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 Set 1.1: A 39 ASN : amide:sc= 0.486 K(o=1.8,f=-9.8!) USER MOD Set 1.2: A 41 SER OG : rot 84:sc= 1.3 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.798 K(o=0.8,f=0.29) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.0077) 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 X(o=0,f=-0.013) USER MOD Single : A 26 MET CE :methyl -176:sc= 0 (180deg=-0.0165) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 34 MET CE :methyl -177:sc= 0 (180deg=-0.00634) USER MOD Single : A 36 GLN : amide:sc= 0.197 X(o=0.2,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : 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 76:sc= 0.388 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc=-0.00417 (180deg=-0.00417) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 98:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 40 N ALA A 3 11.677 4.928 3.847 1.00 0.00 N ATOM 41 CA ALA A 3 10.836 4.081 4.677 1.00 0.00 C ATOM 42 C ALA A 3 11.118 4.375 6.143 1.00 0.00 C ATOM 43 O ALA A 3 10.480 5.234 6.730 1.00 0.00 O ATOM 44 CB ALA A 3 11.005 2.606 4.299 1.00 0.00 C ATOM 0 HA ALA A 3 9.784 4.306 4.501 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.366 1.992 4.934 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.725 2.463 3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.045 2.311 4.439 1.00 0.00 H new ATOM 50 N SER A 4 12.070 3.640 6.721 1.00 0.00 N ATOM 51 CA SER A 4 12.470 3.607 8.128 1.00 0.00 C ATOM 52 C SER A 4 11.374 3.246 9.139 1.00 0.00 C ATOM 53 O SER A 4 11.690 2.837 10.252 1.00 0.00 O ATOM 54 CB SER A 4 13.174 4.913 8.505 1.00 0.00 C ATOM 55 OG SER A 4 14.188 5.252 7.569 1.00 0.00 O ATOM 0 H SER A 4 12.631 2.994 6.165 1.00 0.00 H new ATOM 0 HA SER A 4 13.162 2.768 8.202 1.00 0.00 H new ATOM 0 HB2 SER A 4 12.442 5.719 8.557 1.00 0.00 H new ATOM 0 HB3 SER A 4 13.613 4.816 9.498 1.00 0.00 H new ATOM 0 HG SER A 4 14.615 6.091 7.839 1.00 0.00 H new ATOM 61 N GLU A 5 10.108 3.251 8.736 1.00 0.00 N ATOM 62 CA GLU A 5 8.980 2.671 9.459 1.00 0.00 C ATOM 63 C GLU A 5 8.493 1.457 8.666 1.00 0.00 C ATOM 64 O GLU A 5 8.369 0.357 9.191 1.00 0.00 O ATOM 65 CB GLU A 5 7.902 3.742 9.728 1.00 0.00 C ATOM 66 CG GLU A 5 7.443 4.554 8.502 1.00 0.00 C ATOM 67 CD GLU A 5 6.627 5.796 8.881 1.00 0.00 C ATOM 68 OE1 GLU A 5 5.438 5.676 9.249 1.00 0.00 O ATOM 69 OE2 GLU A 5 7.175 6.920 8.760 1.00 0.00 O ATOM 0 H GLU A 5 9.826 3.680 7.854 1.00 0.00 H new ATOM 0 HA GLU A 5 9.268 2.320 10.450 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.031 3.252 10.163 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.285 4.435 10.477 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.317 4.861 7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.843 3.915 7.853 1.00 0.00 H new ATOM 76 N LEU A 6 8.332 1.622 7.356 1.00 0.00 N ATOM 77 CA LEU A 6 7.717 0.631 6.478 1.00 0.00 C ATOM 78 C LEU A 6 8.649 -0.505 6.061 1.00 0.00 C ATOM 79 O LEU A 6 8.219 -1.443 5.393 1.00 0.00 O ATOM 80 CB LEU A 6 7.255 1.394 5.230 1.00 0.00 C ATOM 81 CG LEU A 6 5.900 2.130 5.363 1.00 0.00 C ATOM 82 CD1 LEU A 6 5.694 3.003 4.120 1.00 0.00 C ATOM 83 CD2 LEU A 6 4.669 1.239 5.591 1.00 0.00 C ATOM 0 H LEU A 6 8.631 2.465 6.865 1.00 0.00 H new ATOM 0 HA LEU A 6 6.903 0.149 7.019 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.021 2.124 4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.187 0.691 4.400 1.00 0.00 H new ATOM 0 HG LEU A 6 5.973 2.722 6.275 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.742 3.529 4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.504 3.728 4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.688 2.374 3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.778 1.862 5.669 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.558 0.550 4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.796 0.671 6.513 1.00 0.00 H new ATOM 95 N ARG A 7 9.932 -0.431 6.410 1.00 0.00 N ATOM 96 CA ARG A 7 10.838 -1.567 6.432 1.00 0.00 C ATOM 97 C ARG A 7 10.946 -2.207 7.820 1.00 0.00 C ATOM 98 O ARG A 7 11.585 -3.244 7.956 1.00 0.00 O ATOM 99 CB ARG A 7 12.203 -1.071 5.945 1.00 0.00 C ATOM 100 CG ARG A 7 12.926 -0.056 6.850 1.00 0.00 C ATOM 101 CD ARG A 7 13.785 -0.702 7.961 1.00 0.00 C ATOM 102 NE ARG A 7 15.224 -0.661 7.662 1.00 0.00 N ATOM 103 CZ ARG A 7 16.201 -1.209 8.400 1.00 0.00 C ATOM 104 NH1 ARG A 7 15.943 -2.087 9.363 1.00 0.00 N ATOM 105 NH2 ARG A 7 17.459 -0.850 8.168 1.00 0.00 N ATOM 0 H ARG A 7 10.376 0.443 6.691 1.00 0.00 H new ATOM 0 HA ARG A 7 10.453 -2.351 5.780 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.854 -1.936 5.814 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.071 -0.619 4.962 1.00 0.00 H new ATOM 0 HG2 ARG A 7 13.565 0.575 6.232 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.184 0.596 7.312 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.599 -0.187 8.904 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.476 -1.738 8.097 1.00 0.00 H new ATOM 0 HE ARG A 7 15.506 -0.170 6.814 1.00 0.00 H new ATOM 0 HH11 ARG A 7 14.980 -2.362 9.558 1.00 0.00 H new ATOM 0 HH12 ARG A 7 16.708 -2.486 9.907 1.00 0.00 H new ATOM 0 HH21 ARG A 7 17.669 -0.168 7.439 1.00 0.00 H new ATOM 0 HH22 ARG A 7 18.215 -1.256 8.719 1.00 0.00 H new ATOM 119 N ASN A 8 10.425 -1.520 8.834 1.00 0.00 N ATOM 120 CA ASN A 8 10.838 -1.641 10.240 1.00 0.00 C ATOM 121 C ASN A 8 9.964 -2.605 11.042 1.00 0.00 C ATOM 122 O ASN A 8 10.429 -3.164 12.031 1.00 0.00 O ATOM 123 CB ASN A 8 10.812 -0.247 10.897 1.00 0.00 C ATOM 124 CG ASN A 8 11.727 -0.091 12.108 1.00 0.00 C ATOM 125 OD1 ASN A 8 12.165 -1.046 12.720 1.00 0.00 O ATOM 126 ND2 ASN A 8 12.141 1.124 12.434 1.00 0.00 N ATOM 0 H ASN A 8 9.678 -0.839 8.700 1.00 0.00 H new ATOM 0 HA ASN A 8 11.847 -2.054 10.246 1.00 0.00 H new ATOM 0 HB2 ASN A 8 11.092 0.496 10.150 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.789 -0.024 11.201 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.817 1.247 13.188 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.784 1.936 11.931 1.00 0.00 H new ATOM 133 N TYR A 9 8.718 -2.839 10.625 1.00 0.00 N ATOM 134 CA TYR A 9 7.913 -3.939 11.104 1.00 0.00 C ATOM 135 C TYR A 9 8.614 -5.280 10.850 1.00 0.00 C ATOM 136 O TYR A 9 9.604 -5.328 10.118 1.00 0.00 O ATOM 137 CB TYR A 9 6.537 -3.799 10.452 1.00 0.00 C ATOM 138 CG TYR A 9 5.692 -2.724 11.077 1.00 0.00 C ATOM 139 CD1 TYR A 9 4.974 -2.977 12.258 1.00 0.00 C ATOM 140 CD2 TYR A 9 5.603 -1.474 10.440 1.00 0.00 C ATOM 141 CE1 TYR A 9 4.103 -1.999 12.765 1.00 0.00 C ATOM 142 CE2 TYR A 9 4.717 -0.509 10.939 1.00 0.00 C ATOM 143 CZ TYR A 9 3.959 -0.766 12.095 1.00 0.00 C ATOM 144 OH TYR A 9 3.113 0.194 12.543 1.00 0.00 O ATOM 0 H TYR A 9 8.243 -2.256 9.936 1.00 0.00 H new ATOM 0 HA TYR A 9 7.779 -3.914 12.185 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.665 -3.581 9.392 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.011 -4.751 10.520 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.091 -3.919 12.773 1.00 0.00 H new ATOM 0 HD2 TYR A 9 6.212 -1.259 9.574 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.543 -2.191 13.668 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.616 0.439 10.432 1.00 0.00 H new ATOM 0 HH TYR A 9 3.155 0.971 11.947 1.00 0.00 H new ATOM 154 N THR A 10 8.130 -6.360 11.461 1.00 0.00 N ATOM 155 CA THR A 10 8.674 -7.681 11.176 1.00 0.00 C ATOM 156 C THR A 10 8.235 -8.156 9.795 1.00 0.00 C ATOM 157 O THR A 10 7.267 -7.632 9.266 1.00 0.00 O ATOM 158 CB THR A 10 8.208 -8.692 12.211 1.00 0.00 C ATOM 159 OG1 THR A 10 6.801 -8.710 12.339 1.00 0.00 O ATOM 160 CG2 THR A 10 8.802 -8.450 13.597 1.00 0.00 C ATOM 0 H THR A 10 7.374 -6.346 12.146 1.00 0.00 H new ATOM 0 HA THR A 10 9.761 -7.603 11.209 1.00 0.00 H new ATOM 0 HB THR A 10 8.563 -9.652 11.836 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.542 -9.374 13.012 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.430 -9.205 14.289 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.889 -8.511 13.543 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.512 -7.460 13.950 1.00 0.00 H new ATOM 168 N ASP A 11 8.879 -9.170 9.206 1.00 0.00 N ATOM 169 CA ASP A 11 8.572 -9.615 7.836 1.00 0.00 C ATOM 170 C ASP A 11 7.081 -9.917 