USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 599 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 18 HIS : no HE2:sc= 0.551 K(o=1.3,f=-2.8) USER MOD Set 1.2: A 33 TYR OH : rot 8:sc= 0.791 USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0242 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 180:sc= -0.102 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -168:sc=-0.00433 (180deg=-0.123) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -127:sc= -2.15 (180deg=-5.21!) USER MOD Single : A 39 GLN : amide:sc= -1.49 K(o=-1.5,f=-2.7) USER MOD Single : A 41 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.198) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 75:sc= 1.21 USER MOD Single : A 49 ASN : amide:sc=-0.00816 K(o=-0.0082,f=-2.9!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0777 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 42:sc= 0.189 USER MOD Single : A 71 ASN : amide:sc=-0.00687 K(o=-0.0069,f=-1.5) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.032 12.100 -14.115 1.00 0.00 N ATOM 2 CA GLY A 1 -29.112 11.689 -12.726 1.00 0.00 C ATOM 3 C GLY A 1 -28.944 12.851 -11.767 1.00 0.00 C ATOM 4 O GLY A 1 -29.357 13.972 -12.061 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.817 11.675 -14.649 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.094 13.136 -14.174 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.127 11.784 -14.519 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -30.075 11.210 -12.547 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.343 10.943 -12.526 1.00 0.00 H new ATOM 8 N SER A 2 -28.336 12.583 -10.616 1.00 0.00 N ATOM 9 CA SER A 2 -28.119 13.614 -9.608 1.00 0.00 C ATOM 10 C SER A 2 -26.648 14.013 -9.546 1.00 0.00 C ATOM 11 O SER A 2 -25.759 13.171 -9.671 1.00 0.00 O ATOM 12 CB SER A 2 -28.583 13.122 -8.236 1.00 0.00 C ATOM 13 OG SER A 2 -29.994 13.004 -8.187 1.00 0.00 O ATOM 0 H SER A 2 -27.985 11.661 -10.358 1.00 0.00 H new ATOM 0 HA SER A 2 -28.704 14.490 -9.889 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.126 12.156 -8.019 1.00 0.00 H new ATOM 0 HB3 SER A 2 -28.246 13.815 -7.465 1.00 0.00 H new ATOM 0 HG SER A 2 -30.265 12.686 -7.300 1.00 0.00 H new ATOM 19 N SER A 3 -26.399 15.305 -9.354 1.00 0.00 N ATOM 20 CA SER A 3 -25.036 15.818 -9.280 1.00 0.00 C ATOM 21 C SER A 3 -24.439 15.577 -7.896 1.00 0.00 C ATOM 22 O SER A 3 -25.106 15.765 -6.880 1.00 0.00 O ATOM 23 CB SER A 3 -25.012 17.312 -9.605 1.00 0.00 C ATOM 24 OG SER A 3 -23.752 17.702 -10.124 1.00 0.00 O ATOM 0 H SER A 3 -27.123 16.015 -9.247 1.00 0.00 H new ATOM 0 HA SER A 3 -24.433 15.284 -10.015 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.794 17.542 -10.329 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.232 17.887 -8.705 1.00 0.00 H new ATOM 0 HG SER A 3 -23.764 18.661 -10.325 1.00 0.00 H new ATOM 30 N GLY A 4 -23.177 15.160 -7.867 1.00 0.00 N ATOM 31 CA GLY A 4 -22.511 14.900 -6.604 1.00 0.00 C ATOM 32 C GLY A 4 -21.076 15.391 -6.594 1.00 0.00 C ATOM 33 O GLY A 4 -20.810 16.544 -6.256 1.00 0.00 O ATOM 0 H GLY A 4 -22.604 14.998 -8.695 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.063 15.385 -5.799 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.527 13.829 -6.402 1.00 0.00 H new ATOM 37 N SER A 5 -20.150 14.513 -6.964 1.00 0.00 N ATOM 38 CA SER A 5 -18.734 14.861 -6.990 1.00 0.00 C ATOM 39 C SER A 5 -18.283 15.196 -8.409 1.00 0.00 C ATOM 40 O SER A 5 -18.293 14.340 -9.293 1.00 0.00 O ATOM 41 CB SER A 5 -17.893 13.710 -6.435 1.00 0.00 C ATOM 42 OG SER A 5 -16.593 14.151 -6.083 1.00 0.00 O ATOM 0 H SER A 5 -20.354 13.555 -7.250 1.00 0.00 H new ATOM 0 HA SER A 5 -18.591 15.741 -6.363 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.385 13.285 -5.560 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.822 12.916 -7.178 1.00 0.00 H new ATOM 0 HG SER A 5 -16.076 13.397 -5.729 1.00 0.00 H new ATOM 48 N SER A 6 -17.889 16.448 -8.617 1.00 0.00 N ATOM 49 CA SER A 6 -17.439 16.900 -9.929 1.00 0.00 C ATOM 50 C SER A 6 -15.934 17.150 -9.929 1.00 0.00 C ATOM 51 O SER A 6 -15.451 18.099 -10.546 1.00 0.00 O ATOM 52 CB SER A 6 -18.179 18.175 -10.335 1.00 0.00 C ATOM 53 OG SER A 6 -17.845 19.254 -9.480 1.00 0.00 O ATOM 0 H SER A 6 -17.872 17.168 -7.894 1.00 0.00 H new ATOM 0 HA SER A 6 -17.660 16.115 -10.652 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.929 18.432 -11.364 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.254 18.001 -10.302 1.00 0.00 H new ATOM 0 HG SER A 6 -18.330 20.057 -9.762 1.00 0.00 H new ATOM 59 N GLY A 7 -15.197 16.291 -9.232 1.00 0.00 N ATOM 60 CA GLY A 7 -13.754 16.435 -9.164 1.00 0.00 C ATOM 61 C GLY A 7 -13.024 15.235 -9.735 1.00 0.00 C ATOM 62 O GLY A 7 -13.393 14.091 -9.469 1.00 0.00 O ATOM 0 H GLY A 7 -15.573 15.498 -8.713 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.455 17.331 -9.708 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.455 16.578 -8.126 1.00 0.00 H new ATOM 66 N CYS A 8 -11.988 15.496 -10.524 1.00 0.00 N ATOM 67 CA CYS A 8 -11.205 14.429 -11.136 1.00 0.00 C ATOM 68 C CYS A 8 -9.724 14.582 -10.807 1.00 0.00 C ATOM 69 O CYS A 8 -8.867 14.463 -11.683 1.00 0.00 O ATOM 70 CB CYS A 8 -11.405 14.427 -12.653 1.00 0.00 C ATOM 71 SG CYS A 8 -10.853 12.911 -13.468 1.00 0.00 S ATOM 0 H CYS A 8 -11.671 16.437 -10.755 1.00 0.00 H new ATOM 0 HA CYS A 8 -11.552 13.479 -10.729 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -12.462 14.579 -12.869 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.867 15.273 -13.081 1.00 0.00 H new ATOM 0 HG CYS A 8 -11.065 13.004 -14.747 1.00 0.00 H new ATOM 77 N SER A 9 -9.430 14.848 -9.538 1.00 0.00 N ATOM 78 CA SER A 9 -8.052 15.024 -9.094 1.00 0.00 C ATOM 79 C SER A 9 -7.432 13.686 -8.704 1.00 0.00 C ATOM 80 O SER A 9 -8.091 12.806 -8.149 1.00 0.00 O ATOM 81 CB SER A 9 -7.995 15.990 -7.909 1.00 0.00 C ATOM 82 OG SER A 9 -8.508 15.385 -6.734 1.00 0.00 O ATOM 0 H SER A 9 -10.127 14.946 -8.800 1.00 0.00 H new ATOM 0 HA SER A 9 -7.480 15.442 -9.922 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.965 16.304 -7.740 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.568 16.888 -8.140 1.00 0.00 H new ATOM 0 HG SER A 9 -8.459 16.021 -5.990 1.00 0.00 H new ATOM 88 N PRO A 10 -6.134 13.527 -9.001 1.00 0.00 N ATOM 89 CA PRO A 10 -5.395 12.299 -8.690 1.00 0.00 C ATOM 90 C PRO A 10 -5.175 12.118 -7.192 1.00 0.00 C ATOM 91 O PRO A 10 -5.346 13.055 -6.412 1.00 0.00 O ATOM 92 CB PRO A 10 -4.057 12.500 -9.406 1.00 0.00 C ATOM 93 CG PRO A 10 -3.898 13.978 -9.506 1.00 0.00 C ATOM 94 CD PRO A 10 -5.287 14.534 -9.662 1.00 0.00 C ATOM 0 HA PRO A 10 -5.935 11.407 -9.008 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.237 12.051 -8.846 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.062 12.035 -10.392 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -3.415 14.380 -8.615 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.272 14.247 -10.357 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.384 15.512 -9.191 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.555 14.658 -10.711 1.00 0.00 H new ATOM 102 N VAL A 11 -4.796 10.907 -6.797 1.00 0.00 N ATOM 103 CA VAL A 11 -4.551 10.603 -5.392 1.00 0.00 C ATOM 104 C VAL A 11 -3.085 10.266 -5.150 1.00 0.00 C ATOM 105 O VAL A 11 -2.541 9.342 -5.756 1.00 0.00 O ATOM 106 CB VAL A 11 -5.423 9.428 -4.912 1.00 0.00 C ATOM 107 CG1 VAL A 11 -6.893 9.819 -4.911 1.00 0.00 C ATOM 108 CG2 VAL A 11 -5.189 8.202 -5.781 1.00 0.00 C ATOM 0 H VAL A 11 -4.652 10.120 -7.430 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.813 11.496 -4.825 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.138 9.180 -3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.493 8.976 -4.569 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.044 10.667 -4.243 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.197 10.095 -5.921 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.813 7.381 -5.428 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.446 8.434 -6.815 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.140 7.911 -5.724 1.00 0.00 H new ATOM 118 N ARG A 12 -2.449 11.020 -4.259 1.00 0.00 N ATOM 119 CA ARG A 12 -1.044 10.801 -3.937 1.00 0.00 C ATOM 120 C ARG A 12 -0.758 9.317 -3.732 1.00 0.00 C ATOM 121 O ARG A 12 -1.466 8.636 -2.991 1.00 0.00 O ATOM 122 CB ARG A 12 -0.659 11.585 -2.681 1.00 0.00 C ATOM 123 CG ARG A 12 0.804 11.997 -2.645 1.00 0.00 C ATOM 124 CD ARG A 12 1.311 12.129 -1.217 1.00 0.00 C ATOM 125 NE ARG A 12 0.963 13.420 -0.630 1.00 0.00 N ATOM 126 CZ ARG A 12 1.504 13.887 0.490 1.00 0.00 C ATOM 127 NH1 ARG A 12 2.412 13.172 1.140 1.00 0.00 N ATOM 128 NH2 ARG A 12 1.136 15.071 0.962 1.00 0.00 N ATOM 0 H ARG A 12 -2.884 11.788 -3.748 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.445 11.155 -4.776 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.281 12.478 -2.615 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.879 10.978 -1.803 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.404 11.260 -3.178 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.929 12.946 -3.166 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.891 11.329 -0.608 