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= -0.328 K(o=-0.33,f=-6.6!) USER MOD Set 1.2: A 40 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0.034) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 104:sc= 0.144 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-0.71) 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= -0.172 K(o=-0.17,f=-0.86) USER MOD Single : A 26 MET CE :methyl -128:sc= -0.2 (180deg=-0.306) USER MOD Single : A 31 GLN : amide:sc= -0.0632 K(o=-0.063,f=-0.99) USER MOD Single : A 34 MET CE :methyl -172:sc= 0 (180deg=-0.0772) USER MOD Single : A 36 GLN : amide:sc= 0.977 K(o=0.98,f=-0.27) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 79:sc= 1.2 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 152:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 40 N ALA A 3 12.141 4.932 4.048 1.00 0.00 N ATOM 41 CA ALA A 3 11.200 3.882 4.379 1.00 0.00 C ATOM 42 C ALA A 3 11.268 3.454 5.829 1.00 0.00 C ATOM 43 O ALA A 3 10.549 2.506 6.123 1.00 0.00 O ATOM 44 CB ALA A 3 11.406 2.632 3.517 1.00 0.00 C ATOM 0 HA ALA A 3 10.223 4.322 4.182 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.679 1.871 3.800 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.273 2.889 2.466 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.414 2.246 3.671 1.00 0.00 H new ATOM 50 N SER A 4 12.130 4.010 6.703 1.00 0.00 N ATOM 51 CA SER A 4 12.253 3.512 8.082 1.00 0.00 C ATOM 52 C SER A 4 10.870 3.260 8.682 1.00 0.00 C ATOM 53 O SER A 4 10.622 2.155 9.134 1.00 0.00 O ATOM 54 CB SER A 4 13.134 4.406 8.965 1.00 0.00 C ATOM 55 OG SER A 4 14.506 4.142 8.705 1.00 0.00 O ATOM 0 H SER A 4 12.743 4.794 6.480 1.00 0.00 H new ATOM 0 HA SER A 4 12.776 2.557 8.043 1.00 0.00 H new ATOM 0 HB2 SER A 4 12.913 5.455 8.770 1.00 0.00 H new ATOM 0 HB3 SER A 4 12.913 4.224 10.017 1.00 0.00 H new ATOM 0 HG SER A 4 15.063 4.717 9.271 1.00 0.00 H new ATOM 61 N GLU A 5 9.928 4.173 8.459 1.00 0.00 N ATOM 62 CA GLU A 5 8.508 4.040 8.786 1.00 0.00 C ATOM 63 C GLU A 5 7.881 2.686 8.378 1.00 0.00 C ATOM 64 O GLU A 5 7.269 2.012 9.199 1.00 0.00 O ATOM 65 CB GLU A 5 7.745 5.236 8.176 1.00 0.00 C ATOM 66 CG GLU A 5 8.122 5.599 6.716 1.00 0.00 C ATOM 67 CD GLU A 5 7.356 6.807 6.161 1.00 0.00 C ATOM 68 OE1 GLU A 5 6.371 7.258 6.782 1.00 0.00 O ATOM 69 OE2 GLU A 5 7.713 7.319 5.073 1.00 0.00 O ATOM 0 H GLU A 5 10.143 5.070 8.024 1.00 0.00 H new ATOM 0 HA GLU A 5 8.421 4.052 9.872 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.677 5.020 8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.915 6.111 8.804 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.191 5.805 6.667 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.934 4.736 6.077 1.00 0.00 H new ATOM 76 N LEU A 6 8.013 2.292 7.115 1.00 0.00 N ATOM 77 CA LEU A 6 7.368 1.154 6.452 1.00 0.00 C ATOM 78 C LEU A 6 8.170 -0.126 6.528 1.00 0.00 C ATOM 79 O LEU A 6 7.595 -1.197 6.383 1.00 0.00 O ATOM 80 CB LEU A 6 7.225 1.532 4.961 1.00 0.00 C ATOM 81 CG LEU A 6 5.806 1.971 4.543 1.00 0.00 C ATOM 82 CD1 LEU A 6 5.160 2.987 5.489 1.00 0.00 C ATOM 83 CD2 LEU A 6 5.871 2.633 3.157 1.00 0.00 C ATOM 0 H LEU A 6 8.623 2.799 6.473 1.00 0.00 H new ATOM 0 HA LEU A 6 6.418 0.965 6.953 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.922 2.339 4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.521 0.677 4.353 1.00 0.00 H new ATOM 0 HG LEU A 6 5.201 1.064 4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.165 3.243 5.124 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.080 2.556 6.487 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.774 3.887 5.531 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.871 2.946 2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.526 3.503 3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.262 1.920 2.431 1.00 0.00 H new ATOM 95 N ARG A 7 9.483 -0.047 6.707 1.00 0.00 N ATOM 96 CA ARG A 7 10.306 -1.210 6.949 1.00 0.00 C ATOM 97 C ARG A 7 10.389 -1.519 8.444 1.00 0.00 C ATOM 98 O ARG A 7 10.896 -2.581 8.795 1.00 0.00 O ATOM 99 CB ARG A 7 11.670 -0.961 6.303 1.00 0.00 C ATOM 100 CG ARG A 7 12.485 0.187 6.895 1.00 0.00 C ATOM 101 CD ARG A 7 13.953 -0.165 7.130 1.00 0.00 C ATOM 102 NE ARG A 7 14.791 1.044 7.121 1.00 0.00 N ATOM 103 CZ ARG A 7 15.119 1.774 6.047 1.00 0.00 C ATOM 104 NH1 ARG A 7 14.763 1.399 4.822 1.00 0.00 N ATOM 105 NH2 ARG A 7 15.782 2.915 6.191 1.00 0.00 N ATOM 0 H ARG A 7 10.002 0.831 6.687 1.00 0.00 H new ATOM 0 HA ARG A 7 9.868 -2.100 6.498 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.259 -1.875 6.377 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.518 -0.765 5.242 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.428 1.045 6.226 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.036 0.490 7.841 1.00 0.00 H new ATOM 0 HD2 ARG A 7 14.059 -0.679 8.085 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.294 -0.854 6.358 1.00 0.00 H new ATOM 0 HE ARG A 7 15.158 1.357 8.020 1.00 0.00 H new ATOM 0 HH11 ARG A 7 14.229 0.540 4.686 1.00 0.00 H new ATOM 0 HH12 ARG A 7 15.023 1.970 4.018 1.00 0.00 H new ATOM 0 HH21 ARG A 7 16.044 3.239 7.122 1.00 0.00 H new ATOM 0 HH22 ARG A 7 16.030 3.468 5.370 1.00 0.00 H new ATOM 119 N ASN A 8 9.919 -0.607 9.301 1.00 0.00 N ATOM 120 CA ASN A 8 10.040 -0.734 10.758 1.00 0.00 C ATOM 121 C ASN A 8 9.126 -1.807 11.335 1.00 0.00 C ATOM 122 O ASN A 8 9.371 -2.227 12.468 1.00 0.00 O ATOM 123 CB ASN A 8 9.696 0.568 11.523 1.00 0.00 C ATOM 124 CG ASN A 8 10.876 1.108 12.317 1.00 0.00 C ATOM 125 OD1 ASN A 8 11.383 2.197 12.056 1.00 0.00 O ATOM 126 ND2 ASN A 8 11.344 0.364 13.304 1.00 0.00 N ATOM 0 H ASN A 8 9.442 0.244 9.003 1.00 0.00 H new ATOM 0 HA ASN A 8 11.090 -0.992 10.897 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.363 1.325 10.813 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.863 0.378 12.200 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.135 0.692 13.859 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.915 -0.538 13.511 1.00 0.00 H new ATOM 133 N TYR A 9 8.046 -2.169 10.631 1.00 0.00 N ATOM 134 CA TYR A 9 7.011 -3.032 11.140 1.00 0.00 C ATOM 135 C TYR A 9 7.598 -4.427 11.432 1.00 0.00 C ATOM 136 O TYR A 9 8.696 -4.744 10.963 1.00 0.00 O ATOM 137 CB TYR A 9 5.791 -2.904 10.201 1.00 0.00 C ATOM 138 CG TYR A 9 5.037 -1.600 10.338 1.00 0.00 C ATOM 139 CD1 TYR A 9 4.162 -1.376 11.414 1.00 0.00 C ATOM 140 CD2 TYR A 9 5.233 -0.598 9.369 1.00 0.00 C ATOM 141 CE1 TYR A 9 3.517 -0.131 11.545 1.00 0.00 C ATOM 142 CE2 TYR A 9 4.583 0.639 9.489 1.00 0.00 C ATOM 143 CZ TYR A 9 3.741 0.886 10.592 1.00 0.00 C ATOM 144 OH TYR A 9 3.197 2.123 10.741 1.00 0.00 O ATOM 0 H TYR A 9 7.878 -1.856 9.675 1.00 0.00 H new ATOM 0 HA TYR A 9 6.619 -2.750 12.117 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.128 -3.009 9.170 1.00 0.00 H new ATOM 0 HB3 TYR A 9 5.107 -3.729 10.399 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.984 -2.157 12.139 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.887 -0.783 8.529 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.850 0.046 12.376 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.727 1.401 8.737 1.00 0.00 H new ATOM 0 HH TYR A 9 3.462 2.690 9.987 1.00 0.00 H new ATOM 154 N THR A 10 6.942 -5.254 12.246 1.00 0.00 N ATOM 155 CA THR A 10 7.353 -6.647 12.414 1.00 0.00 C ATOM 156 C THR A 10 7.006 -7.433 11.159 1.00 0.00 C ATOM 157 O THR A 10 6.162 -6.979 10.407 1.00 0.00 O ATOM 158 CB THR A 10 6.671 -7.286 13.611 1.00 0.00 C ATOM 159 OG1 THR A 10 5.270 -7.387 13.483 1.00 0.00 O ATOM 160 CG2 THR A 10 6.999 -6.549 14.904 1.00 0.00 C ATOM 0 H THR A 10 6.127 -4.985 12.797 1.00 0.00 H new ATOM 0 HA THR A 10 8.429 -6.664 12.585 1.00 0.00 H new ATOM 0 HB THR A 10 7.071 -8.299 13.648 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.026 -8.313 13.275 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.493 -7.035 15.738 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.076 -6.569 15.071 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.663 -5.515 14.829 1.00 0.00 H new ATOM 168 N ASP A 11 7.579 -8.603 10.883 1.00 0.00 N ATOM 169 CA ASP A 11 7.361 -9.216 9.563 1.00 0.00 C ATOM 170 C ASP A 11 5.926 -9.665 9.324 1.00 0.00 C ATOM 171 O ASP A 11 5.516 -9.796 8.172 1.00 