7.648 1.00 0.00 C ATOM 171 O ASP A 11 6.525 -9.597 6.598 1.00 0.00 O ATOM 172 CB ASP A 11 9.414 -10.832 7.448 1.00 0.00 C ATOM 173 CG ASP A 11 10.872 -10.476 7.150 1.00 0.00 C ATOM 174 OD1 ASP A 11 11.181 -9.669 6.242 1.00 0.00 O ATOM 175 OD2 ASP A 11 11.760 -11.052 7.822 1.00 0.00 O ATOM 0 H ASP A 11 9.622 -9.703 9.658 1.00 0.00 H new ATOM 0 HA ASP A 11 8.828 -8.789 7.173 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.381 -11.563 8.256 1.00 0.00 H new ATOM 0 HB3 ASP A 11 8.975 -11.307 6.571 1.00 0.00 H new ATOM 180 N GLU A 12 6.439 -10.472 8.680 1.00 0.00 N ATOM 181 CA GLU A 12 4.991 -10.614 8.781 1.00 0.00 C ATOM 182 C GLU A 12 4.304 -9.244 8.783 1.00 0.00 C ATOM 183 O GLU A 12 3.499 -8.955 7.906 1.00 0.00 O ATOM 184 CB GLU A 12 4.615 -11.386 10.058 1.00 0.00 C ATOM 185 CG GLU A 12 3.098 -11.629 10.127 1.00 0.00 C ATOM 186 CD GLU A 12 2.580 -11.705 11.561 1.00 0.00 C ATOM 187 OE1 GLU A 12 2.607 -12.805 12.164 1.00 0.00 O ATOM 188 OE2 GLU A 12 2.069 -10.685 12.075 1.00 0.00 O ATOM 0 H GLU A 12 6.932 -10.845 9.491 1.00 0.00 H new ATOM 0 HA GLU A 12 4.648 -11.173 7.911 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.141 -12.340 10.079 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.938 -10.825 10.935 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.581 -10.827 9.600 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.859 -12.557 9.608 1.00 0.00 H new ATOM 195 N GLU A 13 4.568 -8.416 9.791 1.00 0.00 N ATOM 196 CA GLU A 13 3.876 -7.148 10.016 1.00 0.00 C ATOM 197 C GLU A 13 4.129 -6.135 8.908 1.00 0.00 C ATOM 198 O GLU A 13 3.434 -5.132 8.799 1.00 0.00 O ATOM 199 CB GLU A 13 4.303 -6.580 11.372 1.00 0.00 C ATOM 200 CG GLU A 13 3.588 -7.346 12.498 1.00 0.00 C ATOM 201 CD GLU A 13 3.036 -6.431 13.585 1.00 0.00 C ATOM 202 OE1 GLU A 13 3.827 -5.678 14.197 1.00 0.00 O ATOM 203 OE2 GLU A 13 1.822 -6.528 13.882 1.00 0.00 O ATOM 0 H GLU A 13 5.285 -8.612 10.490 1.00 0.00 H new ATOM 0 HA GLU A 13 2.804 -7.345 10.011 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.383 -6.664 11.490 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.058 -5.519 11.427 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.771 -7.928 12.072 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.284 -8.055 12.947 1.00 0.00 H new ATOM 210 N LEU A 14 5.129 -6.372 8.073 1.00 0.00 N ATOM 211 CA LEU A 14 5.325 -5.672 6.836 1.00 0.00 C ATOM 212 C LEU A 14 4.220 -6.126 5.905 1.00 0.00 C ATOM 213 O LEU A 14 3.282 -5.363 5.692 1.00 0.00 O ATOM 214 CB LEU A 14 6.768 -5.883 6.340 1.00 0.00 C ATOM 215 CG LEU A 14 7.809 -5.320 7.340 1.00 0.00 C ATOM 216 CD1 LEU A 14 9.187 -5.969 7.202 1.00 0.00 C ATOM 217 CD2 LEU A 14 7.988 -3.811 7.302 1.00 0.00 C ATOM 0 H LEU A 14 5.841 -7.080 8.253 1.00 0.00 H new ATOM 0 HA LEU A 14 5.242 -4.589 6.923 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.948 -6.947 6.189 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.894 -5.398 5.372 1.00 0.00 H new ATOM 0 HG LEU A 14 7.370 -5.580 8.303 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.870 -5.531 7.930 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.104 -7.041 7.381 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.571 -5.798 6.196 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.736 -3.515 8.037 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.316 -3.508 6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.040 -3.326 7.534 1.00 0.00 H new ATOM 229 N LYS A 15 4.258 -7.345 5.366 1.00 0.00 N ATOM 230 CA LYS A 15 3.286 -7.790 4.385 1.00 0.00 C ATOM 231 C LYS A 15 1.879 -7.594 4.890 1.00 0.00 C ATOM 232 O LYS A 15 1.076 -7.070 4.143 1.00 0.00 O ATOM 233 CB LYS A 15 3.539 -9.222 3.911 1.00 0.00 C ATOM 234 CG LYS A 15 3.634 -10.355 4.955 1.00 0.00 C ATOM 235 CD LYS A 15 2.287 -10.981 5.375 1.00 0.00 C ATOM 236 CE LYS A 15 2.032 -12.347 4.721 1.00 0.00 C ATOM 237 NZ LYS A 15 2.759 -13.453 5.383 1.00 0.00 N ATOM 0 H LYS A 15 4.963 -8.044 5.600 1.00 0.00 H new ATOM 0 HA LYS A 15 3.409 -7.162 3.503 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.742 -9.483 3.215 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.469 -9.220 3.343 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.273 -11.143 4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.128 -9.966 5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.267 -11.094 6.459 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.478 -10.300 5.110 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.963 -12.559 4.742 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.328 -12.302 3.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.547 -14.348 4.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.782 -13.270 5.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.460 -13.519 6.377 1.00 0.00 H new ATOM 251 N ASN A 16 1.591 -7.899 6.146 1.00 0.00 N ATOM 252 CA ASN A 16 0.256 -7.802 6.720 1.00 0.00 C ATOM 253 C ASN A 16 -0.254 -6.363 6.832 1.00 0.00 C ATOM 254 O ASN A 16 -1.440 -6.150 7.100 1.00 0.00 O ATOM 255 CB ASN A 16 0.306 -8.454 8.109 1.00 0.00 C ATOM 256 CG ASN A 16 -1.053 -8.925 8.592 1.00 0.00 C ATOM 257 OD1 ASN A 16 -1.675 -9.761 7.943 1.00 0.00 O ATOM 258 ND2 ASN A 16 -1.503 -8.496 9.756 1.00 0.00 N ATOM 0 H ASN A 16 2.293 -8.228 6.809 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.443 -8.311 6.057 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.990 -9.302 8.082 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.713 -7.740 8.825 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.380 -8.859 10.129 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -0.974 -7.801 10.283 1.00 0.00 H new ATOM 265 N LEU A 17 0.612 -5.370 6.611 1.00 0.00 N ATOM 266 CA LEU A 17 0.217 -3.957 6.540 1.00 0.00 C ATOM 267 C LEU A 17 0.191 -3.530 5.081 1.00 0.00 C ATOM 268 O LEU A 17 -0.746 -2.878 4.628 1.00 0.00 O ATOM 269 CB LEU A 17 1.192 -3.046 7.309 1.00 0.00 C ATOM 270 CG LEU A 17 0.675 -2.544 8.677 1.00 0.00 C ATOM 271 CD1 LEU A 17 1.029 -3.487 9.830 1.00 0.00 C ATOM 272 CD2 LEU A 17 1.254 -1.162 9.003 1.00 0.00 C ATOM 0 H LEU A 17 1.611 -5.522 6.475 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.767 -3.857 6.998 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.125 -3.588 7.466 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.426 -2.182 6.687 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.410 -2.499 8.584 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.640 -3.082 10.764 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.587 -4.467 9.648 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.112 -3.585 9.900 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.877 -0.828 9.970 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.342 -1.222 9.039 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.956 -0.451 8.232 1.00 0.00 H new ATOM 284 N LEU A 18 1.228 -3.887 4.327 1.00 0.00 N ATOM 285 CA LEU A 18 1.398 -3.419 2.963 1.00 0.00 C ATOM 286 C LEU A 18 0.328 -4.047 2.080 1.00 0.00 C ATOM 287 O LEU A 18 -0.150 -3.412 1.131 1.00 0.00 O ATOM 288 CB LEU A 18 2.808 -3.731 2.411 1.00 0.00 C ATOM 289 CG LEU A 18 4.048 -3.602 3.332 1.00 0.00 C ATOM 290 CD1 LEU A 18 5.312 -3.352 2.518 1.00 0.00 C ATOM 291 CD2 LEU A 18 3.968 -2.578 4.482 1.00 0.00 C ATOM 0 H LEU A 18 1.971 -4.508 4.648 1.00 0.00 H new ATOM 0 HA LEU A 18 1.291 -2.334 2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.789 -4.754 2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.972 -3.078 1.554 1.00 0.00 H new ATOM 0 HG LEU A 18 4.077 -4.571 3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.166 -3.266 3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.473 -4.183 1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.202 -2.428 1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.901 -2.591 5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.806 -1.581 4.071 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.141 -2.837 5.143 1.00 0.00 H new ATOM 303 N GLU A 19 -0.070 -5.274 2.417 1.00 0.00 N ATOM 304 CA GLU A 19 -1.226 -5.922 1.821 1.00 0.00 C ATOM 305 C GLU A 19 -2.521 -5.156 2.088 1.00 0.00 C ATOM 306 O GLU A 19 -3.378 -5.121 1.205 1.00 0.00 O ATOM 307 CB GLU A 19 -1.327 -7.372 2.295 1.00 0.00 C ATOM 308 CG GLU A 19 -1.958 -7.612 3.670 1.00 0.00 C ATOM 309 CD GLU A 19 -1.994 -9.115 3.981 1.00 0.00 C ATOM 310 OE1 GLU A 19 -1.088 -9.864 3.536 1.00 0.00 O ATOM 311 OE2 GLU A 19 -2.969 -9.562 4.626 1.00 0.00 O ATOM 0 H GLU A 19 0.407 -5.845 3.115 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.084 -5.921 0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.902 -7.931 1.556 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.323 -7.796 2.304 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.387 -7.088 4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.969 -7.204 3.691 1.00 0.00 H new ATOM 318 N GLU A 20 -2.666 -4.536 3.267 1.00 0.00 N ATOM 319 CA GLU A 20 -3.847 -3.756 3.626 1.00 0.00 C ATOM 320 C GLU A 20 -3.974 -2.563 2.679 1.00 0.00 C ATOM 321 O GLU A 20 -5.018 -2.352 2.071 1.00 0.00 O ATOM 322 CB GLU A 20 -3.830 -3.307 5.095 1.00 0.00 C ATOM 323 CG GLU A 20 -5.190 -2.746 5.542 1.00 0.00 C ATOM 324 CD GLU A 20 -6.315 -3.784 5.541 1.00 0.00 C ATOM 325 OE1 GLU A 20 -6.123 -4.875 6.125 1.00 0.00 O ATOM 326 OE2 GLU A 20 -7.401 -3.519 4.982 1.00 0.00 O ATOM 0 H GLU A 20 -1.958 -4.565 4.001 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.723 -4.396 3.518 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.560 -4.152 5.729 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.061 -2.547 5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.090 -2.333 6.546 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.467 -1.922 4.884 1.00 0.00 H new ATOM 333 N LYS A 21 -2.897 -1.810 2.469 1.00 0.00 N ATOM 334 CA LYS A 21 -2.863 -0.723 1.519 1.00 0.00 C ATOM 335 C LYS A 21 -3.180 -1.300 0.134 1.00 0.00 C ATOM 336 O LYS A 21 -4.138 -0.854 -0.501 1.00 0.00 O ATOM 337 CB LYS A 21 -1.511 0.000 1.692 1.00 0.00 C ATOM 338 CG LYS A 21 -1.314 0.594 3.106 1.00 0.00 C ATOM 339 CD LYS A 21 -2.316 1.653 3.605 1.00 0.00 C ATOM 340 CE LYS A 21 -2.177 3.043 2.955 1.00 0.00 C ATOM 341 NZ LYS A 21 -2.861 4.076 3.767 1.00 0.00 N ATOM 0 H LYS A 21 -2.016 -1.947 2.965 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.617 0.048 1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.702 -0.701 1.483 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.437 0.800 0.955 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.324 -0.232 3.817 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.318 1.036 3.144 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.327 1.286 3.428 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.200 1.760 4.684 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.122 3.296 2.850 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.601 3.024 1.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.754 5.004 3.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.872 3.843 3.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.438 4.107 4.717 1.00 0.00 H new ATOM 355 N LYS A 22 -2.422 -2.282 -0.376 1.00 0.00 N ATOM 356 CA LYS A 22 -2.709 -2.898 -1.676 1.00 0.00 C ATOM 357 C LYS A 22 -4.179 -3.306 -1.846 1.00 0.00 C ATOM 358 O LYS A 22 -4.717 -3.037 -2.924 1.00 0.00 O ATOM 359 CB LYS A 22 -1.724 -4.062 -1.916 1.00 0.00 C ATOM 360 CG LYS A 22 -1.807 -4.642 -3.341 1.00 0.00 C ATOM 361 CD LYS A 22 -0.708 -5.676 -3.663 1.00 0.00 C ATOM 362 CE LYS A 22 -1.109 -7.153 -3.501 1.00 0.00 C ATOM 363 NZ LYS A 22 -1.344 -7.558 -2.101 1.00 0.00 N ATOM 0 H LYS A 22 -1.603 -2.666 0.096 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.554 -2.148 -2.451 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.708 -3.714 -1.731 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.926 -4.855 -1.196 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.782 -5.110 -3.475 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.744 -3.824 -4.059 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.378 -5.519 -4.690 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.149 -5.479 -3.019 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.014 -7.339 -4.080 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.325 -7.781 -3.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.610 -8.563 -2.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.476 -7.412 -1.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.112 -6.985 -1.698 1.00 0.00 H new ATOM 377 N ARG A 23 -4.836 -3.904 -0.842 1.00 0.00 N ATOM 378 CA ARG A 23 -6.249 -4.267 -0.958 1.00 0.00 C ATOM 379 C ARG A 23 -7.101 -3.016 -0.984 1.00 0.00 C ATOM 380 O ARG A 23 -7.891 -2.880 -1.911 1.00 0.00 O ATOM 381 CB ARG A 23 -6.729 -5.269 0.112 1.00 0.00 C ATOM 382 CG ARG A 23 -6.827 -4.792 1.560 1.00 0.00 C ATOM 383 CD ARG A 23 -7.262 -5.883 2.536 1.00 0.00 C ATOM 384 NE ARG A 23 -8.646 -6.340 2.323 1.00 0.00 N ATOM 385 CZ ARG A 23 -9.153 -7.466 2.836 1.00 0.00 C ATOM 386 NH1 ARG A 23 -8.377 -8.290 3.546 1.00 0.00 N ATOM 387 NH2 ARG A 23 -10.436 -7.760 2.665 1.00 0.00 N ATOM 0 H ARG A 23 -4.411 -4.144 0.054 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.363 -4.798 -1.903 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.714 -5.628 -0.187 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.057 -6.127 0.089 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.858 -4.403 1.872 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.535 -3.965 1.614 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.588 -6.734 2.442 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.163 -5.509 3.555 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.257 -5.760 1.747 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.395 -8.061 3.698 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.767 -9.148 3.936 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.039 -7.126 2.141 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.819 -8.620 3.058 1.00 0.00 H new ATOM 401 N GLN A 24 -6.906 -2.104 -0.028 1.00 0.00 N ATOM 402 CA GLN A 24 -7.685 -0.902 0.181 1.00 0.00 C ATOM 403 C GLN A 24 -7.920 -0.196 -1.136 1.00 0.00 C ATOM 404 O GLN A 24 -9.064 0.065 -1.474 1.00 0.00 O ATOM 405 CB GLN A 24 -6.977 0.021 1.168 1.00 0.00 C ATOM 406 CG GLN A 24 -7.399 -0.272 2.612 1.00 0.00 C ATOM 407 CD GLN A 24 -8.208 0.875 3.220 1.00 0.00 C ATOM 408 OE1 GLN A 24 -7.732 2.008 3.340 1.00 0.00 O ATOM 409 NE2 GLN A 24 -9.455 0.618 3.570 1.00 0.00 N ATOM 0 H GLN A 24 -6.154 -2.199 0.655 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.652 -1.178 0.601 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.898 -0.100 1.071 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.204 1.059 0.925 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.992 -1.186 2.637 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.512 -0.451 3.219 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.831 -0.324 3.463 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.043 1.362 3.947 1.00 0.00 H new ATOM 418 N LEU A 25 -6.865 0.061 -1.915 1.00 0.00 N ATOM 419 CA LEU A 25 -7.014 0.713 -3.211 1.00 0.00 C ATOM 420 C LEU A 25 -8.030 -0.017 -4.093 1.00 0.00 C ATOM 421 O LEU A 25 -8.940 0.608 -4.639 1.00 0.00 O ATOM 422 CB LEU A 25 -5.640 0.774 -3.893 1.00 0.00 C ATOM 423 CG LEU A 25 -5.703 1.253 -5.359 1.00 0.00 C ATOM 424 CD1 LEU A 25 -5.901 2.766 -5.397 1.00 0.00 C ATOM 425 CD2 LEU A 25 -4.426 0.875 -6.108 1.00 0.00 C ATOM 0 H LEU A 25 -5.903 -0.173 -1.668 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.395 1.723 -3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.992 1.443 -3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.183 -0.215 -3.861 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.545 0.764 -5.849 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.945 3.101 -6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.832 3.024 -4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.067 3.255 -4.893 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.493 1.222 -7.139 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.568 1.341 -5.623 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.305 -0.208 -6.097 1.00 0.00 H new ATOM 437 N MET A 26 -7.835 -1.323 -4.277 1.00 0.00 N ATOM 438 CA MET A 26 -8.664 -2.150 -5.148 1.00 0.00 C ATOM 439 C MET A 26 -10.103 -2.281 -4.628 1.00 0.00 C ATOM 440 O MET A 26 -11.017 -2.543 -5.408 1.00 0.00 O ATOM 441 CB MET A 26 -8.013 -3.526 -5.326 1.00 0.00 