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.394 12.005 -1.204 1.00 0.00 H new ATOM 0 HE ARG A 12 0.267 13.994 -1.106 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.697 12.261 0.780 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.826 13.533 2.000 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.437 15.623 0.465 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.552 15.429 1.822 1.00 0.00 H new ATOM 142 N GLU A 13 0.284 8.823 -4.393 1.00 0.00 N ATOM 143 CA GLU A 13 0.662 7.419 -4.284 1.00 0.00 C ATOM 144 C GLU A 13 1.479 7.172 -3.018 1.00 0.00 C ATOM 145 O GLU A 13 2.349 7.968 -2.664 1.00 0.00 O ATOM 146 CB GLU A 13 1.463 6.985 -5.513 1.00 0.00 C ATOM 147 CG GLU A 13 2.464 8.026 -5.986 1.00 0.00 C ATOM 148 CD GLU A 13 1.869 8.992 -6.993 1.00 0.00 C ATOM 149 OE1 GLU A 13 1.345 8.525 -8.025 1.00 0.00 O ATOM 150 OE2 GLU A 13 1.930 10.215 -6.747 1.00 0.00 O ATOM 0 H GLU A 13 0.881 9.374 -5.009 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.252 6.827 -4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.994 6.061 -5.283 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.772 6.762 -6.326 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.835 8.585 -5.127 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.322 7.523 -6.433 1.00 0.00 H new ATOM 157 N ARG A 14 1.191 6.065 -2.341 1.00 0.00 N ATOM 158 CA ARG A 14 1.897 5.715 -1.115 1.00 0.00 C ATOM 159 C ARG A 14 1.999 4.200 -0.961 1.00 0.00 C ATOM 160 O ARG A 14 1.111 3.461 -1.386 1.00 0.00 O ATOM 161 CB ARG A 14 1.183 6.314 0.099 1.00 0.00 C ATOM 162 CG ARG A 14 2.105 6.578 1.278 1.00 0.00 C ATOM 163 CD ARG A 14 1.319 6.924 2.533 1.00 0.00 C ATOM 164 NE ARG A 14 1.042 8.355 2.628 1.00 0.00 N ATOM 165 CZ ARG A 14 0.033 8.951 2.002 1.00 0.00 C ATOM 166 NH1 ARG A 14 -0.789 8.244 1.240 1.00 0.00 N ATOM 167 NH2 ARG A 14 -0.154 10.258 2.138 1.00 0.00 N ATOM 0 H ARG A 14 0.474 5.396 -2.621 1.00 0.00 H new ATOM 0 HA ARG A 14 2.905 6.127 -1.175 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.706 7.249 -0.195 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.389 5.637 0.414 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.721 5.698 1.464 1.00 0.00 H new ATOM 0 HG3 ARG A 14 2.783 7.396 1.035 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.379 6.372 2.536 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.879 6.604 3.411 1.00 0.00 H new ATOM 0 HE ARG A 14 1.657 8.928 3.206 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.648 7.239 1.133 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.563 8.704 0.761 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.477 10.805 2.723 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.929 10.715 1.657 1.00 0.00 H new ATOM 181 N ARG A 15 3.089 3.745 -0.352 1.00 0.00 N ATOM 182 CA ARG A 15 3.309 2.319 -0.144 1.00 0.00 C ATOM 183 C ARG A 15 3.826 2.048 1.266 1.00 0.00 C ATOM 184 O ARG A 15 4.746 2.717 1.741 1.00 0.00 O ATOM 185 CB ARG A 15 4.301 1.778 -1.175 1.00 0.00 C ATOM 186 CG ARG A 15 3.641 1.264 -2.444 1.00 0.00 C ATOM 187 CD ARG A 15 4.548 1.437 -3.653 1.00 0.00 C ATOM 188 NE ARG A 15 4.921 2.834 -3.861 1.00 0.00 N ATOM 189 CZ ARG A 15 4.156 3.712 -4.499 1.00 0.00 C ATOM 190 NH1 ARG A 15 2.980 3.340 -4.988 1.00 0.00 N ATOM 191 NH2 ARG A 15 4.565 4.965 -4.649 1.00 0.00 N ATOM 0 H ARG A 15 3.834 4.343 0.006 1.00 0.00 H new ATOM 0 HA ARG A 15 2.354 1.809 -0.266 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.007 2.567 -1.436 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.878 0.971 -0.723 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.390 0.210 -2.324 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.705 1.797 -2.610 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.448 0.837 -3.520 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.043 1.060 -4.542 1.00 0.00 H new ATOM 0 HE ARG A 15 5.819 3.153 -3.496 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.662 2.378 -4.874 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.394 4.016 -5.478 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.468 5.255 -4.274 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.976 5.638 -5.139 1.00 0.00 H new ATOM 205 N LEU A 16 3.230 1.065 1.931 1.00 0.00 N ATOM 206 CA LEU A 16 3.630 0.706 3.287 1.00 0.00 C ATOM 207 C LEU A 16 4.498 -0.548 3.285 1.00 0.00 C ATOM 208 O LEU A 16 4.218 -1.506 2.565 1.00 0.00 O ATOM 209 CB LEU A 16 2.395 0.484 4.162 1.00 0.00 C ATOM 210 CG LEU A 16 2.564 -0.493 5.326 1.00 0.00 C ATOM 211 CD1 LEU A 16 1.674 -0.093 6.493 1.00 0.00 C ATOM 212 CD2 LEU A 16 2.253 -1.914 4.879 1.00 0.00 C ATOM 0 H LEU A 16 2.468 0.502 1.553 1.00 0.00 H new ATOM 0 HA LEU A 16 4.215 1.529 3.697 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.082 1.447 4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.585 0.125 3.527 1.00 0.00 H new ATOM 0 HG LEU A 16 3.602 -0.456 5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.808 -0.800 7.312 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.944 0.908 6.830 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.632 -0.100 6.175 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.378 -2.596 5.720 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.225 -1.966 4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.932 -2.200 4.076 1.00 0.00 H new ATOM 224 N GLU A 17 5.550 -0.535 4.098 1.00 0.00 N ATOM 225 CA GLU A 17 6.457 -1.673 4.190 1.00 0.00 C ATOM 226 C GLU A 17 5.941 -2.701 5.193 1.00 0.00 C ATOM 227 O GLU A 17 5.748 -2.393 6.370 1.00 0.00 O ATOM 228 CB GLU A 17 7.857 -1.207 4.595 1.00 0.00 C ATOM 229 CG GLU A 17 8.960 -2.169 4.189 1.00 0.00 C ATOM 230 CD GLU A 17 10.344 -1.640 4.513 1.00 0.00 C ATOM 231 OE1 GLU A 17 10.614 -1.372 5.702 1.00 0.00 O ATOM 232 OE2 GLU A 17 11.157 -1.495 3.576 1.00 0.00 O ATOM 0 H GLU A 17 5.795 0.250 4.702 1.00 0.00 H new ATOM 0 HA GLU A 17 6.509 -2.143 3.208 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.051 -0.234 4.144 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.886 -1.069 5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.811 -3.122 4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.891 -2.364 3.119 1.00 0.00 H new ATOM 239 N HIS A 18 5.719 -3.923 4.720 1.00 0.00 N ATOM 240 CA HIS A 18 5.226 -4.996 5.575 1.00 0.00 C ATOM 241 C HIS A 18 6.168 -6.196 5.540 1.00 0.00 C ATOM 242 O HIS A 18 6.477 -6.722 4.471 1.00 0.00 O ATOM 243 CB HIS A 18 3.824 -5.421 5.138 1.00 0.00 C ATOM 244 CG HIS A 18 3.263 -6.553 5.943 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.405 -6.367 7.007 1.00 0.00 N ATOM 246 CD2 HIS A 18 3.440 -7.890 5.834 1.00 0.00 C ATOM 247 CE1 HIS A 18 2.081 -7.541 7.518 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.695 -8.482 6.824 1.00 0.00 N ATOM 0 H HIS A 18 5.873 -4.195 3.749 1.00 0.00 H new ATOM 0 HA HIS A 18 5.182 -4.621 6.598 1.00 0.00 H new ATOM 0 HB2 HIS A 18 3.154 -4.565 5.214 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.852 -5.712 4.088 1.00 0.00 H new ATOM 0 HD1 HIS A 18 2.073 -5.464 7.346 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.053 -8.397 5.104 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.425 -7.704 8.360 1.00 0.00 H new ATOM 257 N GLN A 19 6.621 -6.621 6.714 1.00 0.00 N ATOM 258 CA GLN A 19 7.529 -7.758 6.816 1.00 0.00 C ATOM 259 C GLN A 19 6.808 -9.061 6.490 1.00 0.00 C ATOM 260 O GLN A 19 6.437 -9.819 7.388 1.00 0.00 O ATOM 261 CB GLN A 19 8.132 -7.831 8.220 1.00 0.00 C ATOM 262 CG GLN A 19 9.331 -8.760 8.320 1.00 0.00 C ATOM 263 CD GLN A 19 10.220 -8.441 9.506 1.00 0.00 C ATOM 264 OE1 GLN A 19 9.912 -8.801 10.642 1.00 0.00 O ATOM 265 NE2 GLN A 19 11.331 -7.761 9.247 1.00 0.00 N ATOM 0 H GLN A 19 6.375 -6.196 7.608 1.00 0.00 H new ATOM 0 HA GLN A 19 8.331 -7.617 6.091 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.432 -6.830 8.530 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.365 -8.165 8.919 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.982 -9.790 8.399 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.916 -8.691 7.403 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.547 -7.483 8.290 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.968 -7.517 10.005 1.00 0.00 H new ATOM 274 N LEU A 20 6.613 -9.317 5.202 1.00 0.00 N ATOM 275 CA LEU A 20 5.936 -10.530 4.756 1.00 0.00 C ATOM 276 C LEU A 20 6.396 -11.739 5.565 1.00 0.00 C ATOM 277 O LEU A 20 7.581 -11.883 5.862 1.00 0.00 O ATOM 278 CB LEU A 20 6.198 -10.767 3.268 1.00 0.00 C ATOM 279 CG LEU A 20 5.091 -11.487 2.498 1.00 0.00 C ATOM 280 CD1 LEU A 20 3.902 -10.562 2.283 1.00 0.00 C ATOM 281 CD2 LEU A 20 5.616 -12.001 1.165 1.00 0.00 C ATOM 0 H LEU A 20 6.914 -8.701 4.447 1.00 0.00 H new ATOM 0 HA LEU A 20 4.865 -10.397 4.913 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.375 -9.802 2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.117 -11.345 3.169 1.00 0.00 H new ATOM 0 HG LEU A 20 4.760 -12.341 3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.124 -11.091 1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.511 -10.242 3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.219 -9.689 1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.814 -12.511 