.221 1.194 -1.591 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.678 2.212 -3.912 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.065 0.085 -3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.911 0.102 -1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.919 -0.073 -4.912 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.251 0.533 -5.043 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.664 -0.676 -3.804 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.971 1.278 -1.066 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.595 2.407 -1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.767 2.390 -2.441 1.00 0.00 H new ATOM 869 N ALA A 51 1.378 2.434 -4.261 1.00 0.00 N ATOM 870 CA ALA A 51 2.491 2.109 -5.112 1.00 0.00 C ATOM 871 C ALA A 51 3.822 2.252 -4.359 1.00 0.00 C ATOM 872 O ALA A 51 4.745 1.516 -4.678 1.00 0.00 O ATOM 873 CB ALA A 51 2.372 2.961 -6.362 1.00 0.00 C ATOM 0 H ALA A 51 0.858 3.278 -4.501 1.00 0.00 H new ATOM 0 HA ALA A 51 2.474 1.063 -5.419 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.202 2.741 -7.033 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.431 2.740 -6.865 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.398 4.016 -6.087 1.00 0.00 H new ATOM 879 N ARG A 52 3.901 3.078 -3.309 1.00 0.00 N ATOM 880 CA ARG A 52 5.043 3.157 -2.393 1.00 0.00 C ATOM 881 C ARG A 52 5.120 1.922 -1.501 1.00 0.00 C ATOM 882 O ARG A 52 6.130 1.221 -1.483 1.00 0.00 O ATOM 883 CB ARG A 52 4.893 4.461 -1.580 1.00 0.00 C ATOM 884 CG ARG A 52 6.103 4.914 -0.755 1.00 0.00 C ATOM 885 CD ARG A 52 6.221 4.210 0.600 1.00 0.00 C ATOM 886 NE ARG A 52 7.013 5.022 1.544 1.00 0.00 N ATOM 887 CZ ARG A 52 6.556 5.657 2.635 1.00 0.00 C ATOM 888 NH1 ARG A 52 5.281 5.578 2.999 1.00 0.00 N ATOM 889 NH2 ARG A 52 7.396 6.358 3.377 1.00 0.00 N ATOM 0 H ARG A 52 3.152 3.727 -3.067 1.00 0.00 H new ATOM 0 HA ARG A 52 5.982 3.179 -2.946 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.636 5.263 -2.272 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.047 4.342 -0.903 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.012 4.733 -1.329 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.038 5.990 -0.591 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.227 4.033 1.011 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.690 3.235 0.469 1.00 0.00 H new ATOM 0 HE ARG A 52 8.010 5.110 1.347 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.626 5.026 2.445 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.957 6.069 3.832 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.381 6.413 3.119 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.059 6.844 4.208 1.00 0.00 H new ATOM 903 N ILE A 53 4.064 1.670 -0.737 1.00 0.00 N ATOM 904 CA ILE A 53 3.922 0.564 0.196 1.00 0.00 C ATOM 905 C ILE A 53 4.107 -0.762 -0.509 1.00 0.00 C ATOM 906 O ILE A 53 5.022 -1.500 -0.170 1.00 0.00 O ATOM 907 CB ILE A 53 2.589 0.744 0.954 1.00 0.00 C ATOM 908 CG1 ILE A 53 2.784 1.837 2.033 1.00 0.00 C ATOM 909 CG2 ILE A 53 2.095 -0.549 1.594 1.00 0.00 C ATOM 910 CD1 ILE A 53 1.651 2.854 2.136 1.00 0.00 C ATOM 0 H ILE A 53 3.238 2.268 -0.755 1.00 0.00 H new ATOM 0 HA ILE A 53 4.709 0.563 0.950 1.00 0.00 H new ATOM 0 HB ILE A 53 1.825 1.041 0.236 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.905 1.352 3.002 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.712 2.370 1.825 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.155 -0.362 2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.939 -1.301 0.821 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.837 -0.909 2.306 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.881 3.577 2.919 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.540 3.373 1.184 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.721 2.340 2.379 1.00 0.00 H new ATOM 922 N LYS A 54 3.307 -1.065 -1.519 1.00 0.00 N ATOM 923 CA LYS A 54 3.377 -2.346 -2.195 1.00 