C ATOM 442 CG MET A 26 -6.600 -3.372 -5.903 1.00 0.00 C ATOM 443 SD MET A 26 -5.852 -4.869 -6.589 1.00 0.00 S ATOM 444 CE MET A 26 -5.938 -5.978 -5.155 1.00 0.00 C ATOM 0 H MET A 26 -7.086 -1.841 -3.818 1.00 0.00 H new ATOM 0 HA MET A 26 -8.730 -1.657 -6.118 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.968 -4.042 -4.367 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.620 -4.141 -5.991 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.630 -2.614 -6.686 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.948 -2.992 -5.116 1.00 0.00 H new ATOM 0 HE1 MET A 26 -5.450 -6.922 -5.396 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.434 -5.515 -4.306 1.00 0.00 H new ATOM 0 HE3 MET A 26 -6.982 -6.164 -4.901 1.00 0.00 H new ATOM 454 N GLU A 27 -10.308 -2.063 -3.334 1.00 0.00 N ATOM 455 CA GLU A 27 -11.553 -2.243 -2.609 1.00 0.00 C ATOM 456 C GLU A 27 -12.399 -0.977 -2.562 1.00 0.00 C ATOM 457 O GLU A 27 -13.618 -0.980 -2.706 1.00 0.00 O ATOM 458 CB GLU A 27 -11.171 -2.620 -1.180 1.00 0.00 C ATOM 459 CG GLU A 27 -11.581 -4.050 -0.937 1.00 0.00 C ATOM 460 CD GLU A 27 -10.710 -4.796 0.075 1.00 0.00 C ATOM 461 OE1 GLU A 27 -10.646 -4.397 1.261 1.00 0.00 O ATOM 462 OE2 GLU A 27 -10.146 -5.851 -0.302 1.00 0.00 O ATOM 0 H GLU A 27 -9.557 -1.734 -2.727 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.148 -3.005 -3.112 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.097 -2.503 -1.032 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.665 -1.958 -0.469 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.614 -4.064 -0.589 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.556 -4.588 -1.885 1.00 0.00 H new ATOM 469 N LEU A 28 -11.735 0.128 -2.294 1.00 0.00 N ATOM 470 CA LEU A 28 -12.213 1.485 -2.460 1.00 0.00 C ATOM 471 C LEU A 28 -12.728 1.646 -3.884 1.00 0.00 C ATOM 472 O LEU A 28 -13.917 1.889 -4.093 1.00 0.00 O ATOM 473 CB LEU A 28 -11.088 2.456 -2.097 1.00 0.00 C ATOM 474 CG LEU A 28 -10.977 2.874 -0.615 1.00 0.00 C ATOM 475 CD1 LEU A 28 -11.281 1.783 0.414 1.00 0.00 C ATOM 476 CD2 LEU A 28 -9.558 3.387 -0.359 1.00 0.00 C ATOM 0 H LEU A 28 -10.783 0.100 -1.930 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.045 1.710 -1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.141 2.005 -2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.212 3.358 -2.696 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.746 3.634 -0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.172 2.190 1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.302 1.427 0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.586 0.954 0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.462 3.687 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.840 2.596 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.359 4.244 -1.002 1.00 0.00 H new ATOM 488 N ARG A 29 -11.881 1.430 -4.893 1.00 0.00 N ATOM 489 CA ARG A 29 -12.338 1.534 -6.286 1.00 0.00 C ATOM 490 C ARG A 29 -13.474 0.553 -6.590 1.00 0.00 C ATOM 491 O ARG A 29 -14.259 0.799 -7.504 1.00 0.00 O ATOM 492 CB ARG A 29 -11.193 1.399 -7.300 1.00 0.00 C ATOM 493 CG ARG A 29 -10.722 -0.046 -7.482 1.00 0.00 C ATOM 494 CD ARG A 29 -9.702 -0.187 -8.617 1.00 0.00 C ATOM 495 NE ARG A 29 -9.472 -1.588 -9.022 1.00 0.00 N ATOM 496 CZ ARG A 29 -10.327 -2.403 -9.658 1.00 0.00 C ATOM 497 NH1 ARG A 29 -11.580 -2.035 -9.909 1.00 0.00 N ATOM 498 NH2 ARG A 29 -9.892 -3.593 -10.045 1.00 0.00 N ATOM 0 H ARG A 29 -10.897 1.187 -4.780 1.00 0.00 H new ATOM 0 HA ARG A 29 -12.735 2.543 -6.398 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.519 1.793 -8.263 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.352 2.011 -6.974 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.278 -0.401 -6.552 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.582 -0.683 -7.688 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.048 0.382 -9.480 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.756 0.254 -8.303 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.559 -1.981 -8.792 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -11.910 -1.115 -9.616 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -12.211 -2.673 -10.394 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.928 -3.870 -9.857 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.521 -4.233 -10.531 1.00 0.00 H new ATOM 512 N PHE A 30 -13.557 -0.551 -5.848 1.00 0.00 N ATOM 513 CA PHE A 30 -14.614 -1.524 -5.993 1.00 0.00 C ATOM 514 C PHE A 30 -15.930 -0.947 -5.466 1.00 0.00 C ATOM 515 O PHE A 30 -16.970 -1.257 -6.052 1.00 0.00 O ATOM 516 CB PHE A 30 -14.185 -2.839 -5.318 1.00 0.00 C ATOM 517 CG PHE A 30 -15.301 -3.800 -4.984 1.00 0.00 C ATOM 518 CD1 PHE A 30 -15.980 -4.486 -6.004 1.00 0.00 C ATOM 519 CD2 PHE A 30 -15.643 -4.025 -3.640 1.00 0.00 C ATOM 520 CE1 PHE A 30 -17.037 -5.356 -5.685 1.00 0.00 C ATOM 521 CE2 PHE A 30 -16.683 -4.910 -3.321 1.00 0.00 C ATOM 522 CZ PHE A 30 -17.396 -5.555 -4.342 1.00 0.00 C ATOM 0 H PHE A 30 -12.879 -0.788 -5.124 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.793 -1.757 -7.043 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.477 -3.347 -5.972 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.652 -2.597 -4.399 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -15.690 -4.345 -7.035 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.105 -3.517 -2.853 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -17.571 -5.870 -6.470 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -16.935 -5.095 -2.287 1.00 0.00 H new ATOM 0 HZ PHE A 30 -18.222 -6.205 -4.095 1.00 0.00 H new ATOM 532 N GLN A 31 -15.925 -0.057 -4.458 1.00 0.00 N ATOM 533 CA GLN A 31 -17.137 0.575 -3.998 1.00 0.00 C ATOM 534 C GLN A 31 -17.504 1.684 -4.958 1.00 0.00 C ATOM 535 O GLN A 31 -18.685 1.934 -5.156 1.00 0.00 O ATOM 536 CB GLN A 31 -16.931 1.141 -2.589 1.00 0.00 C ATOM 537 CG GLN A 31 -17.193 0.075 -1.523 1.00 0.00 C ATOM 538 CD GLN A 31 -17.825 0.695 -0.270 1.00 0.00 C ATOM 539 OE1 GLN A 31 -17.401 1.744 0.206 1.00 0.00 O ATOM 540 NE2 GLN A 31 -18.891 0.121 0.260 1.00 0.00 N ATOM 0 H GLN A 31 -15.084 0.230 -3.957 1.00 0.00 H new ATOM 0 HA GLN A 31 -17.944 -0.157 -3.960 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.912 1.516 -2.490 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -17.599 1.988 -2.433 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -17.853 -0.693 -1.926 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -16.257 -0.417 -1.257 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -19.248 -0.751 -0.131 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -19.356 0.550 1.060 1.00 0.00 H new ATOM 549 N LEU A 32 -16.517 2.341 -5.561 1.00 0.00 N ATOM 550 CA LEU A 32 -16.748 3.455 -6.467 1.00 0.00 C ATOM 551 C LEU A 32 -17.619 2.993 -7.618 1.00 0.00 C ATOM 552 O LEU A 32 -18.706 3.515 -7.846 1.00 0.00 O ATOM 553 CB LEU A 32 -15.401 3.997 -6.956 1.00 0.00 C ATOM 554 CG LEU A 32 -15.483 5.186 -7.918 1.00 0.00 C ATOM 555 CD1 LEU A 32 -15.866 4.850 -9.364 1.00 0.00 C ATOM 556 CD2 LEU A 32 -16.391 6.281 -7.348 1.00 0.00 C ATOM 0 H LEU A 32 -15.531 2.112 -5.432 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.270 4.263 -5.954 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.811 4.293 -6.089 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.860 3.189 -7.449 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.459 5.551 -7.992 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.894 5.765 -9.955 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.129 4.167 -9.786 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.848 4.378 -9.380 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.436 7.117 -8.046 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -17.393 5.880 -7.197 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.991 6.626 -6.395 1.00 0.00 H new ATOM 568 N ALA A 33 -17.131 1.964 -8.299 1.00 0.00 N ATOM 569 CA ALA A 33 -17.789 1.310 -9.410 1.00 0.00 C ATOM 570 C ALA A 33 -19.139 0.706 -9.013 1.00 0.00 C ATOM 571 O ALA A 33 -20.016 0.579 -9.870 1.00 0.00 O ATOM 572 CB ALA A 33 -16.851 0.223 -9.924 1.00 0.00 C ATOM 0 H ALA A 33 -16.226 1.549 -8.078 1.00 0.00 H new ATOM 0 HA ALA A 33 -18.000 2.047 -10.185 