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.975 -11.163 0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.435 -12.698 1.341 1.00 0.00 H new ATOM 293 N GLU A 21 5.451 -12.605 5.915 1.00 0.00 N ATOM 294 CA GLU A 21 5.761 -13.803 6.687 1.00 0.00 C ATOM 295 C GLU A 21 5.371 -15.062 5.919 1.00 0.00 C ATOM 296 O GLU A 21 4.579 -15.025 4.977 1.00 0.00 O ATOM 297 CB GLU A 21 5.036 -13.769 8.035 1.00 0.00 C ATOM 298 CG GLU A 21 5.840 -13.108 9.142 1.00 0.00 C ATOM 299 CD GLU A 21 5.456 -13.610 10.520 1.00 0.00 C ATOM 300 OE1 GLU A 21 4.267 -13.492 10.884 1.00 0.00 O ATOM 301 OE2 GLU A 21 6.344 -14.120 11.235 1.00 0.00 O ATOM 0 H GLU A 21 4.465 -12.500 5.677 1.00 0.00 H new ATOM 0 HA GLU A 21 6.837 -13.824 6.861 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.091 -13.238 7.917 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.793 -14.789 8.333 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.901 -13.292 8.975 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.693 -12.029 9.098 1.00 0.00 H new ATOM 308 N PRO A 22 5.941 -16.205 6.330 1.00 0.00 N ATOM 309 CA PRO A 22 5.668 -17.498 5.694 1.00 0.00 C ATOM 310 C PRO A 22 4.252 -17.991 5.967 1.00 0.00 C ATOM 311 O PRO A 22 3.862 -19.068 5.519 1.00 0.00 O ATOM 312 CB PRO A 22 6.694 -18.433 6.340 1.00 0.00 C ATOM 313 CG PRO A 22 7.000 -17.808 7.657 1.00 0.00 C ATOM 314 CD PRO A 22 6.893 -16.323 7.446 1.00 0.00 C ATOM 0 HA PRO A 22 5.744 -17.443 4.608 1.00 0.00 H new ATOM 0 HB2 PRO A 22 6.291 -19.438 6.463 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.590 -18.522 5.726 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.299 -18.145 8.421 1.00 0.00 H new ATOM 0 HG3 PRO A 22 7.999 -18.083 7.997 1.00 0.00 H new ATOM 0 HD2 PRO A 22 6.530 -15.815 8.340 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.859 -15.882 7.199 1.00 0.00 H new ATOM 322 N GLY A 23 3.484 -17.195 6.706 1.00 0.00 N ATOM 323 CA GLY A 23 2.119 -17.568 7.025 1.00 0.00 C ATOM 324 C GLY A 23 1.115 -16.514 6.601 1.00 0.00 C ATOM 325 O GLY A 23 0.142 -16.253 7.309 1.00 0.00 O ATOM 0 H GLY A 23 3.784 -16.298 7.089 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.879 -18.511 6.535 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.033 -17.736 8.099 1.00 0.00 H new ATOM 329 N ASP A 24 1.353 -15.904 5.445 1.00 0.00 N ATOM 330 CA ASP A 24 0.463 -14.872 4.928 1.00 0.00 C ATOM 331 C ASP A 24 -0.133 -15.289 3.587 1.00 0.00 C ATOM 332 O ASP A 24 0.400 -16.165 2.904 1.00 0.00 O ATOM 333 CB ASP A 24 1.215 -13.549 4.776 1.00 0.00 C ATOM 334 CG ASP A 24 2.019 -13.195 6.012 1.00 0.00 C ATOM 335 OD1 ASP A 24 2.529 -14.124 6.674 1.00 0.00 O ATOM 336 OD2 ASP A 24 2.140 -11.990 6.316 1.00 0.00 O ATOM 0 H ASP A 24 2.155 -16.107 4.848 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.351 -14.739 5.641 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.883 -13.611 3.917 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.502 -12.751 4.569 1.00 0.00 H new ATOM 341 N THR A 25 -1.241 -14.657 3.214 1.00 0.00 N ATOM 342 CA THR A 25 -1.910 -14.964 1.956 1.00 0.00 C ATOM 343 C THR A 25 -2.403 -13.694 1.271 1.00 0.00 C ATOM 344 O THR A 25 -2.904 -12.778 1.925 1.00 0.00 O ATOM 345 CB THR A 25 -3.104 -15.913 2.172 1.00 0.00 C ATOM 346 OG1 THR A 25 -3.885 -15.473 3.289 1.00 0.00 O ATOM 347 CG2 THR A 25 -2.626 -17.337 2.412 1.00 0.00 C ATOM 0 H THR A 25 -1.694 -13.929 3.766 1.00 0.00 H new ATOM 0 HA THR A 25 -1.175 -15.455 1.319 1.00 0.00 H new ATOM 0 HB THR A 25 -3.718 -15.898 1.272 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.643 -16.081 3.418 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.486 -17.989 2.562 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.057 -17.680 1.548 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.992 -17.363 3.298 1.00 0.00 H new ATOM 355 N LEU A 26 -2.259 -13.646 -0.048 1.00 0.00 N ATOM 356 CA LEU A 26 -2.690 -12.487 -0.823 1.00 0.00 C ATOM 357 C LEU A 26 -4.069 -12.015 -0.374 1.00 0.00 C ATOM 358 O LEU A 26 -4.229 -10.887 0.093 1.00 0.00 O ATOM 359 CB LEU A 26 -2.716 -12.827 -2.314 1.00 0.00 C ATOM 360 CG LEU A 26 -1.367 -12.791 -3.034 1.00 0.00 C ATOM 361 CD1 LEU A 26 -1.422 -13.612 -4.312 1.00 0.00 C ATOM 362 CD2 LEU A 26 -0.962 -11.355 -3.337 1.00 0.00 C ATOM 0 H LEU A 26 -1.847 -14.396 -0.604 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.976 -11.681 -0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.142 -13.824 -2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.390 -12.131 -2.813 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.615 -13.229 -2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.453 -13.575 -4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.666 -14.646 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.186 -13.205 -4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.000 -11.349 -3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.715 -10.891 -3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.880 -10.796 -2.405 1.00 0.00 H new ATOM 374 N ALA A 27 -5.063 -12.886 -0.516 1.00 0.00 N ATOM 375 CA ALA A 27 -6.428 -12.560 -0.121 1.00 0.00 C ATOM 376 C ALA A 27 -6.474 -12.031 1.309 1.00 0.00 C ATOM 377 O ALA A 27 -7.320 -11.205 1.649 1.00 0.00 O ATOM 378 CB ALA A 27 -7.324 -13.780 -0.263 1.00 0.00 C ATOM 0 H ALA A 27 -4.948 -13.823 -0.902 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.794 -11.775 -0.783 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.340 -13.522 0.035 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.324 -14.113 -1.301 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.951 -14.581 0.375 1.00 0.00 H new ATOM 384 N GLY A 28 -5.558 -12.513 2.143 1.00 0.00 N ATOM 385 CA GLY A 28 -5.512 -12.078 3.527 1.00 0.00 C ATOM 386 C GLY A 28 -5.061 -10.637 3.667 1.00 0.00 C ATOM 387 O GLY A 28 -5.784 -9.803 4.214 1.00 0.00 O ATOM 0 H GLY A 28 -4.847 -13.197 1.885 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.500 -12.191 3.973 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.834 -12.724 4.085 1.00 0.00 H new ATOM 391 N LEU A 29 -3.863 -10.344 3.175 1.00 0.00 N ATOM 392 CA LEU A 29 -3.314 -8.994 3.249 1.00 0.00 C ATOM 393 C LEU A 29 -4.246 -7.990 2.578 1.00 0.00 C ATOM 394 O LEU A 29 -4.546 -6.936 3.138 1.00 0.00 O ATOM 395 CB LEU A 29 -1.935 -8.946 2.591 1.00 0.00 C ATOM 396 CG LEU A 29 -0.928 -9.996 3.064 1.00 0.00 C ATOM 397 CD1 LEU A 29 0.243 -10.085 2.098 1.00 0.00 C ATOM 398 CD2 LEU A 29 -0.440 -9.672 4.468 1.00 0.00 C ATOM 0 H LEU A 29 -3.252 -11.023 2.720 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.217 -8.725 4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.064 -9.055 1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.507 -7.958 2.762 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.427 -10.965 3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.949 -10.837 2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.121 -10.365 1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.742 -9.117 2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.276 -10.429 4.788 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.042 -8.694 4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.287 -9.660 5.154 1.00 0.00 H new ATOM 410 N ALA A 30 -4.702 -8.326 1.376 1.00 0.00 N ATOM 411 CA ALA A 30 -5.603 -7.456 0.630 1.00 0.00 C ATOM 412 C ALA A 30 -6.649 -6.833 1.548 1.00 0.00 C ATOM 413 O ALA A 30 -6.761 -5.609 1.638 1.00 0.00 O ATOM 414 CB ALA A 30 -6.278 -8.232 -0.491 1.00 0.00 C ATOM 0 H ALA A 30 -4.462 -9.195 0.898 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.012 -6.650 0.195 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.948 -7.570 -1.040 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.520 -8.625 -1.169 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.850 -9.058 -0.069 1.00 0.00 H new ATOM 420 N LEU A 31 -7.414 -7.680 2.228 1.00 0.00 N ATOM 421 CA LEU A 31 -8.452 -7.212 3.139 1.00 0.00 C ATOM 422 C LEU A 31 -7.841 -6.666 4.426 1.00 0.00 C ATOM 423 O LEU A 31 -8.238 -5.609 4.916 1.00 0.00 O ATOM 424 CB LEU A 31 -9.423 -8.348 3.464 1.00 0.00 C ATOM 425 CG LEU A 31 -9.999 -9.101 2.265 1.00 0.00 C ATOM 426 CD1 LEU A 31 -10.313 -10.542 2.640 1.00 0.00 C ATOM 427 CD2 LEU A 31 -11.245 -8.401 1.743 1.00 0.00 C ATOM 0 H LEU A 31 -7.335 -8.695 2.165 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.997 -6.406 2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.911 -9.065 4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.251 -7.937 4.042 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.251 -9.108 1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.722 -11.062 1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.400 -11.041 2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.042 -10.557 3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.641 -8.951 0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.997 -8.362 2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.990 -7.387 1.434 1.00 0.00 H new ATOM 439 N LYS A 32 -6.870 -7.394 4.969 1.00 0.00 N ATOM 440 CA LYS A 32 -6.201 -6.982 6.197 1.00 0.00 C ATOM 441 C LYS A 32 -6.052 -5.465 6.254 1.00 0.00 C ATOM 442 O LYS A 32 -6.141 -4.863 7.324 1.00 0.00 O ATOM 443 CB LYS A 32 -4.824 -7.644 6.298 1.00 0.00 C ATOM 444 CG LYS A 32 -4.242 -7.625 7.701 1.00 0.00 C ATOM 445 CD LYS A 32 -2.762 -7.971 7.694 1.00 0.00 C ATOM 446 CE LYS A 32 -2.535 -9.444 7.392 1.00 0.00 C ATOM 447 NZ LYS A 32 -2.957 -10.314 8.525 1.00 0.00 N ATOM 0 H LYS A 32 -6.529 -8.272 4.577 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.815 -7.301 7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.901 -8.677 5.960 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.136 -7.137 5.621 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.384 -6.638 8.142 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.780 -8.335 8.329 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.249 -7.363 6.949 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.325 -7.726 8.662 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.090 -9.721 6.495 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.480 -9.612 7.