0.00 O ATOM 172 CB ASP A 11 8.368 -10.319 9.283 1.00 0.00 C ATOM 173 CG ASP A 11 9.361 -9.823 8.227 1.00 0.00 C ATOM 174 OD1 ASP A 11 10.400 -9.229 8.608 1.00 0.00 O ATOM 175 OD2 ASP A 11 9.035 -9.882 7.020 1.00 0.00 O ATOM 0 H ASP A 11 8.174 -9.131 11.521 1.00 0.00 H new ATOM 0 HA ASP A 11 7.534 -8.424 8.834 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.894 -10.591 10.198 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.858 -11.215 8.930 1.00 0.00 H new ATOM 180 N GLU A 12 5.156 -9.846 10.392 1.00 0.00 N ATOM 181 CA GLU A 12 3.713 -9.962 10.334 1.00 0.00 C ATOM 182 C GLU A 12 3.028 -8.605 10.166 1.00 0.00 C ATOM 183 O GLU A 12 2.129 -8.496 9.343 1.00 0.00 O ATOM 184 CB GLU A 12 3.200 -10.648 11.595 1.00 0.00 C ATOM 185 CG GLU A 12 3.529 -12.144 11.577 1.00 0.00 C ATOM 186 CD GLU A 12 2.516 -12.896 12.430 1.00 0.00 C ATOM 187 OE1 GLU A 12 2.482 -12.667 13.661 1.00 0.00 O ATOM 188 OE2 GLU A 12 1.725 -13.656 11.831 1.00 0.00 O ATOM 0 H GLU A 12 5.530 -9.917 11.338 1.00 0.00 H new ATOM 0 HA GLU A 12 3.468 -10.561 9.457 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.648 -10.184 12.474 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.122 -10.510 11.676 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.509 -12.519 10.554 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.537 -12.310 11.958 1.00 0.00 H new ATOM 195 N GLU A 13 3.428 -7.567 10.903 1.00 0.00 N ATOM 196 CA GLU A 13 2.837 -6.235 10.748 1.00 0.00 C ATOM 197 C GLU A 13 3.113 -5.682 9.347 1.00 0.00 C ATOM 198 O GLU A 13 2.282 -4.969 8.807 1.00 0.00 O ATOM 199 CB GLU A 13 3.411 -5.259 11.776 1.00 0.00 C ATOM 200 CG GLU A 13 2.842 -5.385 13.192 1.00 0.00 C ATOM 201 CD GLU A 13 1.690 -4.423 13.491 1.00 0.00 C ATOM 202 OE1 GLU A 13 1.788 -3.205 13.195 1.00 0.00 O ATOM 203 OE2 GLU A 13 0.685 -4.870 14.080 1.00 0.00 O ATOM 0 H GLU A 13 4.158 -7.622 11.613 1.00 0.00 H new ATOM 0 HA GLU A 13 1.763 -6.336 10.901 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.491 -5.401 11.823 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.238 -4.242 11.423 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.496 -6.407 13.343 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.643 -5.210 13.911 1.00 0.00 H new ATOM 210 N LEU A 14 4.271 -6.004 8.766 1.00 0.00 N ATOM 211 CA LEU A 14 4.771 -5.600 7.473 1.00 0.00 C ATOM 212 C LEU A 14 3.794 -6.142 6.461 1.00 0.00 C ATOM 213 O LEU A 14 3.104 -5.355 5.829 1.00 0.00 O ATOM 214 CB LEU A 14 6.217 -6.119 7.251 1.00 0.00 C ATOM 215 CG LEU A 14 7.274 -5.369 8.088 1.00 0.00 C ATOM 216 CD1 LEU A 14 8.592 -6.122 8.305 1.00 0.00 C ATOM 217 CD2 LEU A 14 7.611 -3.994 7.539 1.00 0.00 C ATOM 0 H LEU A 14 4.936 -6.612 9.244 1.00 0.00 H new ATOM 0 HA LEU A 14 4.841 -4.516 7.383 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.256 -7.180 7.497 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.469 -6.028 6.195 1.00 0.00 H new ATOM 0 HG LEU A 14 6.773 -5.278 9.052 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.266 -5.510 8.904 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.394 -7.059 8.825 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.054 -6.332 7.340 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.360 -3.522 8.175 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.004 -4.093 6.527 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.711 -3.379 7.520 1.00 0.00 H new ATOM 229 N LYS A 15 3.681 -7.462 6.307 1.00 0.00 N ATOM 230 CA LYS A 15 2.751 -8.024 5.351 1.00 0.00 C ATOM 231 C LYS A 15 1.371 -7.471 5.611 1.00 0.00 C ATOM 232 O LYS A 15 0.782 -6.935 4.693 1.00 0.00 O ATOM 233 CB LYS A 15 2.748 -9.558 5.373 1.00 0.00 C ATOM 234 CG LYS A 15 2.373 -10.186 6.731 1.00 0.00 C ATOM 235 CD LYS A 15 2.349 -11.719 6.668 1.00 0.00 C ATOM 236 CE LYS A 15 1.593 -12.324 7.867 1.00 0.00 C ATOM 237 NZ LYS A 15 1.462 -13.800 7.798 1.00 0.00 N ATOM 0 H LYS A 15 4.221 -8.150 6.832 1.00 0.00 H new ATOM 0 HA LYS A 15 3.074 -7.735 4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.049 -9.917 4.618 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.738 -9.913 5.086 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.088 -9.865 7.489 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.394 -9.820 7.042 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.875 -12.038 5.740 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.370 -12.099 6.652 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.112 -12.056 8.787 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.599 -11.881 7.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.945 -14.142 8.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.941 -14.062 6.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.408 -14.232 7.776 1.00 0.00 H new ATOM 251 N ASN A 16 0.889 -7.478 6.845 1.00 0.00 N ATOM 252 CA ASN A 16 -0.495 -7.143 7.114 1.00 0.00 C ATOM 253 C ASN A 16 -0.761 -5.639 6.990 1.00 0.00 C ATOM 254 O ASN A 16 -1.889 -5.185 7.157 1.00 0.00 O ATOM 255 CB ASN A 16 -0.810 -7.627 8.524 1.00 0.00 C ATOM 256 CG ASN A 16 -2.292 -7.906 8.759 1.00 0.00 C ATOM 257 OD1 ASN A 16 -3.155 -7.689 7.913 1.00 0.00 O ATOM 258 ND2 ASN A 16 -2.612 -8.454 9.916 1.00 0.00 N ATOM 0 H ASN A 16 1.438 -7.712 7.672 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.137 -7.626 6.378 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.242 -8.536 8.722 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.472 -6.878 9.240 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.582 -8.700 10.113 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.889 -8.631 10.614 1.00 0.00 H new ATOM 265 N LEU A 17 0.271 -4.850 6.705 1.00 0.00 N ATOM 266 CA LEU A 17 0.197 -3.431 6.391 1.00 0.00 C ATOM 267 C LEU A 17 0.203 -3.298 4.882 1.00 0.00 C ATOM 268 O LEU A 17 -0.663 -2.645 4.295 1.00 0.00 O ATOM 269 CB LEU A 17 1.410 -2.719 7.010 1.00 0.00 C ATOM 270 CG LEU A 17 1.650 -1.255 6.587 1.00 0.00 C ATOM 271 CD1 LEU A 17 1.495 -0.315 7.785 1.00 0.00 C ATOM 272 CD2 LEU A 17 3.060 -1.112 5.993 1.00 0.00 C ATOM 0 H LEU A 17 1.228 -5.203 6.687 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.707 -2.977 6.796 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.302 -2.746 8.094 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.303 -3.294 6.764 1.00 0.00 H new ATOM 0 HG LEU A 17 0.909 -0.984 5.835 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.668 0.713 7.466 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.487 -0.404 8.190 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.220 -0.583 8.554 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.226 -0.077 5.695 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.800 -1.398 6.740 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.155 -1.760 5.122 1.00 0.00 H new ATOM 284 N LEU A 18 1.216 -3.898 4.264 1.00 0.00 N ATOM 285 CA LEU A 18 1.469 -3.721 2.837 1.00 0.00 C ATOM 286 C LEU A 18 0.401 -4.437 2.023 1.00 0.00 C ATOM 287 O LEU A 18 -0.060 -3.899 1.014 1.00 0.00 O ATOM 288 CB LEU A 18 2.888 -4.154 2.365 1.00 0.00 C ATOM 289 CG LEU A 18 4.106 -3.994 3.310 1.00 0.00 C ATOM 290 CD1 LEU A 18 4.918 -5.281 3.456 1.00 0.00 C ATOM 291 CD2 LEU A 18 5.147 -2.960 2.881 1.00 0.00 C ATOM 0 H LEU A 18 1.879 -4.515 4.733 1.00 0.00 H new ATOM 0 HA LEU A 18 1.424 -2.646 2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.829 -5.207 2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.110 -3.597 1.455 1.00 0.00 H new ATOM 0 HG LEU A 18 3.612 -3.683 4.231 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.757 -5.107 4.129 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.283 -6.068 3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.293 -5.587 2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.954 -2.931 3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.551 -3.233 1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.679 -1.978 2.817 1.00 0.00 H new ATOM 303 N GLU A 19 0.016 -5.632 2.455 1.00 0.00 N ATOM 304 CA GLU A 19 -1.058 -6.417 1.876 1.00 0.00 C ATOM 305 C GLU A 19 -2.403 -5.701 2.046 1.00 0.00 C ATOM 306 O GLU A 19 -3.224 -5.745 1.128 1.00 0.00 O ATOM 307 CB GLU A 19 -1.033 -7.855 2.445 1.00 0.00 C ATOM 308 CG GLU A 19 -1.966 -8.185 3.611 1.00 0.00 C ATOM 309 