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.317 -0.292 -10.764 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.914 0.675 -10.249 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.651 -0.492 -9.126 1.00 0.00 H new ATOM 578 N MET A 34 -19.319 0.321 -7.747 1.00 0.00 N ATOM 579 CA MET A 34 -20.587 -0.156 -7.223 1.00 0.00 C ATOM 580 C MET A 34 -21.526 0.989 -6.807 1.00 0.00 C ATOM 581 O MET A 34 -22.699 0.745 -6.516 1.00 0.00 O ATOM 582 CB MET A 34 -20.299 -1.107 -6.056 1.00 0.00 C ATOM 583 CG MET A 34 -19.982 -2.522 -6.555 1.00 0.00 C ATOM 584 SD MET A 34 -21.387 -3.660 -6.412 1.00 0.00 S ATOM 585 CE MET A 34 -20.671 -5.172 -7.110 1.00 0.00 C ATOM 0 H MET A 34 -18.572 0.335 -7.052 1.00 0.00 H new ATOM 0 HA MET A 34 -21.117 -0.688 -8.013 1.00 0.00 H new ATOM 0 HB2 MET A 34 -19.459 -0.728 -5.474 1.00 0.00 H new ATOM 0 HB3 MET A 34 -21.161 -1.139 -5.389 1.00 0.00 H new ATOM 0 HG2 MET A 34 -19.668 -2.471 -7.598 1.00 0.00 H new ATOM 0 HG3 MET A 34 -19.141 -2.920 -5.988 1.00 0.00 H new ATOM 0 HE1 MET A 34 -21.430 -5.953 -7.142 1.00 0.00 H new ATOM 0 HE2 MET A 34 -20.313 -4.973 -8.120 1.00 0.00 H new ATOM 0 HE3 MET A 34 -19.838 -5.501 -6.489 1.00 0.00 H new ATOM 595 N GLY A 35 -21.030 2.226 -6.773 1.00 0.00 N ATOM 596 CA GLY A 35 -21.742 3.449 -6.473 1.00 0.00 C ATOM 597 C GLY A 35 -21.939 3.580 -4.976 1.00 0.00 C ATOM 598 O GLY A 35 -23.041 3.847 -4.504 1.00 0.00 O ATOM 0 H GLY A 35 -20.045 2.402 -6.971 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -21.185 4.306 -6.851 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -22.709 3.450 -6.977 1.00 0.00 H new ATOM 602 N GLN A 36 -20.877 3.313 -4.215 1.00 0.00 N ATOM 603 CA GLN A 36 -20.875 3.225 -2.755 1.00 0.00 C ATOM 604 C GLN A 36 -19.754 4.071 -2.171 1.00 0.00 C ATOM 605 O GLN A 36 -19.774 4.459 -1.004 1.00 0.00 O ATOM 606 CB GLN A 36 -20.678 1.776 -2.299 1.00 0.00 C ATOM 607 CG GLN A 36 -21.630 0.812 -2.982 1.00 0.00 C ATOM 608 CD GLN A 36 -23.041 0.919 -2.403 1.00 0.00 C ATOM 609 OE1 GLN A 36 -23.290 0.487 -1.280 1.00 0.00 O ATOM 610 NE2 GLN A 36 -23.982 1.538 -3.090 1.00 0.00 N ATOM 0 H GLN A 36 -19.955 3.145 -4.617 1.00 0.00 H new ATOM 0 HA GLN A 36 -21.839 3.592 -2.402 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -19.651 1.472 -2.503 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -20.820 1.717 -1.220 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -21.657 1.021 -4.051 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -21.263 -0.208 -2.866 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -23.779 1.898 -4.023 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -24.912 1.657 -2.689 1.00 0.00 H new ATOM 619 N LEU A 37 -18.770 4.347 -3.013 1.00 0.00 N ATOM 620 CA LEU A 37 -17.722 5.337 -2.802 1.00 0.00 C ATOM 621 C LEU A 37 -17.981 6.515 -3.747 1.00 0.00 C ATOM 622 O LEU A 37 -18.273 6.299 -4.922 1.00 0.00 O ATOM 623 CB LEU A 37 -16.347 4.649 -2.887 1.00 0.00 C ATOM 624 CG LEU A 37 -15.151 5.576 -3.107 1.00 0.00 C ATOM 625 CD1 LEU A 37 -15.020 6.624 -2.002 1.00 0.00 C ATOM 626 CD2 LEU A 37 -13.836 4.805 -3.178 1.00 0.00 C ATOM 0 H LEU A 37 -18.675 3.864 -3.906 1.00 0.00 H new ATOM 0 HA LEU A 37 -17.728 5.774 -1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -16.184 4.090 -1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -16.375 3.923 -3.700 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.343 6.070 -4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.157 7.258 -2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -15.921 7.236 -1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.889 6.126 -1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.013 5.503 -3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.680 4.265 -2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -13.874 4.096 -4.005 1.00 0.00 H new ATOM 638 N LYS A 38 -17.938 7.753 -3.234 1.00 0.00 N ATOM 639 CA LYS A 38 -18.259 8.985 -3.964 1.00 0.00 C ATOM 640 C LYS A 38 -17.299 10.127 -3.593 1.00 0.00 C ATOM 641 O LYS A 38 -17.716 11.212 -3.177 1.00 0.00 O ATOM 642 CB LYS A 38 -19.758 9.315 -3.784 1.00 0.00 C ATOM 643 CG LYS A 38 -20.221 9.637 -2.352 1.00 0.00 C ATOM 644 CD LYS A 38 -21.739 9.455 -2.217 1.00 0.00 C ATOM 645 CE LYS A 38 -22.276 10.112 -0.940 1.00 0.00 C ATOM 646 NZ LYS A 38 -22.499 11.559 -1.119 1.00 0.00 N ATOM 0 H LYS A 38 -17.669 7.929 -2.266 1.00 0.00 H new ATOM 0 HA LYS A 38 -18.101 8.839 -5.032 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -19.999 10.166 -4.420 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -20.340 8.469 -4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -19.708 8.986 -1.644 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -19.949 10.662 -2.099 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -22.236 9.887 -3.086 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -21.979 8.392 -2.208 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -23.212 9.633 -0.651 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -21.571 9.951 -0.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -22.862 11.966 -0.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -21.601 12.020 -1.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -23.191 11.712 -1.880 1.00 0.00 H new ATOM 660 N ASN A 39 -15.991 9.884 -3.730 1.00 0.00 N ATOM 661 CA ASN A 39 -14.951 10.898 -3.528 1.00 0.00 C ATOM 662 C ASN A 39 -13.910 10.784 -4.646 1.00 0.00 C ATOM 663 O ASN A 39 -13.846 11.644 -5.520 1.00 0.00 O ATOM 664 CB ASN A 39 -14.332 10.800 -2.115 1.00 0.00 C ATOM 665 CG ASN A 39 -13.293 11.891 -1.849 1.00 0.00 C ATOM 666 OD1 ASN A 39 -12.660 12.400 -2.765 1.00 0.00 O ATOM 667 ND2 ASN A 39 -13.050 12.261 -0.609 1.00 0.00 N ATOM 0 H ASN A 39 -15.621 8.969 -3.987 1.00 0.00 H new ATOM 0 HA ASN A 39 -15.395 11.892 -3.584 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -15.125 10.869 -1.370 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -13.865 9.822 -1.994 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.339 12.967 -0.417 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.573 11.842 0.160 1.00 0.00 H new ATOM 674 N THR A 40 -13.091 9.733 -4.602 1.00 0.00 N ATOM 675 CA THR A 40 -11.990 9.394 -5.502 1.00 0.00 C ATOM 676 C THR A 40 -10.755 10.312 -5.371 1.00 0.00 C ATOM 677 O THR A 40 -9.639 9.891 -5.694 1.00 0.00 O ATOM 678 CB THR A 40 -12.481 9.230 -6.951 1.00 0.00 C ATOM 679 OG1 THR A 40 -13.740 8.572 -6.985 1.00 0.00 O ATOM 680 CG2 THR A 40 -11.521 8.392 -7.806 1.00 0.00 C ATOM 0 H THR A 40 -13.192 9.033 -3.867 1.00 0.00 H new ATOM 0 HA THR A 40 -11.622 8.421 -5.176 1.00 0.00 H new ATOM 0 HB THR A 40 -12.547 10.240 -7.355 1.00 0.00 H new ATOM 0 HG1 THR A 40 -14.036 8.479 -7.915 1.00 0.00 H new ATOM 0 HG21 THR A 40 -11.915 8.308 -8.819 1.00 0.00 H new ATOM 0 HG22 THR A 40 -10.544 8.875 -7.836 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.421 7.397 -7.372 1.00 0.00 H new ATOM 688 N SER A 41 -10.883 11.518 -4.816 1.00 0.00 N ATOM 689 CA SER A 41 -9.735 12.331 -4.405 1.00 0.00 C ATOM 690 C SER A 41 -8.968 11.620 -3.283 1.00 0.00 C ATOM 691 O SER A 41 -7.737 11.677 -3.225 1.00 0.00 O ATOM 692 CB SER A 41 -10.164 13.745 -3.958 1.00 0.00 C ATOM 693 OG SER A 41 -11.465 14.109 -4.406 1.00 0.00 O ATOM 0 H SER A 41 -11.785 11.960 -4.638 1.00 0.00 H new ATOM 0 HA SER A 41 -9.081 12.450 -5.269 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.134 13.799 -2.870 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.442 14.471 -4.333 1.00 0.00 H new ATOM 0 HG SER A 41 -12.135 13.759 -3.783 1.00 0.00 H new ATOM 699 N LEU A 42 -9.676 10.911 -2.394 1.00 0.00 N ATOM 700 CA LEU A 42 -9.045 10.045 -1.418 1.00 0.00 C ATOM 701 C LEU A 42 -8.391 8.871 -2.153 1.00 0.00 C ATOM 702 O LEU A 42 -7.231 8.623 -1.873 1.00 0.00 O ATOM 703 CB LEU A 42 -10.084 9.633 -0.365 1.00 0.00 C ATOM 704 CG LEU A 42 -9.559 9.299 1.036 1.00 0.00 C ATOM 705 CD1 LEU A 42 -8.570 8.132 1.101 1.00 0.00 C ATOM 706 CD2 LEU A 42 -8.964 10.519 1.745 1.00 0.00 C ATOM 0 H LEU A 42 -10.694 10.928 -2.340 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.249 10.553 -0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.810 10.441 -0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.622 8.763 -0.742 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.455 