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.605 -11.280 8.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.566 -9.941 9.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.995 -10.329 8.583 1.00 0.00 H new ATOM 461 N TYR A 33 -5.827 -4.854 5.097 1.00 0.00 N ATOM 462 CA TYR A 33 -5.666 -3.407 5.015 1.00 0.00 C ATOM 463 C TYR A 33 -6.933 -2.747 4.479 1.00 0.00 C ATOM 464 O TYR A 33 -7.620 -2.022 5.197 1.00 0.00 O ATOM 465 CB TYR A 33 -4.476 -3.055 4.121 1.00 0.00 C ATOM 466 CG TYR A 33 -3.137 -3.404 4.730 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.582 -4.666 4.559 1.00 0.00 C ATOM 468 CD2 TYR A 33 -2.426 -2.471 5.475 1.00 0.00 C ATOM 469 CE1 TYR A 33 -1.359 -4.989 5.114 1.00 0.00 C ATOM 470 CE2 TYR A 33 -1.202 -2.785 6.032 1.00 0.00 C ATOM 471 CZ TYR A 33 -0.673 -4.045 5.850 1.00 0.00 C ATOM 472 OH TYR A 33 0.547 -4.363 6.403 1.00 0.00 O ATOM 0 H TYR A 33 -5.752 -5.338 4.202 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.480 -3.030 6.021 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.580 -3.577 3.170 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.499 -1.987 3.903 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.116 -5.407 3.982 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.838 -1.483 5.621 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.942 -5.975 4.973 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.662 -2.047 6.607 1.00 0.00 H new ATOM 0 HH TYR A 33 0.838 -5.238 6.072 1.00 0.00 H new ATOM 482 N GLY A 34 -7.235 -3.004 3.210 1.00 0.00 N ATOM 483 CA GLY A 34 -8.418 -2.428 2.598 1.00 0.00 C ATOM 484 C GLY A 34 -8.290 -2.306 1.092 1.00 0.00 C ATOM 485 O GLY A 34 -8.813 -1.367 0.492 1.00 0.00 O ATOM 0 H GLY A 34 -6.682 -3.601 2.595 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.284 -3.045 2.837 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.601 -1.442 3.025 1.00 0.00 H new ATOM 489 N VAL A 35 -7.591 -3.257 0.480 1.00 0.00 N ATOM 490 CA VAL A 35 -7.396 -3.251 -0.965 1.00 0.00 C ATOM 491 C VAL A 35 -7.605 -4.642 -1.553 1.00 0.00 C ATOM 492 O VAL A 35 -7.867 -5.603 -0.828 1.00 0.00 O ATOM 493 CB VAL A 35 -5.986 -2.754 -1.339 1.00 0.00 C ATOM 494 CG1 VAL A 35 -5.721 -1.388 -0.725 1.00 0.00 C ATOM 495 CG2 VAL A 35 -4.933 -3.760 -0.898 1.00 0.00 C ATOM 0 H VAL A 35 -7.151 -4.041 0.962 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.136 -2.568 -1.382 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.930 -2.655 -2.423 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.721 -1.053 -1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.457 -0.674 -1.095 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.795 -1.456 0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.943 -3.393 -1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.987 -3.893 0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.114 -4.715 -1.390 1.00 0.00 H new ATOM 505 N THR A 36 -7.487 -4.744 -2.873 1.00 0.00 N ATOM 506 CA THR A 36 -7.664 -6.018 -3.560 1.00 0.00 C ATOM 507 C THR A 36 -6.321 -6.621 -3.955 1.00 0.00 C ATOM 508 O THR A 36 -5.381 -5.900 -4.290 1.00 0.00 O ATOM 509 CB THR A 36 -8.533 -5.859 -4.822 1.00 0.00 C ATOM 510 OG1 THR A 36 -8.709 -7.130 -5.458 1.00 0.00 O ATOM 511 CG2 THR A 36 -7.897 -4.882 -5.798 1.00 0.00 C ATOM 0 H THR A 36 -7.270 -3.960 -3.488 1.00 0.00 H new ATOM 0 HA THR A 36 -8.168 -6.686 -2.862 1.00 0.00 H new ATOM 0 HB THR A 36 -9.504 -5.466 -4.521 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.264 -7.021 -6.258 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.529 -4.786 -6.681 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.791 -3.908 -5.321 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.914 -5.250 -6.093 1.00 0.00 H new ATOM 519 N MET A 37 -6.237 -7.946 -3.913 1.00 0.00 N ATOM 520 CA MET A 37 -5.008 -8.646 -4.269 1.00 0.00 C ATOM 521 C MET A 37 -4.455 -8.134 -5.595 1.00 0.00 C ATOM 522 O MET A 37 -3.253 -7.913 -5.732 1.00 0.00 O ATOM 523 CB MET A 37 -5.260 -10.152 -4.355 1.00 0.00 C ATOM 524 CG MET A 37 -5.835 -10.746 -3.080 1.00 0.00 C ATOM 525 SD MET A 37 -6.707 -12.298 -3.368 1.00 0.00 S ATOM 526 CE MET A 37 -5.428 -13.262 -4.169 1.00 0.00 C ATOM 0 H MET A 37 -7.005 -8.557 -3.636 1.00 0.00 H new ATOM 0 HA MET A 37 -4.271 -8.453 -3.490 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.945 -10.351 -5.180 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.323 -10.656 -4.590 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.029 -10.914 -2.366 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.518 -10.029 -2.626 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.808 -13.659 -5.110 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.564 -12.628 -4.365 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.133 -14.086 -3.520 1.00 0.00 H new ATOM 536 N GLU A 38 -5.342 -7.949 -6.568 1.00 0.00 N ATOM 537 CA GLU A 38 -4.941 -7.464 -7.884 1.00 0.00 C ATOM 538 C GLU A 38 -4.139 -6.171 -7.766 1.00 0.00 C ATOM 539 O GLU A 38 -3.076 -6.031 -8.370 1.00 0.00 O ATOM 540 CB GLU A 38 -6.171 -7.236 -8.765 1.00 0.00 C ATOM 541 CG GLU A 38 -5.878 -7.322 -10.253 1.00 0.00 C ATOM 542 CD GLU A 38 -5.643 -8.746 -10.719 1.00 0.00 C ATOM 543 OE1 GLU A 38 -6.387 -9.646 -10.278 1.00 0.00 O ATOM 544 OE2 GLU A 38 -4.714 -8.959 -11.526 1.00 0.00 O ATOM 0 H GLU A 38 -6.342 -8.127 -6.470 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.309 -8.223 -8.345 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.932 -7.974 -8.510 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.590 -6.255 -8.542 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.712 -6.894 -10.809 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.000 -6.719 -10.482 1.00 0.00 H new ATOM 551 N GLN A 39 -4.658 -5.229 -6.985 1.00 0.00 N ATOM 552 CA GLN A 39 -3.991 -3.947 -6.789 1.00 0.00 C ATOM 553 C GLN A 39 -2.578 -4.145 -6.250 1.00 0.00 C ATOM 554 O GLN A 39 -1.600 -3.744 -6.882 1.00 0.00 O ATOM 555 CB GLN A 39 -4.797 -3.070 -5.829 1.00 0.00 C ATOM 556 CG GLN A 39 -6.006 -2.413 -6.476 1.00 0.00 C ATOM 557 CD GLN A 39 -6.842 -1.626 -5.486 1.00 0.00 C ATOM 558 OE1 GLN A 39 -6.375 -1.277 -4.401 1.00 0.00 O ATOM 559 NE2 GLN A 39 -8.086 -1.342 -5.854 1.00 0.00 N ATOM 0 H GLN A 39 -5.537 -5.329 -6.478 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.925 -3.449 -7.756 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.131 -3.678 -4.988 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.146 -2.295 -5.424 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.671 -1.748 -7.272 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.626 -3.180 -6.941 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.432 -1.651 -6.762 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.695 -0.815 -5.228 1.00 0.00 H new ATOM 568 N ILE A 40 -2.478 -4.765 -5.078 1.00 0.00 N ATOM 569 CA ILE A 40 -1.185 -5.016 -4.455 1.00 0.00 C ATOM 570 C ILE A 40 -0.228 -5.695 -5.429 1.00 0.00 C ATOM 571 O ILE A 40 0.934 -5.306 -5.548 1.00 0.00 O ATOM 572 CB ILE A 40 -1.327 -5.893 -3.197 1.00 0.00 C ATOM 573 CG1 ILE A 40 -2.117 -5.151 -2.118 1.00 0.00 C ATOM 574 CG2 ILE A 40 0.044 -6.296 -2.675 1.00 0.00 C ATOM 575 CD1 ILE A 40 -2.347 -5.969 -0.866 1.00 0.00 C ATOM 0 H ILE A 40 -3.277 -5.102 -4.542 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.780 -4.046 -4.168 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.873 -6.798 -3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.584 -4.238 -1.853 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.081 -4.850 -2.528 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.073 -6.915 -1.786 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.574 -6.860 -3.443 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.614 -5.402 -2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.913 -5.379 -0.145 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.907 -6.870 -1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.387 -6.248 -0.432 1.00 0.00 H new ATOM 587 N LYS A 41 -0.725 -6.711 -6.127 1.00 0.00 N ATOM 588 CA LYS A 41 0.084 -7.443 -7.094 1.00 0.00 C ATOM 589 C LYS A 41 0.496 -6.541 -8.253 1.00 0.00 C ATOM 590 O LYS A 41 1.670 -6.204 -8.402 1.00 0.00 O ATOM 591 CB LYS A 41 -0.690 -8.652 -7.625 1.00 0.00 C ATOM 592 CG LYS A 41 -1.042 -9.668 -6.552 1.00 0.00 C ATOM 593 CD LYS A 41 -2.247 -10.504 -6.950 1.00 0.00 C ATOM 594 CE LYS A 41 -1.864 -11.605 -7.927 1.00 0.00 C ATOM 595 NZ LYS A 41 -1.965 -11.151 -9.342 1.00 0.00 N ATOM 0 H LYS A 41 -1.685 -7.046 -6.041 1.00 0.00 H new ATOM 0 HA LYS A 41 0.985 -7.789 -6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.608 -8.305 -8.100 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.097 -9.142 -8.397 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.188 -10.321 -6.374 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.250 -9.152 -5.615 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.695 -10.946 -6.060 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.003 -9.862 -7.402 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.845 -11.933 -7.723 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.513 -12.467 -7.