CD GLU A 19 -1.841 -9.645 4.070 1.00 0.00 C ATOM 310 OE1 GLU A 19 -0.822 -10.309 3.791 1.00 0.00 O ATOM 311 OE2 GLU A 19 -2.838 -10.187 4.611 1.00 0.00 O ATOM 0 H GLU A 19 0.462 -6.094 3.247 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.910 -6.513 0.800 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.264 -8.540 1.629 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.013 -8.070 2.763 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.743 -7.524 4.449 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.996 -7.988 3.315 1.00 0.00 H new ATOM 318 N GLU A 20 -2.605 -4.995 3.166 1.00 0.00 N ATOM 319 CA GLU A 20 -3.881 -4.357 3.481 1.00 0.00 C ATOM 320 C GLU A 20 -4.104 -3.209 2.505 1.00 0.00 C ATOM 321 O GLU A 20 -5.139 -3.105 1.855 1.00 0.00 O ATOM 322 CB GLU A 20 -3.901 -3.862 4.934 1.00 0.00 C ATOM 323 CG GLU A 20 -5.239 -3.214 5.331 1.00 0.00 C ATOM 324 CD GLU A 20 -5.148 -2.453 6.657 1.00 0.00 C ATOM 325 OE1 GLU A 20 -4.397 -2.857 7.573 1.00 0.00 O ATOM 326 OE2 GLU A 20 -5.786 -1.382 6.776 1.00 0.00 O ATOM 0 H GLU A 20 -1.887 -4.853 3.876 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.689 -5.081 3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.698 -4.700 5.600 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.097 -3.140 5.077 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.556 -2.530 4.544 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.004 -3.986 5.410 1.00 0.00 H new ATOM 333 N LYS A 21 -3.103 -2.348 2.353 1.00 0.00 N ATOM 334 CA LYS A 21 -3.132 -1.229 1.438 1.00 0.00 C ATOM 335 C LYS A 21 -3.336 -1.764 0.019 1.00 0.00 C ATOM 336 O LYS A 21 -4.257 -1.324 -0.674 1.00 0.00 O ATOM 337 CB LYS A 21 -1.840 -0.442 1.696 1.00 0.00 C ATOM 338 CG LYS A 21 -1.850 0.222 3.075 1.00 0.00 C ATOM 339 CD LYS A 21 -2.770 1.442 3.217 1.00 0.00 C ATOM 340 CE LYS A 21 -1.925 2.708 3.103 1.00 0.00 C ATOM 341 NZ LYS A 21 -2.532 3.864 3.787 1.00 0.00 N ATOM 0 H LYS A 21 -2.232 -2.417 2.878 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.960 -0.535 1.582 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.984 -1.112 1.621 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.717 0.320 0.926 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.146 -0.522 3.814 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.832 0.526 3.319 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.537 1.429 2.443 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.285 1.417 4.177 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.938 2.519 3.525 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.781 2.949 2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.916 4.695 3.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.463 4.065 3.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.646 3.649 4.798 1.00 0.00 H new ATOM 355 N LYS A 22 -2.509 -2.714 -0.430 1.00 0.00 N ATOM 356 CA LYS A 22 -2.669 -3.399 -1.709 1.00 0.00 C ATOM 357 C LYS A 22 -4.108 -3.867 -1.948 1.00 0.00 C ATOM 358 O LYS A 22 -4.593 -3.559 -3.042 1.00 0.00 O ATOM 359 CB LYS A 22 -1.621 -4.532 -1.815 1.00 0.00 C ATOM 360 CG LYS A 22 -1.488 -5.154 -3.215 1.00 0.00 C ATOM 361 CD LYS A 22 -0.503 -6.340 -3.249 1.00 0.00 C ATOM 362 CE LYS A 22 -0.263 -6.802 -4.698 1.00 0.00 C ATOM 363 NZ LYS A 22 0.622 -7.989 -4.795 1.00 0.00 N ATOM 0 H LYS A 22 -1.696 -3.031 0.098 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.480 -2.693 -2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.650 -4.140 -1.513 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.882 -5.318 -1.106 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.468 -5.491 -3.553 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.154 -4.390 -3.917 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.443 -6.048 -2.793 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.899 -7.166 -2.659 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.222 -7.033 -5.162 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.177 -5.982 -5.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.744 -8.250 -5.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.549 -7.766 -4.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.194 -8.784 -4.279 1.00 0.00 H new ATOM 377 N ARG A 23 -4.805 -4.539 -1.009 1.00 0.00 N ATOM 378 CA ARG A 23 -6.206 -4.870 -1.266 1.00 0.00 C ATOM 379 C ARG A 23 -7.040 -3.602 -1.301 1.00 0.00 C ATOM 380 O ARG A 23 -7.745 -3.416 -2.286 1.00 0.00 O ATOM 381 CB ARG A 23 -6.772 -5.921 -0.299 1.00 0.00 C ATOM 382 CG ARG A 23 -6.696 -5.557 1.186 1.00 0.00 C ATOM 383 CD ARG A 23 -7.431 -6.493 2.129 1.00 0.00 C ATOM 384 NE ARG A 23 -6.988 -7.891 2.020 1.00 0.00 N ATOM 385 CZ ARG A 23 -7.609 -8.867 1.346 1.00 0.00 C ATOM 386 NH1 ARG A 23 -8.765 -8.660 0.717 1.00 0.00 N ATOM 387 NH2 ARG A 23 -7.042 -10.067 1.284 1.00 0.00 N ATOM 0 H ARG A 23 -4.436 -4.847 -0.109 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.256 -5.343 -2.247 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.815 -6.103 -0.558 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.237 -6.858 -0.454 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.647 -5.524 1.480 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.096 -4.551 1.316 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.287 -6.152 3.154 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.500 -6.440 1.923 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.126 -8.141 2.504 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.201 -7.738 0.741 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.214 -9.423 0.212 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.148 -10.233 1.746 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -7.501 -10.822 0.775 1.00 0.00 H new ATOM 401 N GLN A 24 -6.932 -2.724 -0.298 1.00 0.00 N ATOM 402 CA GLN A 24 -7.760 -1.550 -0.117 1.00 0.00 C ATOM 403 C GLN A 24 -7.899 -0.804 -1.426 1.00 0.00 C ATOM 404 O GLN A 24 -9.013 -0.578 -1.855 1.00 0.00 O ATOM 405 CB GLN A 24 -7.183 -0.623 0.964 1.00 0.00 C ATOM 406 CG GLN A 24 -7.803 -0.809 2.363 1.00 0.00 C ATOM 407 CD GLN A 24 -8.298 0.507 2.967 1.00 0.00 C ATOM 408 OE1 GLN A 24 -9.070 1.241 2.356 1.00 0.00 O ATOM 409 NE2 GLN A 24 -7.887 0.863 4.172 1.00 0.00 N ATOM 0 H GLN A 24 -6.231 -2.826 0.436 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.745 -1.879 0.213 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.108 -0.790 1.032 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.326 0.411 0.652 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.635 -1.510 2.297 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.063 -1.254 3.028 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.246 0.262 4.690 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.211 1.738 4.583 1.00 0.00 H new ATOM 418 N LEU A 25 -6.814 -0.455 -2.115 1.00 0.00 N ATOM 419 CA LEU A 25 -6.935 0.256 -3.390 1.00 0.00 C ATOM 420 C LEU A 25 -7.868 -0.470 -4.374 1.00 0.00 C ATOM 421 O LEU A 25 -8.708 0.167 -5.010 1.00 0.00 O ATOM 422 CB LEU A 25 -5.532 0.402 -3.962 1.00 0.00 C ATOM 423 CG LEU A 25 -5.481 0.879 -5.431 1.00 0.00 C ATOM 424 CD1 LEU A 25 -5.673 2.393 -5.455 1.00 0.00 C ATOM 425 CD2 LEU A 25 -4.157 0.522 -6.103 1.00 0.00 C ATOM 0 H LEU A 25 -5.857 -0.648 -1.820 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.387 1.234 -3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.974 1.107 -3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.022 -0.559 -3.888 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.274 0.376 -5.985 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.640 2.748 -6.485 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.638 2.644 -5.016 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.878 2.870 -4.881 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.165 0.876 -7.134 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.336 0.994 -5.563 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.023 -0.560 -6.092 1.00 0.00 H new ATOM 437 N MET A 26 -7.694 -1.781 -4.536 1.00 0.00 N ATOM 438 CA MET A 26 -8.538 -2.597 -5.407 1.00 0.00 C ATOM 439 C MET A 26 -9.988 -2.709 -4.914 1.00 0.00 C ATOM 440 O MET A 26 -10.883 -2.910 -5.738 1.00 0.00 O ATOM 441 CB MET A 26 -7.960 -4.011 -5.535 1.00 