8.972 1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.259 7.976 2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.049 7.228 0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.697 8.360 0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.607 10.228 2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.132 10.910 1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.729 11.289 1.848 1.00 0.00 H new ATOM 718 N ILE A 43 -9.014 8.236 -3.163 1.00 0.00 N ATOM 719 CA ILE A 43 -8.366 7.163 -3.936 1.00 0.00 C ATOM 720 C ILE A 43 -7.001 7.623 -4.452 1.00 0.00 C ATOM 721 O ILE A 43 -6.060 6.855 -4.320 1.00 0.00 O ATOM 722 CB ILE A 43 -9.254 6.583 -5.074 1.00 0.00 C ATOM 723 CG1 ILE A 43 -10.068 5.332 -4.653 1.00 0.00 C ATOM 724 CG2 ILE A 43 -8.468 6.279 -6.371 1.00 0.00 C ATOM 725 CD1 ILE A 43 -9.249 4.038 -4.575 1.00 0.00 C ATOM 0 H ILE A 43 -9.966 8.448 -3.462 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.216 6.332 -3.247 1.00 0.00 H new ATOM 0 HB ILE A 43 -9.960 7.386 -5.284 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.521 5.520 -3.680 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.883 5.189 -5.362 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.148 5.877 -7.123 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.014 7.197 -6.745 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.687 5.548 -6.160 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.897 3.215 -4.274 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.817 3.821 -5.552 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.450 4.157 -3.844 1.00 0.00 H new ATOM 737 N LYS A 44 -6.835 8.829 -5.012 1.00 0.00 N ATOM 738 CA LYS A 44 -5.546 9.343 -5.463 1.00 0.00 C ATOM 739 C LYS A 44 -4.486 9.224 -4.362 1.00 0.00 C ATOM 740 O LYS A 44 -3.333 8.843 -4.582 1.00 0.00 O ATOM 741 CB LYS A 44 -5.781 10.795 -5.953 1.00 0.00 C ATOM 742 CG LYS A 44 -4.715 11.841 -5.602 1.00 0.00 C ATOM 743 CD LYS A 44 -3.384 11.491 -6.261 1.00 0.00 C ATOM 744 CE LYS A 44 -2.207 11.633 -5.283 1.00 0.00 C ATOM 745 NZ LYS A 44 -1.141 12.501 -5.828 1.00 0.00 N ATOM 0 H LYS A 44 -7.606 9.479 -5.164 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.147 8.754 -6.289 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.885 10.771 -7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.734 11.137 -5.549 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.042 12.827 -5.932 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.590 11.892 -4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.423 10.469 -6.637 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.222 12.141 -7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.566 12.046 -4.340 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.796 10.648 -5.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.365 12.572 -5.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.781 12.094 -6.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.526 13.449 -6.014 1.00 0.00 H new ATOM 759 N LEU A 45 -4.862 9.592 -3.154 1.00 0.00 N ATOM 760 CA LEU A 45 -4.053 9.728 -1.993 1.00 0.00 C ATOM 761 C LEU A 45 -3.826 8.359 -1.357 1.00 0.00 C ATOM 762 O LEU A 45 -2.734 8.081 -0.870 1.00 0.00 O ATOM 763 CB LEU A 45 -4.857 10.736 -1.158 1.00 0.00 C ATOM 764 CG LEU A 45 -4.205 11.283 0.094 1.00 0.00 C ATOM 765 CD1 LEU A 45 -4.478 10.386 1.292 1.00 0.00 C ATOM 766 CD2 LEU A 45 -2.725 11.498 -0.140 1.00 0.00 C ATOM 0 H LEU A 45 -5.836 9.821 -2.959 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.037 10.090 -2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.111 11.579 -1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.795 10.262 -0.869 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.646 12.252 0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.997 10.804 2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.553 10.320 1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.079 9.390 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.267 11.892 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.256 10.549 -0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.585 12.208 -0.955 1.00 0.00 H new ATOM 778 N THR A 46 -4.780 7.440 -1.473 1.00 0.00 N ATOM 779 CA THR A 46 -4.577 6.045 -1.153 1.00 0.00 C ATOM 780 C THR A 46 -3.567 5.501 -2.164 1.00 0.00 C ATOM 781 O THR A 46 -2.524 4.998 -1.783 1.00 0.00 O ATOM 782 CB THR A 46 -5.952 5.352 -1.189 1.00 0.00 C ATOM 783 OG1 THR A 46 -6.886 6.071 -0.427 1.00 0.00 O ATOM 784 CG2 THR A 46 -5.948 3.943 -0.624 1.00 0.00 C ATOM 0 H THR A 46 -5.724 7.653 -1.796 1.00 0.00 H new ATOM 0 HA THR A 46 -4.168 5.870 -0.158 1.00 0.00 H new ATOM 0 HB THR A 46 -6.211 5.314 -2.247 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.172 6.865 -0.925 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.952 3.524 -0.685 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.260 3.323 -1.199 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.629 3.970 0.418 1.00 0.00 H new ATOM 792 N LYS A 47 -3.792 5.664 -3.465 1.00 0.00 N ATOM 793 CA LYS A 47 -2.957 5.195 -4.563 1.00 0.00 C ATOM 794 C LYS A 47 -1.514 5.625 -4.423 1.00 0.00 C ATOM 795 O LYS A 47 -0.647 4.787 -4.646 1.00 0.00 O ATOM 796 CB LYS A 47 -3.557 5.724 -5.883 1.00 0.00 C ATOM 797 CG LYS A 47 -2.804 5.314 -7.151 1.00 0.00 C ATOM 798 CD LYS A 47 -2.994 3.819 -7.394 1.00 0.00 C ATOM 799 CE LYS A 47 -2.452 3.420 -8.766 1.00 0.00 C ATOM 800 NZ LYS A 47 -3.043 2.148 -9.220 1.00 0.00 N ATOM 0 H LYS A 47 -4.618 6.160 -3.800 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.948 4.105 -4.553 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.586 5.374 -5.962 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.593 6.812 -5.837 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.172 5.882 -8.005 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.744 5.545 -7.048 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.482 3.252 -6.617 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.052 3.567 -7.328 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.671 4.205 -9.490 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.367 3.324 -8.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.658 1.900 -10.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.813 1.396 -8.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.076 2.250 -9.287 1.00 0.00 H new ATOM 814 N ARG A 48 -1.223 6.880 -4.082 1.00 0.00 N ATOM 815 CA ARG A 48 0.166 7.316 -3.918 1.00 0.00 C ATOM 816 C ARG A 48 0.847 6.502 -2.829 1.00 0.00 C ATOM 817 O ARG A 48 1.986 6.072 -3.007 1.00 0.00 O ATOM 818 CB ARG A 48 0.224 8.830 -3.668 1.00 0.00 C ATOM 819 CG ARG A 48 0.155 9.293 -2.203 1.00 0.00 C ATOM 820 CD ARG A 48 -0.044 10.804 -2.072 1.00 0.00 C ATOM 821 NE ARG A 48 1.184 11.542 -2.393 1.00 0.00 N ATOM 822 CZ ARG A 48 2.255 11.711 -1.605 1.00 0.00 C ATOM 823 NH1 ARG A 48 2.283 11.249 -0.354 1.00 0.00 N ATOM 824 NH2 ARG A 48 3.319 12.324 -2.105 1.00 0.00 N ATOM 0 H ARG A 48 -1.920 7.606 -3.915 1.00 0.00 H new ATOM 0 HA ARG A 48 0.721 7.132 -4.838 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.149 9.211 -4.102 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.598 9.296 -4.211 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.664 8.778 -1.701 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.074 9.006 -1.691 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.846 11.125 -2.737 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -0.358 11.043 -1.056 1.00 0.00 H new ATOM 0 HE ARG A 48 1.227 11.973 -3.316 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.476 10.753 0.025 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.111 11.392 0.224 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.310 12.655 -3.070 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.146 12.464 -1.525 1.00 0.00 H new ATOM 838 N ASP A 49 0.144 6.267 -1.724 1.00 0.00 N ATOM 839 CA ASP A 49 0.643 5.501 -0.601 1.00 0.00 C ATOM 840 C ASP A 49 0.719 4.052 -1.009 1.00 0.00 C ATOM 841 O ASP A 49 1.715 3.410 -0.714 1.00 0.00 O ATOM 842 CB ASP A 49 -0.299 5.669 0.610 1.00 0.00 C ATOM 843 CG ASP A 49 -0.101 6.986 1.351 1.00 0.00 C ATOM 844 OD1 ASP A 49 0.970 7.609 1.184 1.00 0.00 O ATOM 845 OD2 ASP A 49 -1.053 7.420 