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.084 -11.976 -9.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.784 -10.518 -9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.098 -10.641 -9.606 1.00 0.00 H new ATOM 609 N ARG A 42 -0.478 -6.152 -9.070 1.00 0.00 N ATOM 610 CA ARG A 42 -0.216 -5.289 -10.215 1.00 0.00 C ATOM 611 C ARG A 42 0.615 -4.077 -9.803 1.00 0.00 C ATOM 612 O ARG A 42 1.404 -3.557 -10.591 1.00 0.00 O ATOM 613 CB ARG A 42 -1.532 -4.828 -10.845 1.00 0.00 C ATOM 614 CG ARG A 42 -2.069 -5.782 -11.900 1.00 0.00 C ATOM 615 CD ARG A 42 -3.404 -5.307 -12.452 1.00 0.00 C ATOM 616 NE ARG A 42 -3.318 -3.961 -13.012 1.00 0.00 N ATOM 617 CZ ARG A 42 -4.352 -3.318 -13.543 1.00 0.00 C ATOM 618 NH1 ARG A 42 -5.545 -3.895 -13.585 1.00 0.00 N ATOM 619 NH2 ARG A 42 -4.194 -2.095 -14.033 1.00 0.00 N ATOM 0 H ARG A 42 -1.456 -6.421 -8.960 1.00 0.00 H new ATOM 0 HA ARG A 42 0.349 -5.863 -10.949 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.279 -4.710 -10.060 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.385 -3.846 -11.296 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.348 -5.870 -12.713 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.185 -6.776 -11.468 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.744 -5.999 -13.222 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.150 -5.322 -11.658 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.414 -3.489 -12.994 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.670 -4.835 -13.209 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.337 -3.399 -13.993 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.278 -1.648 -14.002 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.989 -1.602 -14.441 1.00 0.00 H new ATOM 633 N ALA A 43 0.431 -3.633 -8.565 1.00 0.00 N ATOM 634 CA ALA A 43 1.164 -2.484 -8.048 1.00 0.00 C ATOM 635 C ALA A 43 2.653 -2.790 -7.932 1.00 0.00 C ATOM 636 O ALA A 43 3.493 -1.908 -8.104 1.00 0.00 O ATOM 637 CB ALA A 43 0.603 -2.064 -6.697 1.00 0.00 C ATOM 0 H ALA A 43 -0.220 -4.052 -7.901 1.00 0.00 H new ATOM 0 HA ALA A 43 1.042 -1.660 -8.752 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.160 -1.205 -6.323 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.448 -1.795 -6.807 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.694 -2.890 -5.992 1.00 0.00 H new ATOM 643 N ASN A 44 2.974 -4.047 -7.640 1.00 0.00 N ATOM 644 CA ASN A 44 4.363 -4.469 -7.500 1.00 0.00 C ATOM 645 C ASN A 44 4.672 -5.639 -8.430 1.00 0.00 C ATOM 646 O ASN A 44 5.634 -6.376 -8.217 1.00 0.00 O ATOM 647 CB ASN A 44 4.654 -4.863 -6.051 1.00 0.00 C ATOM 648 CG ASN A 44 4.210 -3.803 -5.063 1.00 0.00 C ATOM 649 OD1 ASN A 44 4.355 -2.606 -5.312 1.00 0.00 O ATOM 650 ND2 ASN A 44 3.664 -4.239 -3.933 1.00 0.00 N ATOM 0 H ASN A 44 2.291 -4.791 -7.496 1.00 0.00 H new ATOM 0 HA ASN A 44 5.002 -3.630 -7.776 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.148 -5.802 -5.824 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.723 -5.040 -5.933 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.345 -3.572 -3.230 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.563 -5.241 -3.768 1.00 0.00 H new ATOM 657 N ARG A 45 3.850 -5.801 -9.461 1.00 0.00 N ATOM 658 CA ARG A 45 4.035 -6.881 -10.423 1.00 0.00 C ATOM 659 C ARG A 45 4.607 -8.122 -9.744 1.00 0.00 C ATOM 660 O ARG A 45 5.564 -8.725 -10.232 1.00 0.00 O ATOM 661 CB ARG A 45 4.962 -6.432 -11.554 1.00 0.00 C ATOM 662 CG ARG A 45 4.555 -5.111 -12.186 1.00 0.00 C ATOM 663 CD ARG A 45 5.754 -4.383 -12.774 1.00 0.00 C ATOM 664 NE ARG A 45 5.353 -3.249 -13.602 1.00 0.00 N ATOM 665 CZ ARG A 45 4.869 -3.371 -14.833 1.00 0.00 C ATOM 666 NH1 ARG A 45 4.726 -4.573 -15.376 1.00 0.00 N ATOM 667 NH2 ARG A 45 4.526 -2.291 -15.523 1.00 0.00 N ATOM 0 H ARG A 45 3.049 -5.198 -9.652 1.00 0.00 H new ATOM 0 HA ARG A 45 3.060 -7.133 -10.840 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.977 -6.342 -11.167 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.982 -7.203 -12.324 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.818 -5.292 -12.969 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.076 -4.480 -11.437 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.397 -4.033 -11.967 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.343 -5.078 -13.372 1.00 0.00 H new ATOM 0 HE ARG A 45 5.450 -2.311 -13.213 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.988 -5.406 -14.848 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.354 -4.665 -16.321 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.634 -1.365 -15.108 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.155 -2.386 -16.468 1.00 0.00 H new ATOM 681 N LEU A 46 4.017 -8.497 -8.614 1.00 0.00 N ATOM 682 CA LEU A 46 4.468 -9.666 -7.867 1.00 0.00 C ATOM 683 C LEU A 46 4.144 -10.952 -8.620 1.00 0.00 C ATOM 684 O LEU A 46 4.718 -12.007 -8.344 1.00 0.00 O ATOM 685 CB LEU A 46 3.817 -9.694 -6.483 1.00 0.00 C ATOM 686 CG LEU A 46 4.543 -8.919 -5.384 1.00 0.00 C ATOM 687 CD1 LEU A 46 3.695 -8.860 -4.122 1.00 0.00 C ATOM 688 CD2 LEU A 46 5.896 -9.551 -5.090 1.00 0.00 C ATOM 0 H LEU A 46 3.225 -8.009 -8.195 1.00 0.00 H new ATOM 0 HA LEU A 46 5.550 -9.597 -7.752 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.805 -9.298 -6.571 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.726 -10.733 -6.167 1.00 0.00 H new ATOM 0 HG LEU A 46 4.708 -7.900 -5.734 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.228 -8.304 -3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.751 -8.361 -4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.497 -9.872 -3.769 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.399 -8.986 -4.305 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.753 -10.580 -4.761 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.507 -9.540 -5.993 1.00 0.00 H new ATOM 700 N TYR A 47 3.223 -10.858 -9.573 1.00 0.00 N ATOM 701 CA TYR A 47 2.823 -12.014 -10.366 1.00 0.00 C ATOM 702 C TYR A 47 4.038 -12.698 -10.984 1.00 0.00 C ATOM 703 O TYR A 47 4.629 -12.197 -11.941 1.00 0.00 O ATOM 704 CB TYR A 47 1.847 -11.591 -11.466 1.00 0.00 C ATOM 705 CG TYR A 47 2.456 -10.659 -12.489 1.00 0.00 C ATOM 706 CD1 TYR A 47 2.506 -9.288 -12.265 1.00 0.00 C ATOM 707 CD2 TYR A 47 2.979 -11.148 -13.679 1.00 0.00 C ATOM 708 CE1 TYR A 47 3.060 -8.432 -13.197 1.00 0.00 C ATOM 709 CE2 TYR A 47 3.536 -10.299 -14.616 1.00 0.00 C ATOM 710 CZ TYR A 47 3.574 -8.942 -14.371 1.00 0.00 C ATOM 711 OH TYR A 47 4.127 -8.094 -15.302 1.00 0.00 O ATOM 0 H TYR A 47 2.740 -9.993 -9.815 1.00 0.00 H new ATOM 0 HA TYR A 47 2.328 -12.724 -9.703 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.476 -12.482 -11.973 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.986 -11.103 -11.009 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.105 -8.885 -11.347 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.950 -12.210 -13.875 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.091 -7.369 -13.007 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.940 -10.696 -15.536 1.00 0.00 H new ATOM 0 HH TYR A 47 4.443 -8.613 -16.071 1.00 0.00 H new ATOM 721 N THR A 48 4.407 -13.849 -10.430 1.00 0.00 N ATOM 722 CA THR A 48 5.552 -14.603 -10.924 1.00 0.00 C ATOM 723 C THR A 48 5.223 -16.087 -11.043 1.00 0.00 C ATOM 724 O THR A 48 4.276 -16.574 -10.426 1.00 0.00 O ATOM 725 CB THR A 48 6.777 -14.433 -10.006 1.00 0.00 C ATOM 726 OG1 THR A 48 6.445 -14.827 -8.670 1.00 0.00 O ATOM 727 CG2 THR A 48 7.259 -12.990 -10.009 1.00 0.00 C ATOM 0 H THR A 48 3.929 -14.279 -9.638 1.00 0.00 H new ATOM 0 HA THR A 48 5.789 -14.205 -11.911 1.00 0.00 H new ATOM 0 HB THR A 48 7.578 -15.068 -10.384 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.401 -15.805 -8.619 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.125 -12.894 -9.354 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.537 -12.701 -11.023 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.461 -12.339 -9.653 1.00 0.00 H new ATOM 735 N ASN A 49 6.011 -16.801 -11.840 1.00 0.00 N ATOM 736 CA ASN A 49 5.803 -18.231 -12.040 1.00 0.00 C ATOM 737 C ASN A 49 5.648 -18.950 -10.703 1.00 0.00 C ATOM 738 O ASN A 49 4.833 -19.862 -10.568 1.00 0.00 O ATOM 739 CB ASN A 49 6.971 -18.833 -12.823 