0.00 C ATOM 442 CG MET A 26 -6.519 -4.032 -6.046 1.00 0.00 C ATOM 443 SD MET A 26 -5.931 -5.698 -6.440 1.00 0.00 S ATOM 444 CE MET A 26 -4.217 -5.550 -5.879 1.00 0.00 C ATOM 0 H MET A 26 -6.960 -2.309 -4.064 1.00 0.00 H new ATOM 0 HA MET A 26 -8.550 -2.091 -6.372 1.00 0.00 H new ATOM 0 HB2 MET A 26 -8.000 -4.502 -4.563 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.587 -4.592 -6.212 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.446 -3.407 -6.936 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.866 -3.591 -5.293 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.545 -5.867 -6.676 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.008 -4.512 -5.619 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.065 -6.181 -5.003 1.00 0.00 H new ATOM 454 N GLU A 27 -10.232 -2.585 -3.613 1.00 0.00 N ATOM 455 CA GLU A 27 -11.566 -2.768 -3.019 1.00 0.00 C ATOM 456 C GLU A 27 -12.306 -1.430 -2.993 1.00 0.00 C ATOM 457 O GLU A 27 -13.488 -1.330 -3.301 1.00 0.00 O ATOM 458 CB GLU A 27 -11.461 -3.349 -1.595 1.00 0.00 C ATOM 459 CG GLU A 27 -10.645 -4.661 -1.554 1.00 0.00 C ATOM 460 CD GLU A 27 -11.241 -5.806 -0.734 1.00 0.00 C ATOM 461 OE1 GLU A 27 -12.487 -5.966 -0.731 1.00 0.00 O ATOM 462 OE2 GLU A 27 -10.443 -6.621 -0.219 1.00 0.00 O ATOM 0 H GLU A 27 -9.510 -2.353 -2.931 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.125 -3.477 -3.631 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.995 -2.614 -0.939 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.462 -3.534 -1.206 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.507 -5.010 -2.577 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.655 -4.436 -1.157 1.00 0.00 H new ATOM 469 N LEU A 28 -11.582 -0.351 -2.728 1.00 0.00 N ATOM 470 CA LEU A 28 -12.044 1.007 -2.821 1.00 0.00 C ATOM 471 C LEU A 28 -12.484 1.286 -4.243 1.00 0.00 C ATOM 472 O LEU A 28 -13.607 1.721 -4.457 1.00 0.00 O ATOM 473 CB LEU A 28 -10.933 1.943 -2.352 1.00 0.00 C ATOM 474 CG LEU A 28 -10.595 1.862 -0.853 1.00 0.00 C ATOM 475 CD1 LEU A 28 -9.353 2.727 -0.638 1.00 0.00 C ATOM 476 CD2 LEU A 28 -11.747 2.249 0.062 1.00 0.00 C ATOM 0 H LEU A 28 -10.609 -0.414 -2.428 1.00 0.00 H new ATOM 0 HA LEU A 28 -12.907 1.175 -2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.031 1.725 -2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.220 2.968 -2.588 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.400 0.826 -0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.071 2.703 0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.532 2.342 -1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.569 3.754 -0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.430 2.166 1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.047 3.276 -0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.591 1.582 -0.114 1.00 0.00 H new ATOM 488 N ARG A 29 -11.660 0.993 -5.248 1.00 0.00 N ATOM 489 CA ARG A 29 -12.074 1.240 -6.636 1.00 0.00 C ATOM 490 C ARG A 29 -13.335 0.440 -6.999 1.00 0.00 C ATOM 491 O ARG A 29 -14.115 0.886 -7.839 1.00 0.00 O ATOM 492 CB ARG A 29 -10.922 1.021 -7.627 1.00 0.00 C ATOM 493 CG ARG A 29 -10.609 -0.453 -7.864 1.00 0.00 C ATOM 494 CD ARG A 29 -9.505 -0.625 -8.906 1.00 0.00 C ATOM 495 NE ARG A 29 -9.609 -1.935 -9.575 1.00 0.00 N ATOM 496 CZ ARG A 29 -10.346 -2.210 -10.661 1.00 0.00 C ATOM 497 NH1 ARG A 29 -11.050 -1.266 -11.279 1.00 0.00 N ATOM 498 NH2 ARG A 29 -10.372 -3.450 -11.122 1.00 0.00 N ATOM 0 H ARG A 29 -10.727 0.595 -5.138 1.00 0.00 H new ATOM 0 HA ARG A 29 -12.342 2.293 -6.716 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.174 1.490 -8.578 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.028 1.520 -7.252 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.303 -0.917 -6.927 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.510 -0.969 -8.196 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.572 0.172 -9.647 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.530 -0.534 -8.427 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.070 -2.703 -9.175 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -11.037 -0.308 -10.928 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.603 -1.500 -12.104 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.836 -4.180 -10.652 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.928 -3.676 -11.947 1.00 0.00 H new ATOM 512 N PHE A 30 -13.546 -0.712 -6.357 1.00 0.00 N ATOM 513 CA PHE A 30 -14.756 -1.505 -6.483 1.00 0.00 C ATOM 514 C PHE A 30 -15.942 -0.817 -5.786 1.00 0.00 C ATOM 515 O PHE A 30 -17.069 -0.969 -6.250 1.00 0.00 O ATOM 516 CB PHE A 30 -14.461 -2.919 -5.947 1.00 0.00 C ATOM 517 CG PHE A 30 -15.636 -3.865 -5.826 1.00 0.00 C ATOM 518 CD1 PHE A 30 -16.291 -4.344 -6.974 1.00 0.00 C ATOM 519 CD2 PHE A 30 -16.042 -4.307 -4.553 1.00 0.00 C ATOM 520 CE1 PHE A 30 -17.334 -5.277 -6.848 1.00 0.00 C ATOM 521 CE2 PHE A 30 -17.080 -5.245 -4.427 1.00 0.00 C ATOM 522 CZ PHE A 30 -17.721 -5.733 -5.577 1.00 0.00 C ATOM 0 H PHE A 30 -12.861 -1.122 -5.723 1.00 0.00 H new ATOM 0 HA PHE A 30 -15.054 -1.594 -7.528 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.720 -3.381 -6.599 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.003 -2.820 -4.963 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -15.993 -3.995 -7.952 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.554 -3.923 -3.669 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -17.839 -5.644 -7.729 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -17.384 -5.589 -3.450 1.00 0.00 H new ATOM 0 HZ PHE A 30 -18.514 -6.461 -5.484 1.00 0.00 H new ATOM 532 N GLN A 31 -15.741 0.020 -4.757 1.00 0.00 N ATOM 533 CA GLN A 31 -16.801 0.818 -4.185 1.00 0.00 C ATOM 534 C GLN A 31 -17.125 1.950 -5.140 1.00 0.00 C ATOM 535 O GLN A 31 -18.274 2.357 -5.217 1.00 0.00 O ATOM 536 CB GLN A 31 -16.406 1.421 -2.831 1.00 0.00 C ATOM 537 CG GLN A 31 -16.173 0.394 -1.717 1.00 0.00 C ATOM 538 CD GLN A 31 -16.511 0.955 -0.332 1.00 0.00 C ATOM 539 OE1 GLN A 31 -16.722 2.149 -0.143 1.00 0.00 O ATOM 540 NE2 GLN A 31 -16.618 0.101 0.669 1.00 0.00 N ATOM 0 H GLN A 31 -14.835 0.152 -4.308 1.00 0.00 H new ATOM 0 HA GLN A 31 -17.661 0.168 -4.027 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.497 2.008 -2.961 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -17.188 2.110 -2.513 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -16.782 -0.490 -1.907 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.131 0.073 -1.733 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -16.443 -0.892 0.513 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -16.876 0.434 1.598 1.00 0.00 H new ATOM 549 N LEU A 32 -16.144 2.487 -5.864 1.00 0.00 N ATOM 550 CA LEU A 32 -16.375 3.602 -6.772 1.00 0.00 C ATOM 551 C LEU A 32 -17.280 3.176 -7.906 1.00 0.00 C ATOM 552 O LEU A 32 -18.294 3.812 -8.173 1.00 0.00 O ATOM 553 CB LEU A 32 -15.041 4.080 -7.333 1.00 0.00 C ATOM 554 CG LEU A 32 -15.097 5.407 -8.080 1.00 0.00 C ATOM 555 CD1 LEU A 32 -15.769 5.421 -9.453 1.00 0.00 C ATOM 556 CD2 LEU A 32 -15.631 6.544 -7.189 1.00 0.00 C ATOM 0 H LEU A 32 -15.177 2.163 -5.837 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.856 4.413 -6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.330 4.172 -6.512 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.652 3.317 -8.007 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.048 5.580 -8.319 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.735 6.430 -9.865 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.245 4.738 -10.122 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.807 5.105 -9.353 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.655 7.473 -7.759 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.638 6.299 -6.851 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.978 6.666 -6.325 1.00 0.00 H new ATOM 568 N ALA A 33 -16.880 2.073 -8.526 1.00 0.00 N ATOM 569 CA ALA A 33 -17.634 1.319 -9.509 1.00 0.00 C ATOM 570 C ALA A 33 -19.057 1.077 -9.017 1.00 0.00 C ATOM 571 O ALA A 33 -19.994 1.154 -9.811 1.00 0.00 O ATOM 572 CB ALA A 33 -16.921 -0.009 -9.802 1.00 0.00 C ATOM 0 H ALA A 33 -15.966 1.660 -8.342 1.00 0.00 H new ATOM 0 HA ALA A 33 -17.692 1.894 -10.433 