0.00 C ATOM 924 C LYS A 54 4.782 -2.571 -2.779 1.00 0.00 C ATOM 925 O LYS A 54 5.262 -3.702 -2.813 1.00 0.00 O ATOM 926 CB LYS A 54 2.196 -2.471 -3.194 1.00 0.00 C ATOM 927 CG LYS A 54 2.447 -1.753 -4.534 1.00 0.00 C ATOM 928 CD LYS A 54 3.215 -2.618 -5.539 1.00 0.00 C ATOM 929 CE LYS A 54 3.072 -2.018 -6.938 1.00 0.00 C ATOM 930 NZ LYS A 54 3.888 -2.749 -7.924 1.00 0.00 N ATOM 0 H LYS A 54 2.597 -0.434 -1.889 1.00 0.00 H new ATOM 0 HA LYS A 54 3.246 -3.171 -1.495 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.003 -3.526 -3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.296 -2.062 -2.734 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.491 -1.462 -4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.006 -0.836 -4.350 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.267 -2.672 -5.260 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.830 -3.638 -5.527 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.025 -2.042 -7.240 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.374 -0.971 -6.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.768 -2.317 -8.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.890 -2.704 -7.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.583 -3.743 -7.959 1.00 0.00 H new ATOM 944 N THR A 55 5.478 -1.501 -3.177 1.00 0.00 N ATOM 945 CA THR A 55 6.856 -1.588 -3.626 1.00 0.00 C ATOM 946 C THR A 55 7.797 -1.970 -2.487 1.00 0.00 C ATOM 947 O THR A 55 8.734 -2.696 -2.778 1.00 0.00 O ATOM 948 CB THR A 55 7.246 -0.263 -4.284 1.00 0.00 C ATOM 949 OG1 THR A 55 6.521 -0.139 -5.487 1.00 0.00 O ATOM 950 CG2 THR A 55 8.727 -0.068 -4.604 1.00 0.00 C ATOM 0 H THR A 55 5.096 -0.556 -3.194 1.00 0.00 H new ATOM 0 HA THR A 55 6.947 -2.385 -4.364 1.00 0.00 H new ATOM 0 HB THR A 55 7.011 0.500 -3.542 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.653 0.278 -5.304 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.874 0.908 -5.067 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.309 -0.125 -3.684 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.057 -0.848 -5.290 1.00 0.00 H new ATOM 958 N ILE A 56 7.600 -1.551 -1.226 1.00 0.00 N ATOM 959 CA ILE A 56 8.466 -1.987 -0.115 1.00 0.00 C ATOM 960 C ILE A 56 8.513 -3.504 -0.072 1.00 0.00 C ATOM 961 O ILE A 56 9.608 -4.050 -0.045 1.00 0.00 O ATOM 962 CB ILE A 56 8.061 -1.416 1.259 1.00 0.00 C ATOM 963 CG1 ILE A 56 8.326 0.097 1.292 1.00 0.00 C ATOM 964 CG2 ILE A 56 8.715 -2.137 2.467 1.00 0.00 C ATOM 965 CD1 ILE A 56 9.700 0.536 1.810 1.00 0.00 C ATOM 0 H ILE A 56 6.853 -0.914 -0.950 1.00 0.00 H new ATOM 0 HA ILE A 56 9.458 -1.583 -0.316 1.00 0.00 H new ATOM 0 HB ILE A 56 6.993 -1.603 1.372 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.200 0.488 0.282 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.561 0.565 1.912 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.377 -1.673 3.394 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.428 -3.189 2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.800 -2.056 2.395 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.768 1.624 1.786 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.831 0.187 2.834 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.480 0.110 1.179 1.00 0.00 H new ATOM 977 N LEU A 57 7.352 -4.160 -0.109 1.00 0.00 N ATOM 978 CA LEU A 57 7.250 -5.617 -0.117 1.00 0.00 C ATOM 979 C LEU A 57 8.149 -6.158 -1.224 1.00 0.00 C ATOM 980 O LEU A 57 9.092 -6.891 -0.959 1.00 0.00 O ATOM 981 CB LEU A 57 5.773 -6.039 -0.234 1.00 0.00 C ATOM 982 CG LEU A 57 5.535 -7.491 -0.680 1.00 0.00 C ATOM 983 CD1 LEU A 57 6.308 -8.503 0.156 1.00 0.00 C ATOM 984 CD2 LEU A 57 4.040 -7.806 -0.584 1.00 0.00 C ATOM 0 H LEU A 57 6.448 -3.688 -0.134 1.00 0.00 H new ATOM 0 HA LEU A 57 7.602 -6.051 0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.293 -5.891 0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.278 -5.374 -0.941 1.00 0.00 H new ATOM 0 HG LEU A 