1.00 0.00 C ATOM 740 CG ASN A 49 7.029 -18.330 -14.252 1.00 0.00 C ATOM 741 OD1 ASN A 49 6.934 -17.128 -14.504 1.00 0.00 O ATOM 742 ND2 ASN A 49 7.186 -19.250 -15.197 1.00 0.00 N ATOM 0 H ASN A 49 6.799 -16.413 -12.358 1.00 0.00 H new ATOM 0 HA ASN A 49 4.885 -18.363 -12.612 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.906 -18.592 -12.318 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.881 -19.919 -12.826 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.232 -18.972 -16.177 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.260 -20.235 -14.943 1.00 0.00 H new ATOM 749 N ASP A 50 6.435 -18.531 -9.718 1.00 0.00 N ATOM 750 CA ASP A 50 6.384 -19.133 -8.391 1.00 0.00 C ATOM 751 C ASP A 50 5.650 -18.225 -7.409 1.00 0.00 C ATOM 752 O ASP A 50 5.566 -17.014 -7.613 1.00 0.00 O ATOM 753 CB ASP A 50 7.799 -19.417 -7.882 1.00 0.00 C ATOM 754 CG ASP A 50 8.599 -20.274 -8.843 1.00 0.00 C ATOM 755 OD1 ASP A 50 7.979 -21.012 -9.637 1.00 0.00 O ATOM 756 OD2 ASP A 50 9.845 -20.205 -8.802 1.00 0.00 O ATOM 0 H ASP A 50 7.115 -17.777 -9.814 1.00 0.00 H new ATOM 0 HA ASP A 50 5.837 -20.073 -8.467 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.320 -18.473 -7.721 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.741 -19.918 -6.916 1.00 0.00 H new ATOM 761 N SER A 51 5.118 -18.819 -6.346 1.00 0.00 N ATOM 762 CA SER A 51 4.386 -18.065 -5.335 1.00 0.00 C ATOM 763 C SER A 51 5.082 -16.740 -5.036 1.00 0.00 C ATOM 764 O SER A 51 6.253 -16.553 -5.368 1.00 0.00 O ATOM 765 CB SER A 51 4.254 -18.886 -4.051 1.00 0.00 C ATOM 766 OG SER A 51 3.260 -19.887 -4.187 1.00 0.00 O ATOM 0 H SER A 51 5.180 -19.820 -6.162 1.00 0.00 H new ATOM 0 HA SER A 51 3.391 -17.853 -5.725 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.211 -19.349 -3.812 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.001 -18.228 -3.219 1.00 0.00 H new ATOM 0 HG SER A 51 3.196 -20.399 -3.354 1.00 0.00 H new ATOM 772 N ILE A 52 4.353 -15.826 -4.406 1.00 0.00 N ATOM 773 CA ILE A 52 4.900 -14.519 -4.060 1.00 0.00 C ATOM 774 C ILE A 52 5.868 -14.622 -2.886 1.00 0.00 C ATOM 775 O ILE A 52 6.741 -13.772 -2.712 1.00 0.00 O ATOM 776 CB ILE A 52 3.785 -13.518 -3.705 1.00 0.00 C ATOM 777 CG1 ILE A 52 2.934 -14.056 -2.553 1.00 0.00 C ATOM 778 CG2 ILE A 52 2.918 -13.237 -4.924 1.00 0.00 C ATOM 779 CD1 ILE A 52 2.266 -12.971 -1.737 1.00 0.00 C ATOM 0 H ILE A 52 3.383 -15.965 -4.125 1.00 0.00 H new ATOM 0 HA ILE A 52 5.435 -14.158 -4.939 1.00 0.00 H new ATOM 0 HB ILE A 52 4.245 -12.583 -3.386 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.169 -14.719 -2.956 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.563 -14.657 -1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.134 -12.528 -4.657 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.533 -12.816 -5.719 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.464 -14.166 -5.270 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.680 -13.425 -0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.026 -12.321 -1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.610 -12.384 -2.380 1.00 0.00 H new ATOM 791 N PHE A 53 5.708 -15.669 -2.084 1.00 0.00 N ATOM 792 CA PHE A 53 6.568 -15.884 -0.926 1.00 0.00 C ATOM 793 C PHE A 53 8.036 -15.692 -1.296 1.00 0.00 C ATOM 794 O PHE A 53 8.880 -15.454 -0.432 1.00 0.00 O ATOM 795 CB PHE A 53 6.353 -17.288 -0.358 1.00 0.00 C ATOM 796 CG PHE A 53 5.082 -17.428 0.429 1.00 0.00 C ATOM 797 CD1 PHE A 53 4.965 -16.859 1.687 1.00 0.00 C ATOM 798 CD2 PHE A 53 4.005 -18.129 -0.088 1.00 0.00 C ATOM 799 CE1 PHE A 53 3.796 -16.986 2.415 1.00 0.00 C ATOM 800 CE2 PHE A 53 2.834 -18.259 0.635 1.00 0.00 C ATOM 801 CZ PHE A 53 2.730 -17.687 1.888 1.00 0.00 C ATOM 0 H PHE A 53 4.991 -16.382 -2.215 1.00 0.00 H new ATOM 0 HA PHE A 53 6.303 -15.148 -0.167 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.344 -18.006 -1.178 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.197 -17.546 0.282 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.796 -16.310 2.104 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.081 -18.579 -1.067 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.717 -16.537 3.394 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.001 -18.807 0.220 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.816 -17.788 2.454 1.00 0.00 H new ATOM 811 N LEU A 54 8.333 -15.797 -2.587 1.00 0.00 N ATOM 812 CA LEU A 54 9.699 -15.636 -3.073 1.00 0.00 C ATOM 813 C LEU A 54 10.391 -14.469 -2.376 1.00 0.00 C ATOM 814 O LEU A 54 11.590 -14.519 -2.100 1.00 0.00 O ATOM 815 CB LEU A 54 9.699 -15.414 -4.587 1.00 0.00 C ATOM 816 CG LEU A 54 9.196 -16.581 -5.437 1.00 0.00 C ATOM 817 CD1 LEU A 54 8.726 -16.087 -6.796 1.00 0.00 C ATOM 818 CD2 LEU A 54 10.285 -17.632 -5.597 1.00 0.00 C ATOM 0 H LEU A 54 7.646 -15.993 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 54 10.250 -16.549 -2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.085 -14.540 -4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 54 10.716 -15.175 -4.899 1.00 0.00 H new ATOM 0 HG LEU A 54 8.349 -17.039 -4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.372 -16.931 -7.387 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.915 -15.371 -6.662 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.554 -15.604 -7.314 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.910 -18.455 -6.205 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.152 -17.186 -6.085 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.575 -18.008 -4.616 1.00 0.00 H new ATOM 830 N LYS A 55 9.628 -13.420 -2.092 1.00 0.00 N ATOM 831 CA LYS A 55 10.165 -12.240 -1.424 1.00 0.00 C ATOM 832 C LYS A 55 9.990 -12.345 0.088 1.00 0.00 C ATOM 833 O LYS A 55 9.482 -13.344 0.597 1.00 0.00 O ATOM 834 CB LYS A 55 9.476 -10.976 -1.942 1.00 0.00 C ATOM 835 CG LYS A 55 9.479 -10.859 -3.456 1.00 0.00 C ATOM 836 CD LYS A 55 10.845 -10.449 -3.981 1.00 0.00 C ATOM 837 CE LYS A 55 10.785 -10.066 -5.451 1.00 0.00 C ATOM 838 NZ LYS A 55 12.144 -9.931 -6.045 1.00 0.00 N ATOM 0 H LYS A 55 8.634 -13.362 -2.314 1.00 0.00 H new ATOM 0 HA LYS A 55 11.231 -12.181 -1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.446 -10.963 -1.587 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.971 -10.103 -1.517 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.191 -11.814 -3.896 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.734 -10.127 -3.767 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.222 -9.607 -3.400 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.549 -11.270 -3.846 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.222 -10.821 -6.000 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.246 -9.125 -5.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.060 -9.669 -7.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.673 -9.193 -5.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.649 -10.836 -5.965 1.00 0.00 H new ATOM 852 N LYS A 56 10.411 -11.306 0.801 1.00 0.00 N ATOM 853 CA LYS A 56 10.298 -11.278 2.255 1.00 0.00 C ATOM 854 C LYS A 56 9.484 -10.073 2.714 1.00 0.00 C ATOM 855 O LYS A 56 8.823 -10.117 3.752 1.00 0.00 O ATOM 856 CB LYS A 56 11.688 -11.242 2.894 1.00 0.00 C ATOM 857 CG LYS A 56 12.371 -9.889 2.789 1.00 0.00 C ATOM 858 CD LYS A 56 13.289 -9.635 3.973 1.00 0.00 C ATOM 859 CE LYS A 56 14.703 -10.125 3.697 1.00 0.00 C ATOM 860 NZ LYS A 56 15.632 -9.793 4.812 1.00 0.00 N ATOM 0 H LYS A 56 10.834 -10.471 0.395 1.00 0.00 H new ATOM 0 HA LYS A 56 9.782 -12.184 2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.602 -11.516 3.946 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.317 -11.995 2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.946 -9.842 1.864 1.00 0.00 H new ATOM 0 HG3 LYS A 56 11.618 -9.103 2.736 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.310 -8.568 4.197 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.894 -10.138 4.856 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.690 -11.204 3.544 1.00 0.00 H new ATOM 0 HE3 LYS A 56 15.069 -9.677 2.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.585 -10.143 4.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 15.664 -8.762 4.