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.491 -0.573 -10.541 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.922 0.192 -10.190 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.843 -0.591 -8.883 1.00 0.00 H new ATOM 578 N MET A 34 -19.228 0.772 -7.730 1.00 0.00 N ATOM 579 CA MET A 34 -20.521 0.508 -7.143 1.00 0.00 C ATOM 580 C MET A 34 -21.284 1.787 -6.788 1.00 0.00 C ATOM 581 O MET A 34 -22.495 1.752 -6.578 1.00 0.00 O ATOM 582 CB MET A 34 -20.314 -0.364 -5.905 1.00 0.00 C ATOM 583 CG MET A 34 -20.068 -1.816 -6.296 1.00 0.00 C ATOM 584 SD MET A 34 -21.598 -2.717 -6.620 1.00 0.00 S ATOM 585 CE MET A 34 -20.849 -4.320 -6.958 1.00 0.00 C ATOM 0 H MET A 34 -18.456 0.703 -7.067 1.00 0.00 H new ATOM 0 HA MET A 34 -21.137 -0.010 -7.878 1.00 0.00 H new ATOM 0 HB2 MET A 34 -19.467 0.010 -5.330 1.00 0.00 H new ATOM 0 HB3 MET A 34 -21.191 -0.301 -5.260 1.00 0.00 H new ATOM 0 HG2 MET A 34 -19.437 -1.847 -7.184 1.00 0.00 H new ATOM 0 HG3 MET A 34 -19.519 -2.315 -5.498 1.00 0.00 H new ATOM 0 HE1 MET A 34 -21.611 -5.008 -7.325 1.00 0.00 H new ATOM 0 HE2 MET A 34 -20.070 -4.206 -7.712 1.00 0.00 H new ATOM 0 HE3 MET A 34 -20.412 -4.718 -6.042 1.00 0.00 H new ATOM 595 N GLY A 35 -20.597 2.922 -6.696 1.00 0.00 N ATOM 596 CA GLY A 35 -21.141 4.231 -6.409 1.00 0.00 C ATOM 597 C GLY A 35 -21.174 4.546 -4.928 1.00 0.00 C ATOM 598 O GLY A 35 -22.054 5.275 -4.476 1.00 0.00 O ATOM 0 H GLY A 35 -19.586 2.946 -6.829 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -20.546 4.986 -6.922 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -22.152 4.294 -6.811 1.00 0.00 H new ATOM 602 N GLN A 36 -20.226 3.999 -4.168 1.00 0.00 N ATOM 603 CA GLN A 36 -20.267 3.989 -2.714 1.00 0.00 C ATOM 604 C GLN A 36 -19.034 4.693 -2.149 1.00 0.00 C ATOM 605 O GLN A 36 -19.046 5.139 -1.005 1.00 0.00 O ATOM 606 CB GLN A 36 -20.353 2.538 -2.204 1.00 0.00 C ATOM 607 CG GLN A 36 -21.301 1.647 -3.022 1.00 0.00 C ATOM 608 CD GLN A 36 -22.779 2.028 -2.878 1.00 0.00 C ATOM 609 OE1 GLN A 36 -23.244 2.352 -1.790 1.00 0.00 O ATOM 610 NE2 GLN A 36 -23.554 2.006 -3.947 1.00 0.00 N ATOM 0 H GLN A 36 -19.398 3.545 -4.554 1.00 0.00 H new ATOM 0 HA GLN A 36 -21.152 4.528 -2.375 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -19.356 2.099 -2.217 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -20.684 2.547 -1.165 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -21.021 1.703 -4.074 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -21.170 0.610 -2.712 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -23.167 1.737 -4.852 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -24.539 2.258 -3.868 1.00 0.00 H new ATOM 619 N LEU A 37 -17.974 4.768 -2.955 1.00 0.00 N ATOM 620 CA LEU A 37 -16.742 5.479 -2.639 1.00 0.00 C ATOM 621 C LEU A 37 -17.007 6.970 -2.467 1.00 0.00 C ATOM 622 O LEU A 37 -17.432 7.640 -3.407 1.00 0.00 O ATOM 623 CB LEU A 37 -15.688 5.216 -3.703 1.00 0.00 C ATOM 624 CG LEU A 37 -14.267 5.574 -3.235 1.00 0.00 C ATOM 625 CD1 LEU A 37 -13.255 4.940 -4.175 1.00 0.00 C ATOM 626 CD2 LEU A 37 -13.935 7.069 -3.182 1.00 0.00 C ATOM 0 H LEU A 37 -17.952 4.321 -3.872 1.00 0.00 H new ATOM 0 HA LEU A 37 -16.357 5.104 -1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.718 4.164 -3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.928 5.793 -4.596 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.220 5.199 -2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.246 5.191 -3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.380 3.857 -4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.412 5.316 -5.186 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.909 7.202 -2.839 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.044 7.501 -4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.616 7.569 -2.493 1.00 0.00 H new ATOM 638 N LYS A 38 -16.694 7.496 -1.284 1.00 0.00 N ATOM 639 CA LYS A 38 -16.801 8.901 -0.926 1.00 0.00 C ATOM 640 C LYS A 38 -15.709 9.708 -1.639 1.00 0.00 C ATOM 641 O LYS A 38 -14.727 10.097 -1.000 1.00 0.00 O ATOM 642 CB LYS A 38 -16.735 8.987 0.610 1.00 0.00 C ATOM 643 CG LYS A 38 -17.291 10.297 1.186 1.00 0.00 C ATOM 644 CD LYS A 38 -17.106 10.332 2.713 1.00 0.00 C ATOM 645 CE LYS A 38 -18.257 11.055 3.422 1.00 0.00 C ATOM 646 NZ LYS A 38 -18.172 10.920 4.891 1.00 0.00 N ATOM 0 H LYS A 38 -16.343 6.924 -0.516 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.744 9.339 -1.252 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -17.290 8.151 1.035 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -15.698 8.874 0.926 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.781 11.147 0.732 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -18.349 10.390 0.939 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -17.032 9.312 3.091 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.166 10.829 2.952 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -18.242 12.111 3.153 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -19.208 10.651 3.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.968 11.423 5.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.212 9.914 5.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.276 11.329 5.226 1.00 0.00 H new ATOM 660 N ASN A 39 -15.879 9.966 -2.942 1.00 0.00 N ATOM 661 CA ASN A 39 -15.052 10.784 -3.845 1.00 0.00 C ATOM 662 C ASN A 39 -13.612 10.284 -4.046 1.00 0.00 C ATOM 663 O ASN A 39 -12.816 10.169 -3.112 1.00 0.00 O ATOM 664 CB ASN A 39 -15.113 12.259 -3.424 1.00 0.00 C ATOM 665 CG ASN A 39 -14.089 13.193 -4.057 1.00 0.00 C ATOM 666 OD1 ASN A 39 -13.409 12.887 -5.028 1.00 0.00 O ATOM 667 ND2 ASN A 39 -13.983 14.388 -3.511 1.00 0.00 N ATOM 0 H ASN A 39 -16.676 9.570 -3.441 1.00 0.00 H new ATOM 0 HA ASN A 39 -15.491 10.679 -4.837 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -16.108 12.638 -3.655 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.996 12.309 -2.341 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.329 15.069 -3.897 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -14.555 14.632 -2.702 1.00 0.00 H new ATOM 674 N THR A 40 -13.260 10.065 -5.317 1.00 0.00 N ATOM 675 CA THR A 40 -11.987 9.557 -5.828 1.00 0.00 C ATOM 676 C THR A 40 -10.706 10.222 -5.303 1.00 0.00 C ATOM 677 O THR A 40 -9.641 9.611 -5.445 1.00 0.00 O ATOM 678 CB THR A 40 -11.987 9.637 -7.361 1.00 0.00 C ATOM 679 OG1 THR A 40 -12.193 10.970 -7.807 1.00 0.00 O ATOM 680 CG2 THR A 40 -13.040 8.721 -7.987 1.00 0.00 C ATOM 0 H THR A 40 -13.914 10.255 -6.076 1.00 0.00 H new ATOM 0 HA THR A 40 -11.943 8.535 -5.451 1.00 0.00 H new ATOM 0 HB THR A 40 -11.003 9.298 -7.686 1.00 0.00 H new ATOM 0 HG1 THR A 40 -12.187 10.992 -8.787 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.002 8.812 -9.073 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.840 7.688 -7.702 1.00 0.00 H new ATOM 0 HG23 THR A 40 -14.030 9.009 -7.633 1.00 0.00 H new ATOM 688 N SER A 41 -10.751 11.413 -4.696 1.00 0.00 N ATOM 689 CA SER A 41 -9.603 11.967 -3.979 1.00 0.00 C ATOM 690 C SER A 41 -9.052 10.951 -2.967 1.00 0.00 C ATOM 691 O SER A 41 -7.840 10.773 -2.861 1.00 0.00 O ATOM 692 CB SER A 41 -10.011 13.267 -3.281 1.00 0.00 C ATOM 693 OG SER A 41 -10.531 14.190 -4.220 1.00 0.00 O ATOM 0 H SER A 41 -11.576 12.013 -4.689 1.00 0.00 H new ATOM 0 HA SER A 41 -8.810 12.186 -4.694 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.758 13.057 -2.516 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.149 13.701 -2.774 1.00 0.00 H new ATOM 0 HG SER A 41 -10.789 15.015 -3.759 1.00 0.00 H new ATOM 699 N LEU A 42 -9.935 10.199 -2.295 1.00 0.00 N ATOM 700 CA LEU A 42 -9.565 9.123 -1.392 1.00 0.00 C ATOM 701 C LEU A 42 -8.726 8.087 -2.138 1.00 0.00 C ATOM 702 O LEU A 42 -7.640 7.749 -1.672 1.00 0.00 O ATOM 703 CB LEU A 42 -10.860 8.557 -0.781 1.00 0.00 C ATOM 704 CG LEU A 42 -10.797 7.289 0.089 1.00 0.00 C ATOM 705 CD1 LEU A 42 -10.840 6.011 -0.748 1.00 0.00 C ATOM 706 CD2 LEU A 42 -9.621 7.207 1.069 1.00 0.00 C ATOM 0 H LEU A 42 -10.943 10.332 -2.372 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.937 9.473 -0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.308 9.346 -0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.548 8.356 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.696 