2.043 1.00 0.00 O ATOM 0 H ASP A 49 -0.806 6.613 -1.588 1.00 0.00 H new ATOM 0 HA ASP A 49 1.633 5.855 -0.315 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.332 5.604 0.269 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.139 4.843 1.303 1.00 0.00 H new ATOM 850 N ILE A 50 -0.255 3.532 -1.757 1.00 0.00 N ATOM 851 CA ILE A 50 -0.214 2.149 -2.208 1.00 0.00 C ATOM 852 C ILE A 50 1.021 2.003 -3.046 1.00 0.00 C ATOM 853 O ILE A 50 1.840 1.169 -2.732 1.00 0.00 O ATOM 854 CB ILE A 50 -1.491 1.670 -2.938 1.00 0.00 C ATOM 855 CG1 ILE A 50 -2.432 1.062 -1.898 1.00 0.00 C ATOM 856 CG2 ILE A 50 -1.260 0.551 -3.975 1.00 0.00 C ATOM 857 CD1 ILE A 50 -3.124 2.115 -1.051 1.00 0.00 C ATOM 0 H ILE A 50 -1.079 4.051 -2.061 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.178 1.493 -1.338 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.879 2.547 -3.456 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.184 0.456 -2.404 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.867 0.393 -1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.210 0.280 -4.435 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.572 0.903 -4.743 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.835 -0.322 -3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.780 1.628 -0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.376 2.705 -0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.713 2.769 -1.694 1.00 0.00 H new ATOM 869 N ALA A 51 1.210 2.806 -4.078 1.00 0.00 N ATOM 870 CA ALA A 51 2.323 2.635 -4.979 1.00 0.00 C ATOM 871 C ALA A 51 3.682 2.900 -4.293 1.00 0.00 C ATOM 872 O ALA A 51 4.714 2.586 -4.889 1.00 0.00 O ATOM 873 CB ALA A 51 2.049 3.541 -6.179 1.00 0.00 C ATOM 0 H ALA A 51 0.598 3.588 -4.309 1.00 0.00 H new ATOM 0 HA ALA A 51 2.407 1.600 -5.311 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.864 3.451 -6.897 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.114 3.244 -6.653 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.973 4.576 -5.844 1.00 0.00 H new ATOM 879 N ARG A 52 3.702 3.414 -3.052 1.00 0.00 N ATOM 880 CA ARG A 52 4.863 3.497 -2.166 1.00 0.00 C ATOM 881 C ARG A 52 5.001 2.202 -1.364 1.00 0.00 C ATOM 882 O ARG A 52 5.997 1.495 -1.480 1.00 0.00 O ATOM 883 CB ARG A 52 4.723 4.767 -1.296 1.00 0.00 C ATOM 884 CG ARG A 52 5.975 5.249 -0.546 1.00 0.00 C ATOM 885 CD ARG A 52 6.171 4.598 0.832 1.00 0.00 C ATOM 886 NE ARG A 52 7.042 5.425 1.695 1.00 0.00 N ATOM 887 CZ ARG A 52 6.660 6.403 2.535 1.00 0.00 C ATOM 888 NH1 ARG A 52 5.376 6.694 2.730 1.00 0.00 N ATOM 889 NH2 ARG A 52 7.591 7.109 3.161 1.00 0.00 N ATOM 0 H ARG A 52 2.862 3.802 -2.622 1.00 0.00 H new ATOM 0 HA ARG A 52 5.791 3.593 -2.729 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.380 5.579 -1.937 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.938 4.588 -0.561 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.853 5.047 -1.159 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.916 6.330 -0.420 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.203 4.461 1.313 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.610 3.608 0.710 1.00 0.00 H new ATOM 0 HE ARG A 52 8.043 5.232 1.648 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.654 6.170 2.236 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.114 7.441 3.373 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.578 6.906 3.002 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.320 7.855 3.802 1.00 0.00 H new ATOM 903 N ILE A 53 3.994 1.875 -0.569 1.00 0.00 N ATOM 904 CA ILE A 53 3.896 0.719 0.305 1.00 0.00 C ATOM 905 C ILE A 53 3.948 -0.587 -0.473 1.00 0.00 C ATOM 906 O ILE A 53 4.792 -1.438 -0.227 1.00 0.00 O ATOM 907 CB ILE A 53 2.629 0.924 1.169 1.00 0.00 C ATOM 908 CG1 ILE A 53 2.882 2.020 2.235 1.00 0.00 C ATOM 909 CG2 ILE A 53 2.187 -0.366 1.852 1.00 0.00 C ATOM 910 CD1 ILE A 53 1.750 3.036 2.405 1.00 0.00 C ATOM 0 H ILE A 53 3.159 2.458 -0.515 1.00 0.00 H new ATOM 0 HA ILE A 53 4.756 0.635 0.970 1.00 0.00 H new ATOM 0 HB ILE A 53 1.827 1.238 0.501 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.062 1.536 3.195 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.794 2.556 1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.294 -0.175 2.448 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.965 -1.120 1.097 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.986 -0.726 2.500 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.023 3.760 3.173 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.581 3.554 1.461 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.838 2.518 2.703 1.00 0.00 H new ATOM 922 N LYS A 54 3.089 -0.767 -1.461 1.00 0.00 N ATOM 923 CA LYS A 54 3.092 -1.968 -2.267 1.00 0.00 C ATOM 924 C LYS A 54 4.436 -2.136 -2.980 1.00 0.00 C ATOM 925 O LYS A 54 4.860 -3.273 -3.174 1.00 0.00 O ATOM 926 CB LYS A 54 1.861 -2.001 -3.207 1.00 0.00 C ATOM 927 CG LYS A 54 2.031 -1.192 -4.518 1.00 0.00 C ATOM 928 CD LYS A 54 2.719 -1.966 -5.646 1.00 0.00 C ATOM 929 CE LYS A 54 1.790 -2.900 -6.427 1.00 0.00 C ATOM 930 NZ LYS A 54 2.521 -4.089 -6.911 1.00 0.00 N ATOM 0 H LYS A 54 2.375 -0.087 -1.723 1.00 0.00 H new ATOM 0 HA LYS A 54 2.990 -2.842 -1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.641 -3.038 -3.461 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.997 -1.615 -2.666 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.049 -0.867 -4.861 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.608 -0.292 -4.305 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.166 -1.254 -6.340 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.534 -2.553 -5.223 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.962 -3.212 -5.790 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.358 -2.365 -7.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.870 -4.706 -7.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.296 -3.789 -7.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.913 -4.610 -6.100 1.00 0.00 H new ATOM 944 N THR A 55 5.093 -1.036 -3.379 1.00 0.00 N ATOM 945 CA THR A 55 6.432 -1.118 -3.931 1.00 0.00 C ATOM 946 C THR A 55 7.334 -1.751 -2.891 1.00 0.00 C ATOM 947 O THR A 55 7.999 -2.703 -3.262 1.00 0.00 O ATOM 948 CB THR A 55 6.944 0.257 -4.373 1.00 0.00 C ATOM 949 OG1 THR A 55 6.375 0.606 -5.620 1.00 0.00 O ATOM 950 CG2 THR A 55 8.477 0.364 -4.461 1.00 0.00 C ATOM 0 H THR A 55 4.713 -0.091 -3.326 1.00 0.00 H new ATOM 0 HA THR A 55 6.425 -1.736 -4.829 1.00 0.00 H new ATOM 0 HB THR A 55 6.633 0.953 -3.594 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.603 1.193 -5.475 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.754 1.369 -4.780 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.913 0.161 -3.483 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.852 -0.362 -5.182 1.00 0.00 H new ATOM 958 N ILE A 56 7.358 -1.265 -1.641 1.00 0.00 N ATOM 959 CA ILE A 56 8.266 -1.748 -0.601 1.00 0.00 C ATOM 960 C ILE A 56 8.280 -3.269 -0.579 1.00 0.00 C ATOM 961 O ILE A 56 9.356 -3.838 -0.655 1.00 0.00 O ATOM 962 CB ILE A 56 7.931 -1.142 0.775 1.00 0.00 C ATOM 963 CG1 ILE A 56 8.303 0.354 0.844 1.00 0.00 C ATOM 964 CG2 ILE A 56 8.523 -1.939 1.946 1.00 0.00 C ATOM 965 CD1 ILE A 56 9.592 0.678 1.606 1.00 0.00 C ATOM 0 H ILE A 56 6.740 -0.518 -1.325 1.00 0.00 H new ATOM 0 HA ILE A 56 9.275 -1.412 -0.840 1.00 0.00 H new ATOM 0 HB ILE A 56 6.849 -1.215 0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.397 0.734 -0.173 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.480 0.894 1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.251 -1.460 2.887 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.130 -2.956 1.930 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.609 -1.968 1.854 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.761 1.755 1.594 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.501 0.336 2.637 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.433 0.174 1.130 1.00 0.00 H new ATOM 977 N LEU A 57 7.119 -3.920 -0.541 1.00 0.00 N ATOM 978 CA LEU A 57 7.037 -5.378 -0.578 1.00 0.00 C ATOM 979 C LEU A 57 7.877 -5.933 -1.726 1.00 0.00 C ATOM 980 O LEU A 57 8.853 -6.653 -1.539 1.00 0.00 O ATOM 981 CB LEU A 57 5.558 -5.782 -0.671 1.00 0.00 C ATOM 982 CG LEU A 