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 15.297 -10.242 5.688 1.00 0.00 H new ATOM 874 N THR A 57 9.536 -8.997 1.935 1.00 0.00 N ATOM 875 CA THR A 57 8.804 -7.781 2.262 1.00 0.00 C ATOM 876 C THR A 57 7.962 -7.311 1.081 1.00 0.00 C ATOM 877 O THR A 57 8.454 -7.210 -0.044 1.00 0.00 O ATOM 878 CB THR A 57 9.757 -6.646 2.681 1.00 0.00 C ATOM 879 OG1 THR A 57 11.022 -6.802 2.027 1.00 0.00 O ATOM 880 CG2 THR A 57 9.958 -6.637 4.189 1.00 0.00 C ATOM 0 H THR A 57 10.078 -8.944 1.073 1.00 0.00 H new ATOM 0 HA THR A 57 8.149 -8.023 3.099 1.00 0.00 H new ATOM 0 HB THR A 57 9.309 -5.697 2.384 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.622 -6.076 2.297 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.635 -5.827 4.461 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.998 -6.489 4.683 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.386 -7.589 4.505 1.00 0.00 H new ATOM 888 N LEU A 58 6.691 -7.025 1.343 1.00 0.00 N ATOM 889 CA LEU A 58 5.780 -6.565 0.301 1.00 0.00 C ATOM 890 C LEU A 58 5.206 -5.195 0.646 1.00 0.00 C ATOM 891 O LEU A 58 4.832 -4.937 1.790 1.00 0.00 O ATOM 892 CB LEU A 58 4.645 -7.572 0.107 1.00 0.00 C ATOM 893 CG LEU A 58 5.014 -8.866 -0.620 1.00 0.00 C ATOM 894 CD1 LEU A 58 3.769 -9.537 -1.180 1.00 0.00 C ATOM 895 CD2 LEU A 58 6.017 -8.588 -1.730 1.00 0.00 C ATOM 0 H LEU A 58 6.268 -7.104 2.268 1.00 0.00 H new ATOM 0 HA LEU A 58 6.344 -6.479 -0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.244 -7.831 1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.843 -7.084 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 58 5.476 -9.544 0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.051 -10.456 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.085 -9.772 -0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.278 -8.864 -1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.268 -9.520 -2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.582 -7.892 -2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.921 -8.153 -1.303 1.00 0.00 H new ATOM 907 N TYR A 59 5.136 -4.320 -0.352 1.00 0.00 N ATOM 908 CA TYR A 59 4.607 -2.976 -0.154 1.00 0.00 C ATOM 909 C TYR A 59 3.083 -2.978 -0.203 1.00 0.00 C ATOM 910 O TYR A 59 2.475 -3.760 -0.935 1.00 0.00 O ATOM 911 CB TYR A 59 5.162 -2.025 -1.216 1.00 0.00 C ATOM 912 CG TYR A 59 6.671 -2.041 -1.315 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.452 -2.450 -0.241 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.314 -1.649 -2.482 1.00 0.00 C ATOM 915 CE1 TYR A 59 8.831 -2.465 -0.327 1.00 0.00 C ATOM 916 CE2 TYR A 59 8.692 -1.663 -2.577 1.00 0.00 C ATOM 917 CZ TYR A 59 9.446 -2.071 -1.497 1.00 0.00 C ATOM 918 OH TYR A 59 10.819 -2.086 -1.587 1.00 0.00 O ATOM 0 H TYR A 59 5.439 -4.518 -1.306 1.00 0.00 H new ATOM 0 HA TYR A 59 4.920 -2.631 0.832 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.740 -2.290 -2.185 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.832 -1.011 -0.991 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.973 -2.761 0.676 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.727 -1.328 -3.330 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.424 -2.784 0.517 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.176 -1.356 -3.492 1.00 0.00 H new ATOM 0 HH TYR A 59 11.092 -1.781 -2.477 1.00 0.00 H new ATOM 928 N ILE A 60 2.471 -2.096 0.580 1.00 0.00 N ATOM 929 CA ILE A 60 1.017 -1.994 0.625 1.00 0.00 C ATOM 930 C ILE A 60 0.551 -0.603 0.211 1.00 0.00 C ATOM 931 O ILE A 60 0.828 0.396 0.876 1.00 0.00 O ATOM 932 CB ILE A 60 0.474 -2.307 2.032 1.00 0.00 C ATOM 933 CG1 ILE A 60 0.873 -3.724 2.452 1.00 0.00 C ATOM 934 CG2 ILE A 60 -1.038 -2.145 2.064 1.00 0.00 C ATOM 935 CD1 ILE A 60 0.126 -4.808 1.707 1.00 0.00 C ATOM 0 H ILE A 60 2.959 -1.442 1.192 1.00 0.00 H new ATOM 0 HA ILE A 60 0.627 -2.730 -0.078 1.00 0.00 H new ATOM 0 HB ILE A 60 0.910 -1.602 2.740 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.943 -3.854 2.290 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.696 -3.841 3.521 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.407 -2.370 3.065 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.300 -1.120 1.802 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.493 -2.829 1.348 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.460 -5.785 2.056 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.944 -4.704 1.889 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.323 -4.717 0.639 1.00 0.00 H new ATOM 947 N PRO A 61 -0.176 -0.533 -0.914 1.00 0.00 N ATOM 948 CA PRO A 61 -0.699 0.731 -1.441 1.00 0.00 C ATOM 949 C PRO A 61 -1.811 1.307 -0.571 1.00 0.00 C ATOM 950 O PRO A 61 -2.879 0.710 -0.436 1.00 0.00 O ATOM 951 CB PRO A 61 -1.246 0.342 -2.818 1.00 0.00 C ATOM 952 CG PRO A 61 -1.564 -1.109 -2.703 1.00 0.00 C ATOM 953 CD PRO A 61 -0.545 -1.683 -1.757 1.00 0.00 C ATOM 0 HA PRO A 61 0.067 1.506 -1.474 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.133 0.923 -3.070 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.511 0.525 -3.602 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.575 -1.258 -2.325 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.512 -1.598 -3.676 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.961 -2.498 -1.165 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.317 -2.084 -2.290 1.00 0.00 H new ATOM 961 N ILE A 62 -1.552 2.469 0.018 1.00 0.00 N ATOM 962 CA ILE A 62 -2.532 3.126 0.875 1.00 0.00 C ATOM 963 C ILE A 62 -3.350 4.148 0.092 1.00 0.00 C ATOM 964 O ILE A 62 -2.802 5.093 -0.477 1.00 0.00 O ATOM 965 CB ILE A 62 -1.856 3.830 2.066 1.00 0.00 C ATOM 966 CG1 ILE A 62 -0.762 2.940 2.658 1.00 0.00 C ATOM 967 CG2 ILE A 62 -2.888 4.186 3.126 1.00 0.00 C ATOM 968 CD1 ILE A 62 0.601 3.166 2.040 1.00 0.00 C ATOM 0 H ILE A 62 -0.672 2.975 -0.082 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.194 2.347 1.252 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.396 4.752 1.711 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.700 3.120 3.731 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.043 1.895 2.526 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.395 4.683 3.961 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.635 4.853 2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.374 3.277 3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.327 2.501 2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.555 2.958 0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.904 4.201 2.195 1.00 0.00 H new ATOM 980 N LEU A 63 -4.663 3.953 0.068 1.00 0.00 N ATOM 981 CA LEU A 63 -5.558 4.859 -0.644 1.00 0.00 C ATOM 982 C LEU A 63 -6.136 5.907 0.302 1.00 0.00 C ATOM 983 O LEU A 63 -7.040 5.620 1.088 1.00 0.00 O ATOM 984 CB LEU A 63 -6.691 4.073 -1.306 1.00 0.00 C ATOM 985 CG LEU A 63 -6.317 3.286 -2.562 1.00 0.00 C ATOM 986 CD1 LEU A 63 -5.436 2.098 -2.206 1.00 0.00 C ATOM 987 CD2 LEU A 63 -7.568 2.824 -3.294 1.00 0.00 C ATOM 0 H LEU A 63 -5.132 3.176 0.533 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.981 5.370 -1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.100 3.377 -0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.489 4.770 -1.562 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.754 3.943 -3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.180 1.550 -3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.524 2.452 -1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.972 1.439 -1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.283 2.265 -4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.158 2.184 -2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.161 3.691 -3.584 1.00 0.00 H new ATOM 999 N THR A 64 -5.611 7.126 0.219 1.00 0.00 N ATOM 1000 CA THR A 64 -6.075 8.218 1.065 1.00 0.00 C ATOM 1001 C THR A 64 -6.713 9.325 0.234 1.00 0.00 C ATOM 1002 O THR A 64 -6.041 9.981 -0.561 1.00 0.00 O ATOM 1003 CB THR A 64 -4.923 8.813 1.896 1.00 0.00 C ATOM 1004 OG1 THR A 64 -3.772 9.012 1.066 1.00 0.00 O ATOM 1005 CG2 THR A 64 -4.564 7.899 3.058 1.00 0.00 C ATOM 0 H THR A 64 -4.864 7.381 -0.426 1.00 0.00 H new ATOM 0 HA THR A 64 -6.821 7.800 1.740 1.00 0.00 H new ATOM 0 HB THR A 64 -5.252 9.772 2.297 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.052 9.373 0.199 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.748 8.341 3.630 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.433 7.773 3.704 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.253 6.927 2.674 1.00 0.00 H new ATOM 1013 N GLU A 65 -8.013 9.528 0.424 1.00 0.00 N ATOM 1014 CA GLU A 65 -8.740 10.557 -0.309 1.00 0.00 C ATOM 1015 C GLU A 65 -9.431 11.523 0.649 1.00 0.00 C ATOM 1016 O GLU A 65 -9.865 11.150 1.740 1.00 0.00 O ATOM 1017 CB GLU A 65 -9.773 9.918 -1.240 1.00 0.00 C ATOM 1018 CG GLU A 65 -10.411 8.663 -0.669 1.00 0.00 C ATOM 1019 CD GLU A 65 -11.462 8.073 -1.590 1.00 0.00 C ATOM 1020 OE1 GLU A 65 -11.776 8.711 -2.616 1.00 0.00 O ATOM 1021 OE2 GLU A 65 -11.969 6.973 -1.285 1.00 0.00 O ATOM 0 H GLU A 65 -8.584 8.994 1.079 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.021 11.118 -0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.554 10.646 -1.457 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -9.294 9.673 -2.188 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.637 7.919 -0.483 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.866 8.897 0.293 1.00 0.00 H new ATOM 1028 N PRO A 66 -9.536 12.794 0.234 1.00 0.00 N ATOM 1029 CA PRO A 66 -10.174 13.839 1.040 1.00 0.00 C ATOM 1030 C PRO A 66 -11.682 13.648 1.151 1.00 0.00 C ATOM 1031 O PRO A 66 -12.370 14.429 1.808 1.00 0.00 O ATOM 1032 CB PRO A 66 -9.853 15.124 0.272 1.00 0.00 C ATOM 1033 CG PRO A 66 -9.646 14.682 -1.135 1.00 0.00 C ATOM 1034 CD PRO A 66 -9.042 13.308 -1.054 1.00 0.00 C ATOM 0 HA PRO A 66 -9.812 13.838 2.068 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -10.669 15.843 0.345 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.962 15.611 0.669 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -10.590 14.662 -1.680 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -8.986 15.368 -1.666 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -9.360 