7.374 0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.793 5.143 -0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.767 5.982 -1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.991 5.995 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.678 6.273 1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.683 7.242 0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.665 8.048 1.761 1.00 0.00 H new ATOM 718 N ILE A 43 -9.168 7.600 -3.304 1.00 0.00 N ATOM 719 CA ILE A 43 -8.390 6.631 -4.076 1.00 0.00 C ATOM 720 C ILE A 43 -7.016 7.206 -4.395 1.00 0.00 C ATOM 721 O ILE A 43 -6.043 6.524 -4.107 1.00 0.00 O ATOM 722 CB ILE A 43 -9.149 6.103 -5.318 1.00 0.00 C ATOM 723 CG1 ILE A 43 -9.874 4.785 -4.971 1.00 0.00 C ATOM 724 CG2 ILE A 43 -8.268 5.927 -6.574 1.00 0.00 C ATOM 725 CD1 ILE A 43 -9.009 3.526 -4.929 1.00 0.00 C ATOM 0 H ILE A 43 -10.057 7.862 -3.730 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.238 5.744 -3.462 1.00 0.00 H new ATOM 0 HB ILE A 43 -9.875 6.873 -5.580 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.352 4.904 -3.999 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.669 4.630 -5.701 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.878 5.554 -7.397 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.833 6.887 -6.851 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.470 5.215 -6.362 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.630 2.667 -4.675 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.550 3.367 -5.905 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.229 3.645 -4.177 1.00 0.00 H new ATOM 737 N LYS A 44 -6.887 8.428 -4.919 1.00 0.00 N ATOM 738 CA LYS A 44 -5.602 9.061 -5.174 1.00 0.00 C ATOM 739 C LYS A 44 -4.715 9.018 -3.926 1.00 0.00 C ATOM 740 O LYS A 44 -3.531 8.679 -4.011 1.00 0.00 O ATOM 741 CB LYS A 44 -5.881 10.488 -5.698 1.00 0.00 C ATOM 742 CG LYS A 44 -4.790 11.527 -5.422 1.00 0.00 C ATOM 743 CD LYS A 44 -3.436 11.143 -6.023 1.00 0.00 C ATOM 744 CE LYS A 44 -2.297 11.428 -5.033 1.00 0.00 C ATOM 745 NZ LYS A 44 -2.089 12.880 -4.804 1.00 0.00 N ATOM 0 H LYS A 44 -7.685 9.008 -5.179 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.036 8.523 -5.935 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.040 10.434 -6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.812 10.841 -5.255 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.102 12.490 -5.827 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.681 11.654 -4.345 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.438 10.086 -6.287 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.271 11.702 -6.944 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.517 10.942 -4.082 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.374 10.988 -5.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.310 13.017 -4.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.852 13.343 -5.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.959 13.299 -4.418 1.00 0.00 H new ATOM 759 N LEU A 45 -5.259 9.347 -2.759 1.00 0.00 N ATOM 760 CA LEU A 45 -4.495 9.548 -1.553 1.00 0.00 C ATOM 761 C LEU A 45 -4.162 8.202 -0.903 1.00 0.00 C ATOM 762 O LEU A 45 -3.272 8.124 -0.055 1.00 0.00 O ATOM 763 CB LEU A 45 -5.361 10.384 -0.627 1.00 0.00 C ATOM 764 CG LEU A 45 -5.315 11.901 -0.888 1.00 0.00 C ATOM 765 CD1 LEU A 45 -5.873 12.572 0.352 1.00 0.00 C ATOM 766 CD2 LEU A 45 -3.926 12.489 -1.171 1.00 0.00 C ATOM 0 H LEU A 45 -6.262 9.482 -2.632 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.550 10.049 -1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.393 10.046 -0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.052 10.198 0.402 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.889 12.081 -1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.862 13.654 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.897 12.237 0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.262 12.308 1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.013 13.562 -1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.273 12.308 -0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.504 12.015 -2.057 1.00 0.00 H new ATOM 778 N THR A 46 -4.829 7.139 -1.340 1.00 0.00 N ATOM 779 CA THR A 46 -4.560 5.765 -0.978 1.00 0.00 C ATOM 780 C THR A 46 -3.508 5.247 -1.952 1.00 0.00 C ATOM 781 O THR A 46 -2.430 4.856 -1.534 1.00 0.00 O ATOM 782 CB THR A 46 -5.912 5.024 -1.023 1.00 0.00 C ATOM 783 OG1 THR A 46 -6.819 5.731 -0.210 1.00 0.00 O ATOM 784 CG2 THR A 46 -5.926 3.601 -0.482 1.00 0.00 C ATOM 0 H THR A 46 -5.611 7.225 -1.989 1.00 0.00 H new ATOM 0 HA THR A 46 -4.154 5.623 0.024 1.00 0.00 H new ATOM 0 HB THR A 46 -6.158 4.971 -2.084 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.152 6.514 -0.696 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.931 3.189 -0.569 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.231 2.987 -1.055 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.625 3.607 0.566 1.00 0.00 H new ATOM 792 N LYS A 47 -3.761 5.329 -3.258 1.00 0.00 N ATOM 793 CA LYS A 47 -2.912 4.926 -4.370 1.00 0.00 C ATOM 794 C LYS A 47 -1.476 5.385 -4.198 1.00 0.00 C ATOM 795 O LYS A 47 -0.586 4.566 -4.397 1.00 0.00 O ATOM 796 CB LYS A 47 -3.534 5.489 -5.661 1.00 0.00 C ATOM 797 CG LYS A 47 -2.775 5.148 -6.944 1.00 0.00 C ATOM 798 CD LYS A 47 -2.771 3.644 -7.238 1.00 0.00 C ATOM 799 CE LYS A 47 -2.270 3.363 -8.662 1.00 0.00 C ATOM 800 NZ LYS A 47 -3.388 3.233 -9.622 1.00 0.00 N ATOM 0 H LYS A 47 -4.645 5.714 -3.590 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.865 3.838 -4.414 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.554 5.114 -5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.600 6.573 -5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.227 5.678 -7.782 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.747 5.502 -6.860 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.135 3.131 -6.517 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.778 3.244 -7.117 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.609 4.169 -8.981 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.680 2.447 -8.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.010 3.044 -10.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.005 2.447 -9.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.937 4.116 -9.638 1.00 0.00 H new ATOM 814 N ARG A 48 -1.238 6.639 -3.811 1.00 0.00 N ATOM 815 CA ARG A 48 0.106 7.145 -3.524 1.00 0.00 C ATOM 816 C ARG A 48 0.853 6.223 -2.577 1.00 0.00 C ATOM 817 O ARG A 48 1.950 5.768 -2.897 1.00 0.00 O ATOM 818 CB ARG A 48 0.005 8.597 -3.012 1.00 0.00 C ATOM 819 CG ARG A 48 -0.768 8.828 -1.708 1.00 0.00 C ATOM 820 CD ARG A 48 -0.829 10.289 -1.231 1.00 0.00 C ATOM 821 NE ARG A 48 0.342 10.659 -0.418 1.00 0.00 N ATOM 822 CZ ARG A 48 0.612 10.222 0.822 1.00 0.00 C ATOM 823 NH1 ARG A 48 -0.266 9.455 1.471 1.00 0.00 N ATOM 824 NH2 ARG A 48 1.773 10.538 1.381 1.00 0.00 N ATOM 0 H ARG A 48 -1.974 7.335 -3.687 1.00 0.00 H new ATOM 0 HA ARG A 48 0.698 7.159 -4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.017 8.979 -2.877 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.461 9.199 -3.792 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -1.787 8.463 -1.839 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -0.312 8.225 -0.923 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.892 10.949 -2.096 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.737 10.441 -0.647 1.00 0.00 H new ATOM 0 HE ARG A 48 1.009 11.307 -0.836 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.147 9.198 1.025 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.056 9.125 2.413 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.448 11.106 0.869 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.991 10.212 2.323 1.00 0.00 H new ATOM 838 N ASP A 49 0.238 5.941 -1.440 1.00 0.00 N ATOM 839 CA ASP A 49 0.765 5.115 -0.364 1.00 0.00 C ATOM 840 C ASP A 49 0.668 3.654 -0.755 1.00 0.00 C ATOM 841 O ASP A 49 1.533 2.908 -0.333 1.00 0.00 O ATOM 842 CB ASP A 49 -0.061 5.375 0.911 1.00 0.00 C ATOM 843 CG ASP A 49 0.579 6.393 1.860 1.00 0.00 C ATOM 844 OD1 ASP A 49 1.799 6.674 1.729 1.00 0.00 O ATOM 845 OD2 ASP