57 5.893 -7.576 -1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.099 -9.510 -0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.376 -8.302 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.002 -8.422 1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.864 -8.835 -0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.707 -7.680 0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.483 -7.128 -1.231 1.00 0.00 H new ATOM 996 N ARG A 58 7.931 -5.700 -2.448 1.00 0.00 N ATOM 997 CA ARG A 58 8.722 -6.079 -3.614 1.00 0.00 C ATOM 998 C ARG A 58 10.212 -5.864 -3.378 1.00 0.00 C ATOM 999 O ARG A 58 11.007 -6.734 -3.693 1.00 0.00 O ATOM 1000 CB ARG A 58 8.240 -5.294 -4.836 1.00 0.00 C ATOM 1001 CG ARG A 58 8.104 -6.201 -6.063 1.00 0.00 C ATOM 1002 CD ARG A 58 9.406 -6.879 -6.519 1.00 0.00 C ATOM 1003 NE ARG A 58 9.179 -7.648 -7.755 1.00 0.00 N ATOM 1004 CZ ARG A 58 9.628 -7.377 -8.986 1.00 0.00 C ATOM 1005 NH1 ARG A 58 10.499 -6.401 -9.207 1.00 0.00 N ATOM 1006 NH2 ARG A 58 9.184 -8.079 -10.016 1.00 0.00 N ATOM 0 H ARG A 58 7.184 -5.040 -2.665 1.00 0.00 H new ATOM 0 HA ARG A 58 8.581 -7.145 -3.795 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.279 -4.830 -4.616 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.941 -4.488 -5.053 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.367 -6.974 -5.845 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.711 -5.610 -6.890 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.176 -6.126 -6.688 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.773 -7.540 -5.734 1.00 0.00 H new ATOM 0 HE ARG A 58 8.610 -8.489 -7.661 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.842 -5.837 -8.429 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.826 -6.214 -10.155 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.502 -8.823 -9.870 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.524 -7.876 -10.956 1.00 0.00 H new ATOM 1020 N GLU A 59 10.603 -4.708 -2.856 1.00 0.00 N ATOM 1021 CA GLU A 59 11.993 -4.397 -2.550 1.00 0.00 C ATOM 1022 C GLU A 59 12.562 -5.395 -1.540 1.00 0.00 C ATOM 1023 O GLU A 59 13.735 -5.752 -1.624 1.00 0.00 O ATOM 1024 CB GLU A 59 12.167 -2.988 -1.962 1.00 0.00 C ATOM 1025 CG GLU A 59 11.673 -1.801 -2.784 1.00 0.00 C ATOM 1026 CD GLU A 59 12.724 -0.689 -2.913 1.00 0.00 C ATOM 1027 OE1 GLU A 59 12.863 0.158 -1.992 1.00 0.00 O ATOM 1028 OE2 GLU A 59 13.432 -0.653 -3.944 1.00 0.00 O ATOM 0 H GLU A 59 9.956 -3.952 -2.631 1.00 0.00 H new ATOM 0 HA GLU A 59 12.527 -4.455 -3.498 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.656 -2.963 -0.999 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.228 -2.838 -1.764 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.391 -2.146 -3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.774 -1.393 -2.322 1.00 0.00 H new ATOM 1035 N ARG A 60 11.762 -5.804 -0.559 1.00 0.00 N ATOM 1036 CA ARG A 60 12.149 -6.808 0.433 1.00 0.00 C ATOM 1037 C ARG A 60 12.278 -8.187 -0.201 1.00 0.00 C ATOM 1038 O ARG A 60 13.209 -8.910 0.133 1.00 0.00 O ATOM 1039 CB ARG A 60 11.203 -6.832 1.652 1.00 0.00 C ATOM 1040 CG ARG A 60 11.267 -5.541 2.493 1.00 0.00 C ATOM 1041 CD ARG A 60 10.740 -5.719 3.933 1.00 0.00 C ATOM 1042 NE ARG A 60 11.776 -5.495 4.970 1.00 0.00 N ATOM 1043 CZ ARG A 60 12.992 -6.065 4.998 1.00 0.00 C ATOM 1044 NH1 ARG A 60 13.261 -7.096 4.214 1.00 0.00 N ATOM 1045 NH2 ARG A 60 13.955 -5.606 5.784 1.00 0.00 N ATOM 0 H ARG A 60 10.816 -5.445 -0.427 1.00 0.00 H new ATOM 0 HA ARG A 60 13.130 -6.517 0.809 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.180 -6.984 1.308 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.456 -7.683 2.284 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.299 -5.193 2.532 1.00 0.00 H new ATOM 0 HG3 ARG A 60 10.687 -4.763 1.996 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.915 -5.026 4.098 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.338 -6.726 