57 5.295 -7.290 -0.790 1.00 0.00 C ATOM 983 CD1 LEU A 57 6.238 -8.145 0.044 1.00 0.00 C ATOM 984 CD2 LEU A 57 3.852 -7.564 -0.361 1.00 0.00 C ATOM 0 H LEU A 57 6.213 -3.454 -0.484 1.00 0.00 H new ATOM 0 HA LEU A 57 7.450 -5.809 0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.040 -5.408 0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.116 -5.284 -1.534 1.00 0.00 H new ATOM 0 HG LEU A 57 5.470 -7.567 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.991 -9.198 -0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.266 -7.970 -0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.134 -7.881 1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.646 -8.631 -0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.712 -7.242 0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.169 -7.014 -1.009 1.00 0.00 H new ATOM 996 N ARG A 58 7.512 -5.523 -2.926 1.00 0.00 N ATOM 997 CA ARG A 58 8.138 -5.907 -4.177 1.00 0.00 C ATOM 998 C ARG A 58 9.635 -5.698 -4.159 1.00 0.00 C ATOM 999 O ARG A 58 10.381 -6.597 -4.517 1.00 0.00 O ATOM 1000 CB ARG A 58 7.525 -5.087 -5.309 1.00 0.00 C ATOM 1001 CG ARG A 58 7.103 -6.002 -6.448 1.00 0.00 C ATOM 1002 CD ARG A 58 8.218 -6.877 -7.039 1.00 0.00 C ATOM 1003 NE ARG A 58 7.696 -7.962 -7.882 1.00 0.00 N ATOM 1004 CZ ARG A 58 7.618 -7.973 -9.218 1.00 0.00 C ATOM 1005 NH1 ARG A 58 7.836 -6.874 -9.925 1.00 0.00 N ATOM 1006 NH2 ARG A 58 7.320 -9.083 -9.869 1.00 0.00 N ATOM 0 H ARG A 58 6.731 -4.881 -3.061 1.00 0.00 H new ATOM 0 HA ARG A 58 7.960 -6.972 -4.327 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.663 -4.531 -4.940 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.247 -4.354 -5.669 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.304 -6.653 -6.092 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.683 -5.390 -7.246 1.00 0.00 H new ATOM 0 HD2 ARG A 58 8.890 -6.254 -7.629 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.809 -7.303 -6.228 1.00 0.00 H new ATOM 0 HE ARG A 58 7.358 -8.794 -7.398 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.068 -6.001 -9.452 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.772 -6.901 -10.943 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.146 -9.946 -9.353 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.264 -9.077 -10.887 1.00 0.00 H new ATOM 1020 N GLU A 59 10.077 -4.511 -3.764 1.00 0.00 N ATOM 1021 CA GLU A 59 11.419 -4.012 -3.788 1.00 0.00 C ATOM 1022 C GLU A 59 12.287 -4.929 -2.911 1.00 0.00 C ATOM 1023 O GLU A 59 13.502 -4.997 -3.080 1.00 0.00 O ATOM 1024 CB GLU A 59 11.281 -2.534 -3.374 1.00 0.00 C ATOM 1025 CG GLU A 59 11.949 -2.090 -2.129 1.00 0.00 C ATOM 1026 CD GLU A 59 12.152 -0.573 -1.974 1.00 0.00 C ATOM 1027 OE1 GLU A 59 12.455 0.151 -2.956 1.00 0.00 O ATOM 1028 OE2 GLU A 59 12.024 -0.098 -0.821 1.00 0.00 O ATOM 0 H GLU A 59 9.432 -3.818 -3.385 1.00 0.00 H new ATOM 0 HA GLU A 59 11.937 -4.028 -4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.661 -1.922 -4.192 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.218 -2.313 -3.278 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.365 -2.446 -1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.924 -2.574 -2.071 1.00 0.00 H new ATOM 1035 N ARG A 60 11.672 -5.677 -1.999 1.00 0.00 N ATOM 1036 CA ARG A 60 12.344 -6.572 -1.082 1.00 0.00 C ATOM 1037 C ARG A 60 12.275 -8.016 -1.557 1.00 0.00 C ATOM 1038 O ARG A 60 13.173 -8.786 -1.230 1.00 0.00 O ATOM 1039 CB ARG A 60 11.714 -6.364 0.292 1.00 0.00 C ATOM 1040 CG ARG A 60 11.857 -4.899 0.761 1.00 0.00 C ATOM 1041 CD ARG A 60 11.051 -4.690 2.060 1.00 0.00 C ATOM 1042 NE ARG A 60 11.490 -5.559 3.175 1.00 0.00 N ATOM 1043 CZ ARG A 60 10.938 -6.720 3.570 1.00 0.00 C ATOM 1044 NH1 ARG A 60 9.884 -7.227 2.944 1.00 0.00 N ATOM 1045 NH2 ARG A 60 11.436 -7.361 4.617 1.00 0.00 N ATOM 0 H ARG A 60 10.659 -5.671 -1.880 1.00 0.00 H new ATOM 0 HA ARG A 60 13.409 -6.348 -1.030 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.659 -6.635 0.255 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.188 -7.027 1.016 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.907 -4.662 0.931 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.499 -4.222 -0.014 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.136 -3.648 2.367 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.996 -4.877 1.858 1.00 0.00 H new ATOM 0 HE ARG A 60 12.303 -5.241 3.703 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.478 -6.735 2.148 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.480 -8.109 3.259 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.235 -6.974 5.120 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.021 -8.242 4.920 1.00 0.00 H new ATOM 1059 N GLU A 61 11.311 -8.346 -2.418 1.00 0.00 N ATOM 1060 CA GLU A 61 11.300 -9.595 -3.176 1.00 0.00 C ATOM 1061 C GLU A 61 12.539 -9.640 -4.069 1.00 0.00 C ATOM 1062 O GLU A 61 13.320 -10.581 -3.964 1.00 0.00 O ATOM 1063 CB GLU A 61 10.036 -9.769 -4.037 1.00 0.00 C ATOM 1064 CG GLU A 61 8.722 -9.785 -3.252 1.00 0.00 C ATOM 1065 CD GLU A 61 7.526 -10.066 -4.166 1.00 0.00 C ATOM 1066 OE1 GLU A 61 7.299 -9.320 -5.146 1.00 0.00 O ATOM 1067 OE2 GLU A 61 6.773 -11.031 -3.882 1.00 0.00 O ATOM 0 H GLU A 61 10.508 -7.746 -2.610 1.00 0.00 H new ATOM 0 HA GLU A 61 11.303 -10.414 -2.457 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.997 -8.961 -4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.120 -10.701 -4.597 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.772 -10.545 -2.472 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.583 -8.826 -2.754 1.00 0.00 H new ATOM 1074 N LEU A 62 12.756 -8.646 -4.948 1.00 0.00 N ATOM 1075 CA LEU A 62 13.916 -8.682 -5.829 1.00 0.00 C ATOM 1076 C LEU A 62 15.206 -8.362 -5.071 1.00 0.00 C ATOM 1077 O LEU A 62 16.293 -8.515 -5.627 1.00 0.00 O ATOM 1078 CB LEU A 62 13.820 -7.670 -6.977 1.00 0.00 C ATOM 1079 CG LEU A 62 12.465 -7.234 -7.562 1.00 0.00 C ATOM 1080 CD1 LEU A 62 11.357 -8.289 -7.629 1.00 0.00 C ATOM 1081 CD2 LEU A 62 12.019 -5.922 -6.918 1.00 0.00 C ATOM 0 H LEU A 62 12.154 -7.830 -5.060 1.00 0.00 H new ATOM 0 HA LEU A 62 13.934 -9.696 -6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.325 -6.764 -6.642 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.405 -8.074 -7.803 1.00 0.00 H new ATOM 0 HG LEU A 62 12.654 -7.075 -8.624 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.459 -7.847 -8.061 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.686 -9.123 -8.249 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.136 -8.649 -6.624 1.00 0.00 H new ATOM 0 HD21 LEU A 62 11.059 -5.619 -7.337 1.00 0.00 H new ATOM 0 HD22 LEU A 62 11.918 -6.061 -5.842 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.761 -5.149 -7.116 1.00 0.00 H new ATOM 1093 N GLY A 63 15.109 -7.820 -3.860 1.00 0.00 N ATOM 1094 CA GLY A 63 16.262 -7.421 -3.082 1.00 0.00 C ATOM 1095 C GLY A 63 16.865 -6.097 -3.520 1.00 0.00 C ATOM 1096 O GLY A 63 18.058 -5.870 -3.312 1.00 0.00 O ATOM 0 H GLY A 63 14.218 -7.647 -3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 63 15.975 -7.350 -2.033 1.00 0.00 H new ATOM 0 HA3 GLY A 63 17.023 -8.198 -3.152 1.00 0.00 H new ATOM 1100 N ILE A 64 16.074 -5.188 -4.097 1.00 0.00 N ATOM 1101 CA ILE A 64 16.503 -3.842 -4.419 1.00 0.00 C ATOM 1102 C ILE A 64 17.060 -3.176 -3.157 1.00 0.00 C ATOM 1103 O ILE A 64 18.084 -2.494 -3.191 1.00 0.00 O ATOM 1104 CB ILE A 64 15.304 -3.069 -5.026 1.00 0.00 C ATOM 1105 CG1 ILE A 64 14.885 -3.599 -6.410 1.00 0.00 C ATOM 1106 CG2 ILE A 64 15.508 -1.554 -5.058 1.00 0.00 C ATOM 1107 CD1 ILE A 64 15.837 -3.265 -7.562 1.00 0.00 C ATOM 0 H ILE A 64 15.105 -5.378 -4.354 1.00 0.00 H new ATOM 0 HA ILE A 64 17.302 -3.847 -5.160 1.00 0.00 H new ATOM 0 HB ILE A 64 14.479 -3.261 -4.340 1.00 0.00 H new ATOM 0 HG12 ILE A 64 14.783 -4.683 -6.349 1.00 0.00 H new ATOM 0 HG13 ILE A 64 13.899 -3.199 -6.649 1.00 0.00 H new ATOM 0 HG21 ILE A 64 14.630 -1.078 -5.495 1.00 0.00 H new ATOM 0 HG22 ILE A 64 15.653 -1.185 -4.043 1.00 0.00 H new ATOM 0 HG23 ILE A 64 16.386 -1.318 -5.659 1.00 0.00 H new ATOM 0 HD11 ILE A 64 15.447 -3.685 -8.489 1.00 0.00 H new ATOM 0 HD12 ILE A 64 15.922 -2.183 -7.661 1.00 0.00 H new ATOM 0 HD13 ILE A 64 16.820 -3.689 -7.356 1.00 0.00 H new