A 49 -0.124 6.936 2.732 1.00 0.00 O ATOM 0 H ASP A 49 -0.693 6.302 -1.231 1.00 0.00 H new ATOM 0 HA ASP A 49 1.810 5.362 -0.179 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.052 5.729 0.626 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.200 4.433 1.442 1.00 0.00 H new ATOM 850 N ILE A 50 -0.260 3.211 -1.613 1.00 0.00 N ATOM 851 CA ILE A 50 -0.228 1.818 -2.071 1.00 0.00 C ATOM 852 C ILE A 50 1.016 1.662 -2.901 1.00 0.00 C ATOM 853 O ILE A 50 1.847 0.833 -2.594 1.00 0.00 O ATOM 854 CB ILE A 50 -1.480 1.344 -2.849 1.00 0.00 C ATOM 855 CG1 ILE A 50 -2.472 0.749 -1.850 1.00 0.00 C ATOM 856 CG2 ILE A 50 -1.203 0.201 -3.852 1.00 0.00 C ATOM 857 CD1 ILE A 50 -3.152 1.795 -0.982 1.00 0.00 C ATOM 0 H ILE A 50 -1.019 3.776 -1.993 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.224 1.177 -1.190 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.841 2.220 -3.389 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.232 0.188 -2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.950 0.039 -1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.130 -0.073 -4.356 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.473 0.534 -4.590 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.810 -0.664 -3.318 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.843 1.305 -0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.399 2.340 -0.412 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.702 2.491 -1.615 1.00 0.00 H new ATOM 869 N ALA A 51 1.200 2.471 -3.934 1.00 0.00 N ATOM 870 CA ALA A 51 2.307 2.302 -4.863 1.00 0.00 C ATOM 871 C ALA A 51 3.663 2.650 -4.219 1.00 0.00 C ATOM 872 O ALA A 51 4.705 2.603 -4.869 1.00 0.00 O ATOM 873 CB ALA A 51 2.010 3.171 -6.076 1.00 0.00 C ATOM 0 H ALA A 51 0.590 3.259 -4.151 1.00 0.00 H new ATOM 0 HA ALA A 51 2.394 1.257 -5.160 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.819 3.073 -6.800 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.073 2.851 -6.532 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.925 4.212 -5.765 1.00 0.00 H new ATOM 879 N ARG A 52 3.648 3.028 -2.947 1.00 0.00 N ATOM 880 CA ARG A 52 4.757 3.254 -2.034 1.00 0.00 C ATOM 881 C ARG A 52 4.953 2.029 -1.129 1.00 0.00 C ATOM 882 O ARG A 52 6.006 1.396 -1.184 1.00 0.00 O ATOM 883 CB ARG A 52 4.362 4.591 -1.364 1.00 0.00 C ATOM 884 CG ARG A 52 4.702 5.070 0.032 1.00 0.00 C ATOM 885 CD ARG A 52 6.084 4.725 0.464 1.00 0.00 C ATOM 886 NE ARG A 52 6.925 5.888 0.782 1.00 0.00 N ATOM 887 CZ ARG A 52 7.104 6.422 2.000 1.00 0.00 C ATOM 888 NH1 ARG A 52 6.341 6.098 3.032 1.00 0.00 N ATOM 889 NH2 ARG A 52 8.077 7.289 2.217 1.00 0.00 N ATOM 0 H ARG A 52 2.758 3.202 -2.480 1.00 0.00 H new ATOM 0 HA ARG A 52 5.749 3.353 -2.474 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.741 5.366 -2.031 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.274 4.626 -1.420 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.577 6.152 0.076 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.992 4.638 0.737 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.028 4.081 1.341 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.566 4.148 -0.325 1.00 0.00 H new ATOM 0 HE ARG A 52 7.418 6.330 0.006 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.587 5.421 2.916 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.507 6.525 3.943 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.700 7.558 1.455 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.205 7.690 3.146 1.00 0.00 H new ATOM 903 N ILE A 53 3.954 1.653 -0.342 1.00 0.00 N ATOM 904 CA ILE A 53 3.909 0.507 0.561 1.00 0.00 C ATOM 905 C ILE A 53 3.978 -0.793 -0.216 1.00 0.00 C ATOM 906 O ILE A 53 4.825 -1.626 0.075 1.00 0.00 O ATOM 907 CB ILE A 53 2.651 0.630 1.455 1.00 0.00 C ATOM 908 CG1 ILE A 53 2.684 1.905 2.325 1.00 0.00 C ATOM 909 CG2 ILE A 53 2.529 -0.552 2.406 1.00 0.00 C ATOM 910 CD1 ILE A 53 1.343 2.319 2.911 1.00 0.00 C ATOM 0 H ILE A 53 3.083 2.183 -0.315 1.00 0.00 H new ATOM 0 HA ILE A 53 4.780 0.499 1.216 1.00 0.00 H new ATOM 0 HB ILE A 53 1.805 0.664 0.769 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.388 1.751 3.142 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.070 2.728 1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.636 -0.435 3.019 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.456 -1.475 1.831 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.408 -0.594 3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.469 3.224 3.505 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.637 2.511 2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.960 1.519 3.545 1.00 0.00 H new ATOM 922 N LYS A 54 3.127 -1.009 -1.209 1.00 0.00 N ATOM 923 CA LYS A 54 3.154 -2.236 -1.985 1.00 0.00 C ATOM 924 C LYS A 54 4.521 -2.413 -2.638 1.00 0.00 C ATOM 925 O LYS A 54 5.015 -3.533 -2.747 1.00 0.00 O ATOM 926 CB LYS A 54 1.962 -2.292 -2.976 1.00 0.00 C ATOM 927 CG LYS A 54 2.179 -1.598 -4.335 1.00 0.00 C ATOM 928 CD LYS A 54 2.894 -2.485 -5.370 1.00 0.00 C ATOM 929 CE LYS A 54 2.301 -2.233 -6.762 1.00 0.00 C ATOM 930 NZ LYS A 54 2.802 -3.193 -7.759 1.00 0.00 N ATOM 0 H LYS A 54 2.407 -0.346 -1.495 1.00 0.00 H new ATOM 0 HA LYS A 54 3.019 -3.094 -1.326 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.717 -3.338 -3.160 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.094 -1.841 -2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.213 -1.292 -4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.762 -0.690 -4.181 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.962 -2.268 -5.374 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.784 -3.536 -5.101 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.214 -2.299 -6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.544 -1.219 -7.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.376 -2.986 -8.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.837 -3.113 -7.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.548 -4.159 -7.469 1.00 0.00 H new ATOM 944 N THR A 55 5.157 -1.303 -3.014 1.00 0.00 N ATOM 945 CA THR A 55 6.482 -1.327 -3.580 1.00 0.00 C ATOM 946 C THR A 55 7.504 -1.789 -2.538 1.00 0.00 C ATOM 947 O THR A 55 8.373 -2.551 -2.913 1.00 0.00 O ATOM 948 CB THR A 55 6.752 0.052 -4.179 1.00 0.00 C ATOM 949 OG1 THR A 55 5.790 0.289 -5.185 1.00 0.00 O ATOM 950 CG2 THR A 55 8.132 0.227 -4.789 1.00 0.00 C ATOM 0 H THR A 55 4.758 -0.368 -2.930 1.00 0.00 H new ATOM 0 HA THR A 55 6.571 -2.057 -4.385 1.00 0.00 H new ATOM 0 HB THR A 55 6.694 0.761 -3.353 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.631 1.253 -5.265 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.228 1.237 -5.187 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.891 0.065 -4.024 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.268 -0.495 -5.594 1.00 0.00 H new ATOM 958 N ILE A 56 7.399 -1.448 -1.246 1.00 0.00 N ATOM 959 CA ILE A 56 8.348 -1.910 -0.212 1.00 0.00 C ATOM 960 C ILE A 56 8.503 -3.433 -0.259 1.00 0.00 C ATOM 961 O ILE A 56 9.632 -3.926 -0.227 1.00 0.00 O ATOM 962 CB ILE A 56 7.920 -1.412 1.188 1.00 0.00 C ATOM 963 CG1 ILE A 56 8.188 0.093 1.306 1.00 0.00 C ATOM 964 CG2 ILE A 56 8.488 -2.170 2.405 1.00 0.00 C ATOM 965 CD1 ILE A 56 9.577 0.472 1.807 1.00 0.00 C ATOM 0 H ILE A 56 6.658 -0.847 -0.885 1.00 0.00 H new ATOM 0 HA ILE A 56 9.327 -1.479 -0.421 1.00 0.00 H new ATOM 0 HB ILE A 56 6.853 -1.631 1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.036 0.550 0.328 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.447 0.525 1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.110 -1.720 3.323 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.180 -3.215 2.359 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.576 -2.112 2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.663 1.558 1.854 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.732 0.052 2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.330 0.077 1.125 1.00 0.00 H new ATOM 977 N LEU A 57 7.387 -4.160 -0.376 1.00 0.00 N ATOM 978 CA LEU A 57 7.378 -5.612 -0.539 1.00 0.00 C ATOM 979 C LEU A 57 8.128 -5.998 -1.818 1.00 0.00 C ATOM 980 O LEU A 57 9.059 -6.800 -1.746 1.00 0.00 O ATOM 981 CB LEU A 57 5.930 -6.133 -0.437 1.00 0.00 C ATOM 982 CG LEU