12.680 -1.886 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -7.953 13.345 -1.081 1.00 0.00 H new ATOM 1042 N ARG A 67 -12.190 12.603 0.505 1.00 0.00 N ATOM 1043 CA ARG A 67 -13.618 12.310 0.530 1.00 0.00 C ATOM 1044 C ARG A 67 -14.216 12.635 1.896 1.00 0.00 C ATOM 1045 O ARG A 67 -15.190 13.381 1.996 1.00 0.00 O ATOM 1046 CB ARG A 67 -13.864 10.838 0.191 1.00 0.00 C ATOM 1047 CG ARG A 67 -15.311 10.527 -0.155 1.00 0.00 C ATOM 1048 CD ARG A 67 -16.159 10.356 1.096 1.00 0.00 C ATOM 1049 NE ARG A 67 -17.290 9.460 0.871 1.00 0.00 N ATOM 1050 CZ ARG A 67 -18.141 9.098 1.825 1.00 0.00 C ATOM 1051 NH1 ARG A 67 -17.989 9.553 3.061 1.00 0.00 N ATOM 1052 NH2 ARG A 67 -19.147 8.280 1.543 1.00 0.00 N ATOM 0 H ARG A 67 -11.634 11.946 -0.042 1.00 0.00 H new ATOM 0 HA ARG A 67 -14.105 12.935 -0.219 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -13.230 10.556 -0.649 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -13.562 10.223 1.039 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -15.721 11.331 -0.766 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -15.356 9.617 -0.753 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -15.540 9.963 1.903 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -16.526 11.329 1.421 1.00 0.00 H new ATOM 0 HE ARG A 67 -17.434 9.092 -0.069 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -17.217 10.183 3.281 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -18.644 9.274 3.791 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -19.268 7.928 0.593 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -19.800 8.003 2.276 1.00 0.00 H new ATOM 1066 N ASP A 68 -13.626 12.070 2.943 1.00 0.00 N ATOM 1067 CA ASP A 68 -14.099 12.300 4.303 1.00 0.00 C ATOM 1068 C ASP A 68 -14.026 13.782 4.661 1.00 0.00 C ATOM 1069 O ASP A 68 -13.287 14.546 4.039 1.00 0.00 O ATOM 1070 CB ASP A 68 -13.275 11.482 5.298 1.00 0.00 C ATOM 1071 CG ASP A 68 -11.828 11.929 5.357 1.00 0.00 C ATOM 1072 OD1 ASP A 68 -11.102 11.722 4.362 1.00 0.00 O ATOM 1073 OD2 ASP A 68 -11.419 12.485 6.399 1.00 0.00 O ATOM 0 H ASP A 68 -12.819 11.449 2.876 1.00 0.00 H new ATOM 0 HA ASP A 68 -15.140 11.982 4.357 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.719 11.567 6.290 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -13.316 10.429 5.020 1.00 0.00 H new ATOM 1078 N LEU A 69 -14.799 14.181 5.665 1.00 0.00 N ATOM 1079 CA LEU A 69 -14.823 15.572 6.105 1.00 0.00 C ATOM 1080 C LEU A 69 -13.439 16.022 6.563 1.00 0.00 C ATOM 1081 O LEU A 69 -12.882 16.985 6.035 1.00 0.00 O ATOM 1082 CB LEU A 69 -15.832 15.750 7.241 1.00 0.00 C ATOM 1083 CG LEU A 69 -17.271 16.050 6.820 1.00 0.00 C ATOM 1084 CD1 LEU A 69 -17.967 14.779 6.359 1.00 0.00 C ATOM 1085 CD2 LEU A 69 -18.038 16.696 7.965 1.00 0.00 C ATOM 0 H LEU A 69 -15.417 13.562 6.189 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.124 16.190 5.259 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -15.833 14.842 7.845 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.486 16.560 7.884 1.00 0.00 H new ATOM 0 HG LEU A 69 -17.247 16.750 5.985 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -18.990 15.011 6.063 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -17.430 14.358 5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.980 14.055 7.174 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -19.060 16.903 7.647 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -18.053 16.020 8.820 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -17.551 17.629 8.249 1.00 0.00 H new ATOM 1097 N PHE A 70 -12.889 15.319 7.547 1.00 0.00 N ATOM 1098 CA PHE A 70 -11.570 15.646 8.076 1.00 0.00 C ATOM 1099 C PHE A 70 -10.521 15.630 6.967 1.00 0.00 C ATOM 1100 O PHE A 70 -10.617 14.853 6.019 1.00 0.00 O ATOM 1101 CB PHE A 70 -11.179 14.658 9.177 1.00 0.00 C ATOM 1102 CG PHE A 70 -11.887 14.901 10.479 1.00 0.00 C ATOM 1103 CD1 PHE A 70 -13.167 14.412 10.689 1.00 0.00 C ATOM 1104 CD2 PHE A 70 -11.274 15.618 11.493 1.00 0.00 C ATOM 1105 CE1 PHE A 70 -13.821 14.633 11.886 1.00 0.00 C ATOM 1106 CE2 PHE A 70 -11.923 15.842 12.692 1.00 0.00 C ATOM 1107 CZ PHE A 70 -13.198 15.350 12.889 1.00 0.00 C ATOM 0 H PHE A 70 -13.336 14.519 7.994 1.00 0.00 H new ATOM 0 HA PHE A 70 -11.614 16.650 8.498 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -11.395 13.645 8.838 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -10.103 14.716 9.341 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -13.659 13.852 9.908 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -10.277 16.006 11.345 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -14.818 14.246 12.037 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -11.433 16.402 13.475 1.00 0.00 H new ATOM 0 HZ PHE A 70 -13.707 15.525 13.825 1.00 0.00 H new ATOM 1117 N ASN A 71 -9.521 16.496 7.096 1.00 0.00 N ATOM 1118 CA ASN A 71 -8.454 16.583 6.105 1.00 0.00 C ATOM 1119 C ASN A 71 -7.086 16.428 6.763 1.00 0.00 C ATOM 1120 O ASN A 71 -6.573 17.361 7.380 1.00 0.00 O ATOM 1121 CB ASN A 71 -8.527 17.919 5.363 1.00 0.00 C ATOM 1122 CG ASN A 71 -7.762 17.896 4.054 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -7.120 16.902 3.715 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -7.827 18.995 3.312 1.00 0.00 N ATOM 0 H ASN A 71 -9.427 17.147 7.876 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.588 15.770 5.391 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.570 18.166 5.167 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.127 18.708 6.000 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.332 19.039 2.421 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.372 19.795 3.633 1.00 0.00 H new ATOM 1131 N SER A 72 -6.501 15.242 6.626 1.00 0.00 N ATOM 1132 CA SER A 72 -5.194 14.963 7.210 1.00 0.00 C ATOM 1133 C SER A 72 -4.079 15.546 6.348 1.00 0.00 C ATOM 1134 O SER A 72 -3.806 15.058 5.252 1.00 0.00 O ATOM 1135 CB SER A 72 -4.996 13.455 7.370 1.00 0.00 C ATOM 1136 OG SER A 72 -5.985 12.897 8.218 1.00 0.00 O ATOM 0 H SER A 72 -6.911 14.460 6.116 1.00 0.00 H new ATOM 0 HA SER A 72 -5.153 15.434 8.192 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.037 12.974 6.393 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.006 13.257 7.781 1.00 0.00 H new ATOM 0 HG SER A 72 -5.837 11.932 8.302 1.00 0.00 H new ATOM 1142 N GLY A 73 -3.436 16.595 6.853 1.00 0.00 N ATOM 1143 CA GLY A 73 -2.357 17.228 6.117 1.00 0.00 C ATOM 1144 C GLY A 73 -1.437 18.031 7.014 1.00 0.00 C ATOM 1145 O GLY A 73 -1.857 18.972 7.688 1.00 0.00 O ATOM 0 H GLY A 73 -3.643 17.017 7.758 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.778 16.464 5.598 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.777 17.883 5.353 1.00 0.00 H new ATOM 1149 N PRO A 74 -0.148 17.659 7.031 1.00 0.00 N ATOM 1150 CA PRO A 74 0.861 18.338 7.849 1.00 0.00 C ATOM 1151 C PRO A 74 1.172 19.742 7.341 1.00 0.00 C ATOM 1152 O PRO A 74 1.150 20.708 8.103 1.00 0.00 O ATOM 1153 CB PRO A 74 2.091 17.437 7.716 1.00 0.00 C ATOM 1154 CG PRO A 74 1.906 16.734 6.416 1.00 0.00 C ATOM 1155 CD PRO A 74 0.423 16.547 6.253 1.00 0.00 C ATOM 0 HA PRO A 74 0.526 18.476 8.877 1.00 0.00 H new ATOM 0 HB2 PRO A 74 3.012 18.020 7.723 1.00 0.00 H new ATOM 0 HB3 PRO A 74 2.155 16.730 8.543 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.318 17.319 5.594 1.00 0.00 H new ATOM 0 HG3 PRO A 74 2.423 15.774 6.414 1.00 0.00 H new ATOM 0 HD2 PRO A 74 0.125 16.594 5.206 1.00 0.00 H new ATOM 0 HD3 PRO A 74 0.096 15.580 6.634 1.00 0.00 H new ATOM 1163 N SER A 75 1.460 19.847 6.047 1.00 0.00 N ATOM 1164 CA SER A 75 1.778 21.133 5.437 1.00 0.00 C ATOM 1165 C SER A 75 1.125 21.259 4.064 1.00 0.00 C ATOM 1166 O SER A 75 1.068 20.295 3.301 1.00 0.00 O ATOM 1167 CB SER A 75 3.294 21.300 5.311 1.00 0.00 C ATOM 1168 OG SER A 75 3.633 22.634 4.975 1.00 0.00 O ATOM 0 H SER A 75 1.480 19.057 5.402 1.00 0.00 H new ATOM 0 HA SER A 75 1.385 21.920 6.080 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.773 21.025 6.251 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.676 20.621 4.548 1.00 0.00 H new ATOM 0 HG SER A 75 4.607 22.716 4.902 1.00 0.00 H new ATOM 1174 N SER A 76 0.634 22.455 3.758 1.00 0.00 N ATOM 1175 CA SER A 76 -0.019 22.708 2.479 1.00 0.00 C ATOM 1176 C SER A 76 0.978 22.600 1.329 1.00 0.00 C ATOM 1177 O SER A 76 2.100 23.097 1.416 1.00 0.00 O ATOM 1178 CB SER A 76 -0.667 24.094 2.478 1.00 0.00 C ATOM 1179 OG SER A 76 0.311 25.114 2.590 1.00 0.00 O ATOM 0 H SER A 76 0.676 23.264 4.378 1.00 0.00 H new ATOM 0 HA SER A 76 -0.792 21.953 2.339 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.237 24.232 1.559 1.00 0.00 H new ATOM 0 HB3 SER A 76 -1.373 24.170 3.305 1.00 0.00 H new ATOM 0 HG SER A 76 -0.128 25.990 2.585 1.00 0.00 H new ATOM 1185 N GLY A 77 0.559 21.945 0.250 1.00 0.00 N ATOM 1186 CA GLY A 77 1.426 21.782 -0.902 1.00 0.00 C ATOM 1187 C GLY A 77 1.174 22.829 -1.970 1.00 0.00 C ATOM 1188 O GLY A 77 1.397 24.019 -1.747 1.00 0.00 O ATOM 0 H GLY A 77 -0.365 21.525 0.154 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.466 21.838 -0.581 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.277 20.790 -1.328 1.00 0.00 H new TER 1192 GLY A 77