4.043 1.00 0.00 H new ATOM 0 HE ARG A 60 11.545 -4.852 5.728 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.544 -7.460 3.586 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.185 -7.527 4.237 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.781 -4.802 6.387 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.870 -6.057 5.786 1.00 0.00 H new ATOM 1059 N GLU A 61 11.434 -8.499 -1.181 1.00 0.00 N ATOM 1060 CA GLU A 61 11.377 -9.807 -1.827 1.00 0.00 C ATOM 1061 C GLU A 61 12.730 -10.164 -2.449 1.00 0.00 C ATOM 1062 O GLU A 61 13.164 -11.311 -2.327 1.00 0.00 O ATOM 1063 CB GLU A 61 10.268 -9.891 -2.896 1.00 0.00 C ATOM 1064 CG GLU A 61 8.840 -10.004 -2.361 1.00 0.00 C ATOM 1065 CD GLU A 61 7.877 -10.360 -3.492 1.00 0.00 C ATOM 1066 OE1 GLU A 61 7.437 -9.454 -4.241 1.00 0.00 O ATOM 1067 OE2 GLU A 61 7.571 -11.566 -3.654 1.00 0.00 O ATOM 0 H GLU A 61 10.756 -7.835 -1.556 1.00 0.00 H new ATOM 0 HA GLU A 61 11.135 -10.529 -1.047 1.00 0.00 H new ATOM 0 HB2 GLU A 61 10.331 -9.006 -3.529 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.467 -10.753 -3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.795 -10.766 -1.583 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.541 -9.062 -1.902 1.00 0.00 H new ATOM 1074 N LEU A 62 13.399 -9.224 -3.135 1.00 0.00 N ATOM 1075 CA LEU A 62 14.700 -9.492 -3.731 1.00 0.00 C ATOM 1076 C LEU A 62 15.851 -9.148 -2.778 1.00 0.00 C ATOM 1077 O LEU A 62 17.010 -9.428 -3.092 1.00 0.00 O ATOM 1078 CB LEU A 62 14.904 -8.664 -5.004 1.00 0.00 C ATOM 1079 CG LEU A 62 13.701 -8.272 -5.886 1.00 0.00 C ATOM 1080 CD1 LEU A 62 12.502 -9.225 -5.950 1.00 0.00 C ATOM 1081 CD2 LEU A 62 13.281 -6.825 -5.642 1.00 0.00 C ATOM 0 H LEU A 62 13.054 -8.276 -3.286 1.00 0.00 H new ATOM 0 HA LEU A 62 14.711 -10.558 -3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.402 -7.740 -4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.601 -9.214 -5.637 1.00 0.00 H new ATOM 0 HG LEU A 62 14.106 -8.377 -6.893 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.741 -8.809 -6.610 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.826 -10.192 -6.334 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.085 -9.353 -4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.431 -6.581 -6.279 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.999 -6.699 -4.597 1.00 0.00 H new ATOM 0 HD23 LEU A 62 14.113 -6.160 -5.876 1.00 0.00 H new ATOM 1093 N GLY A 63 15.580 -8.454 -1.675 1.00 0.00 N ATOM 1094 CA GLY A 63 16.604 -7.909 -0.803 1.00 0.00 C ATOM 1095 C GLY A 63 17.259 -6.661 -1.367 1.00 0.00 C ATOM 1096 O GLY A 63 18.483 -6.515 -1.311 1.00 0.00 O ATOM 0 H GLY A 63 14.630 -8.255 -1.363 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.162 -7.675 0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 63 17.368 -8.667 -0.630 1.00 0.00 H new ATOM 1100 N ILE A 64 16.470 -5.743 -1.910 1.00 0.00 N ATOM 1101 CA ILE A 64 16.852 -4.381 -2.185 1.00 0.00 C ATOM 1102 C ILE A 64 16.758 -3.552 -0.895 1.00 0.00 C ATOM 1103 O ILE A 64 17.508 -2.598 -0.689 1.00 0.00 O ATOM 1104 CB ILE A 64 15.905 -3.841 -3.267 1.00 0.00 C ATOM 1105 CG1 ILE A 64 15.792 -4.736 -4.507 1.00 0.00 C ATOM 1106 CG2 ILE A 64 16.280 -2.427 -3.673 1.00 0.00 C ATOM 1107 CD1 ILE A 64 17.082 -5.025 -5.275 1.00 0.00 C ATOM 0 H ILE A 64 15.507 -5.945 -2.179 1.00 0.00 H new ATOM 0 HA ILE A 64 17.881 -4.322 -2.541 1.00 0.00 H new ATOM 0 HB ILE A 64 14.919 -3.836 -2.803 1.00 0.00 H new ATOM 0 HG12 ILE A 64 15.361 -5.688 -4.199 1.00 0.00 H new ATOM 0 HG13 ILE A 64 15.085 -4.273 -5.195 1.00 0.00 H new ATOM 0 HG21 ILE A 64 15.591 -2.074 -4.440 1.00 0.00 H new ATOM 0 HG22 ILE A 64 16.223 -1.772 -2.804 1.00 0.00 H new ATOM 0 HG23 ILE A 64 17.296 -2.419 -4.067 1.00 0.00 H new ATOM 0 HD11 ILE A 64 16.862 -5.668 -6.127 1.00 0.00 H new ATOM 0 HD12 ILE A 64 17.512 -4.088 -5.629 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.793 -5.525 -4.617 1.00 0.00 H new