A 57 5.872 -7.618 -0.017 1.00 0.00 C ATOM 983 CD1 LEU A 57 4.540 -7.957 0.664 1.00 0.00 C ATOM 984 CD2 LEU A 57 6.101 -8.507 -1.232 1.00 0.00 C ATOM 0 H LEU A 57 6.454 -3.748 -0.360 1.00 0.00 H new ATOM 0 HA LEU A 57 7.921 -6.107 0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.379 -5.531 0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.433 -6.010 -1.399 1.00 0.00 H new ATOM 0 HG LEU A 57 6.663 -7.800 0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.533 -9.010 0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.420 -7.341 1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.719 -7.761 -0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.059 -9.554 -0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.328 -8.313 -1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.080 -8.292 -1.661 1.00 0.00 H new ATOM 996 N ARG A 58 7.795 -5.395 -2.968 1.00 0.00 N ATOM 997 CA ARG A 58 8.504 -5.604 -4.238 1.00 0.00 C ATOM 998 C ARG A 58 10.008 -5.442 -4.049 1.00 0.00 C ATOM 999 O ARG A 58 10.767 -6.318 -4.438 1.00 0.00 O ATOM 1000 CB ARG A 58 7.995 -4.619 -5.311 1.00 0.00 C ATOM 1001 CG ARG A 58 7.684 -5.256 -6.671 1.00 0.00 C ATOM 1002 CD ARG A 58 8.721 -6.224 -7.252 1.00 0.00 C ATOM 1003 NE ARG A 58 8.116 -7.090 -8.276 1.00 0.00 N ATOM 1004 CZ ARG A 58 8.667 -7.489 -9.427 1.00 0.00 C ATOM 1005 NH1 ARG A 58 9.752 -6.905 -9.924 1.00 0.00 N ATOM 1006 NH2 ARG A 58 8.116 -8.503 -10.083 1.00 0.00 N ATOM 0 H ARG A 58 7.016 -4.741 -3.043 1.00 0.00 H new ATOM 0 HA ARG A 58 8.304 -6.621 -4.574 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.094 -4.132 -4.939 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.743 -3.839 -5.453 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.737 -5.789 -6.584 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.532 -4.453 -7.392 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.546 -5.661 -7.688 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.140 -6.836 -6.454 1.00 0.00 H new ATOM 0 HE ARG A 58 7.171 -7.423 -8.087 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.188 -6.130 -9.425 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.149 -7.232 -10.805 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.287 -8.963 -9.707 1.00 0.00 H new ATOM 0 HH22 ARG A 58 8.522 -8.822 -10.963 1.00 0.00 H new ATOM 1020 N GLU A 59 10.439 -4.350 -3.429 1.00 0.00 N ATOM 1021 CA GLU A 59 11.835 -3.963 -3.290 1.00 0.00 C ATOM 1022 C GLU A 59 12.597 -5.020 -2.472 1.00 0.00 C ATOM 1023 O GLU A 59 13.790 -5.222 -2.689 1.00 0.00 O ATOM 1024 CB GLU A 59 11.919 -2.572 -2.634 1.00 0.00 C ATOM 1025 CG GLU A 59 11.109 -1.483 -3.378 1.00 0.00 C ATOM 1026 CD GLU A 59 11.852 -0.522 -4.305 1.00 0.00 C ATOM 1027 OE1 GLU A 59 12.106 -0.895 -5.471 1.00 0.00 O ATOM 1028 OE2 GLU A 59 11.986 0.674 -3.940 1.00 0.00 O ATOM 0 H GLU A 59 9.800 -3.685 -2.993 1.00 0.00 H new ATOM 0 HA GLU A 59 12.302 -3.906 -4.273 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.559 -2.642 -1.607 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.964 -2.265 -2.585 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.343 -1.986 -3.968 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.592 -0.885 -2.628 1.00 0.00 H new ATOM 1035 N ARG A 60 11.927 -5.728 -1.554 1.00 0.00 N ATOM 1036 CA ARG A 60 12.540 -6.809 -0.783 1.00 0.00 C ATOM 1037 C ARG A 60 12.548 -8.135 -1.527 1.00 0.00 C ATOM 1038 O ARG A 60 13.363 -8.997 -1.194 1.00 0.00 O ATOM 1039 CB ARG A 60 11.838 -6.998 0.568 1.00 0.00 C ATOM 1040 CG ARG A 60 12.023 -5.813 1.525 1.00 0.00 C ATOM 1041 CD ARG A 60 11.939 -6.294 2.983 1.00 0.00 C ATOM 1042 NE ARG A 60 13.165 -6.999 3.409 1.00 0.00 N ATOM 1043 CZ ARG A 60 14.313 -6.487 3.880 1.00 0.00 C ATOM 1044 NH1 ARG A 60 14.446 -5.190 4.123 1.00 0.00 N ATOM 1045 NH2 ARG A 60 15.339 -7.285 4.114 1.00 0.00 N ATOM 0 H ARG A 60 10.946 -5.565 -1.327 1.00 0.00 H new ATOM 0 HA ARG A 60 13.574 -6.505 -0.622 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.773 -7.153 0.396 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.219 -7.902 1.043 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.987 -5.338 1.346 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.257 -5.061 1.337 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.768 -5.439 3.637 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.082 -6.958 3.096 1.00 0.00 H new ATOM 0 HE ARG A 60 13.135 -8.016 3.335 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.665 -4.556 3.952 1.00 0.00 H new ATOM 0 HH12 ARG A 60 15.329 -4.826 4.481 1.00 0.00 H new ATOM 0 HH21 ARG A 60 15.257 -8.286 3.937 1.00 0.00 H new ATOM 0 HH22 ARG A 60 16.213 -6.900 4.472 1.00 0.00 H new ATOM 1059 N GLU A 61 11.686 -8.311 -2.524 1.00 0.00 N ATOM 1060 CA GLU A 61 11.655 -9.518 -3.331 1.00 0.00 C ATOM 1061 C GLU A 61 12.973 -9.627 -4.098 1.00 0.00 C ATOM 1062 O GLU A 61 13.677 -10.624 -3.934 1.00 0.00 O ATOM 1063 CB GLU A 61 10.426 -9.582 -4.252 1.00 0.00 C ATOM 1064 CG GLU A 61 9.109 -9.868 -3.513 1.00 0.00 C ATOM 1065 CD GLU A 61 8.001 -10.263 -4.494 1.00 0.00 C ATOM 1066 OE1 GLU A 61 8.147 -11.259 -5.241 1.00 0.00 O ATOM 1067 OE2 GLU A 61 6.985 -9.537 -4.595 1.00 0.00 O ATOM 0 H GLU A 61 10.989 -7.616 -2.793 1.00 0.00 H new ATOM 0 HA GLU A 61 11.554 -10.382 -2.675 1.00 0.00 H new ATOM 0 HB2 GLU A 61 10.334 -8.636 -4.785 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.586 -10.356 -5.002 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.261 -10.669 -2.789 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.804 -8.985 -2.952 1.00 0.00 H new ATOM 1074 N LEU A 62 13.325 -8.635 -4.929 1.00 0.00 N ATOM 1075 CA LEU A 62 14.516 -8.722 -5.776 1.00 0.00 C ATOM 1076 C LEU A 62 15.782 -8.332 -5.010 1.00 0.00 C ATOM 1077 O LEU A 62 16.891 -8.529 -5.514 1.00 0.00 O ATOM 1078 CB LEU A 62 14.414 -7.847 -7.045 1.00 0.00 C ATOM 1079 CG LEU A 62 13.033 -7.445 -7.595 1.00 0.00 C ATOM 1080 CD1 LEU A 62 11.998 -8.575 -7.620 1.00 0.00 C ATOM 1081 CD2 LEU A 62 12.568 -6.156 -6.915 1.00 0.00 C ATOM 0 H LEU A 62 12.801 -7.766 -5.030 1.00 0.00 H new ATOM 0 HA LEU A 62 14.578 -9.766 -6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.965 -6.927 -6.849 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.941 -8.371 -7.843 1.00 0.00 H new ATOM 0 HG LEU A 62 13.145 -7.234 -8.659 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.058 -8.198 -8.022 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.362 -9.388 -8.248 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.837 -8.944 -6.607 1.00 0.00 H new ATOM 0 HD21 LEU A 62 11.590 -5.871 -7.304 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.497 -6.317 -5.839 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.285 -5.360 -7.116 1.00 0.00 H new ATOM 1093 N GLY A 63 15.634 -7.730 -3.829 1.00 0.00 N ATOM 1094 CA GLY A 63 16.748 -7.193 -3.071 1.00 0.00 C ATOM 1095 C GLY A 63 17.212 -5.882 -3.692 1.00 0.00 C ATOM 1096 O GLY A 63 18.393 -5.726 -3.998 1.00 0.00 O ATOM 0 H GLY A 63 14.729 -7.604 -3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.450 -7.030 -2.035 1.00 0.00 H new ATOM 0 HA3 GLY A 63 17.569 -7.910 -3.057 1.00 0.00 H new ATOM 1100 N ILE A 64 16.281 -4.955 -3.922 1.00 0.00 N ATOM 1101 CA ILE A 64 16.538 -3.522 -3.949 1.00 0.00 C ATOM 1102 C ILE A 64 16.739 -3.022 -2.513 1.00 0.00 C ATOM 1103 O ILE A 64 17.334 -1.970 -2.277 1.00 0.00 O ATOM 1104 CB ILE A 64 15.322 -2.828 -4.597 1.00 0.00 C ATOM 1105 CG1 ILE A 64 15.106 -3.235 -6.065 1.00 0.00 C ATOM 1106 CG2 ILE A 64 15.396 -1.306 -4.442 1.00 0.00 C ATOM 1107 CD1 ILE A 64 16.173 -2.702 -7.017 1.00 0.00 C ATOM 0 H ILE A 64 15.304 -5.190 -4.099 1.00 0.00 H new ATOM 0 HA ILE A 64 17.436 -3.298 -4.525 1.00 0.00 H new ATOM 0 HB ILE A 64 14.446 -3.180 -4.052 1.00 0.00 H new ATOM 0 HG12 ILE A 64 15.085 -4.323 -6.131 1.00 0.00 H new ATOM 0 HG13 ILE A 64 14.130 -2.877 -6.391 1.00 0.00 H new ATOM 0 HG21 ILE A 64 14.524 -0.850 -4.910 1.00 0.00 H new ATOM 0 HG22 ILE A 64 15.416 -1.049 -3.383 1.00 0.00 H new ATOM 0 HG23 ILE A 64 16.301 -0.935 -4.923 1.00 0.00 H new ATOM 0 HD11 ILE A 64 15.952 -3.031 -8.032 1.00 0.00 H new ATOM 0 HD12 ILE A 64 16.180 -1.613 -6.982 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.150 -3.081 -6.718 1.00 0.00 H new