USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 640 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 36 THR OG1 : rot -144:sc= -0.859 USER MOD Set 1.2: A 43 GLN : amide:sc= -4.5! C(o=-8.6!,f=-11!) USER MOD Set 1.3: A 74 MET CE :methyl 160:sc= -3.22 (180deg=-2.67!) USER MOD Set 2.1: A 12 GLN : amide:sc=-0.00499 K(o=-0.68,f=-1.8) USER MOD Set 2.2: A 14 TYR OH : rot 30:sc= -0.673 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.019 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.57 USER MOD Single : A 29 LYS NZ :NH3+ 140:sc= -3.28! (180deg=-4.74!) USER MOD Single : A 30 GLN : amide:sc= -0.397 K(o=-0.4,f=-1.8) USER MOD Single : A 33 LYS NZ :NH3+ -121:sc= 1.12 (180deg=-3.17!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0257) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0107) USER MOD Single : A 57 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.27) USER MOD Single : A 60 LYS NZ :NH3+ -161:sc= 0.07 (180deg=0.0206) USER MOD Single : A 65 LYS NZ :NH3+ 138:sc= -0.231 (180deg=-2.2!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.14) USER MOD Single : A 70 THR OG1 : rot -170:sc= -0.0496 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -172:sc= 0 (180deg=-0.0491) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 2.629 -1.710 -3.297 1.00 0.00 N ATOM 19 CA ALA A 2 2.864 -3.053 -3.815 1.00 0.00 C ATOM 20 C ALA A 2 4.313 -3.224 -4.259 1.00 0.00 C ATOM 21 O ALA A 2 4.792 -2.506 -5.138 1.00 0.00 O ATOM 22 CB ALA A 2 1.917 -3.347 -4.969 1.00 0.00 C ATOM 0 HA ALA A 2 2.671 -3.765 -3.012 1.00 0.00 H new ATOM 0 HB1 ALA A 2 2.104 -4.353 -5.346 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.886 -3.275 -4.621 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.081 -2.624 -5.768 1.00 0.00 H new ATOM 28 N LEU A 3 5.006 -4.177 -3.647 1.00 0.00 N ATOM 29 CA LEU A 3 6.401 -4.442 -3.980 1.00 0.00 C ATOM 30 C LEU A 3 6.510 -5.530 -5.044 1.00 0.00 C ATOM 31 O LEU A 3 6.137 -6.683 -4.828 1.00 0.00 O ATOM 32 CB LEU A 3 7.174 -4.858 -2.727 1.00 0.00 C ATOM 33 CG LEU A 3 7.868 -3.731 -1.961 1.00 0.00 C ATOM 34 CD1 LEU A 3 8.644 -4.289 -0.779 1.00 0.00 C ATOM 35 CD2 LEU A 3 8.789 -2.947 -2.885 1.00 0.00 C ATOM 0 H LEU A 3 4.625 -4.779 -2.917 1.00 0.00 H new ATOM 0 HA LEU A 3 6.834 -3.525 -4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.484 -5.360 -2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.927 -5.591 -3.016 1.00 0.00 H new ATOM 0 HG LEU A 3 7.105 -3.052 -1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.131 -3.473 -0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.960 -4.805 -0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.398 -4.990 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.275 -2.149 -2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.547 -3.615 -3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.206 -2.515 -3.699 1.00 0.00 H new ATOM 47 N PRO A 4 7.037 -5.158 -6.220 1.00 0.00 N ATOM 48 CA PRO A 4 7.210 -6.088 -7.339 1.00 0.00 C ATOM 49 C PRO A 4 8.297 -7.123 -7.070 1.00 0.00 C ATOM 50 O PRO A 4 9.200 -6.893 -6.265 1.00 0.00 O ATOM 51 CB PRO A 4 7.618 -5.175 -8.499 1.00 0.00 C ATOM 52 CG PRO A 4 8.236 -3.987 -7.846 1.00 0.00 C ATOM 53 CD PRO A 4 7.504 -3.800 -6.547 1.00 0.00 C ATOM 0 HA PRO A 4 6.307 -6.667 -7.531 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.323 -5.672 -9.165 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.755 -4.891 -9.102 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.301 -4.146 -7.674 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.143 -3.103 -8.477 1.00 0.00 H new ATOM 0 HD2 PRO A 4 8.158 -3.402 -5.771 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.672 -3.103 -6.651 1.00 0.00 H new ATOM 61 N ILE A 5 8.203 -8.262 -7.748 1.00 0.00 N ATOM 62 CA ILE A 5 9.180 -9.331 -7.582 1.00 0.00 C ATOM 63 C ILE A 5 9.375 -10.104 -8.882 1.00 0.00 C ATOM 64 O ILE A 5 8.408 -10.532 -9.513 1.00 0.00 O ATOM 65 CB ILE A 5 8.756 -10.313 -6.473 1.00 0.00 C ATOM 66 CG1 ILE A 5 9.041 -9.714 -5.095 1.00 0.00 C ATOM 67 CG2 ILE A 5 9.479 -11.642 -6.639 1.00 0.00 C ATOM 68 CD1 ILE A 5 9.734 -10.671 -4.151 1.00 0.00 C ATOM 0 H ILE A 5 7.461 -8.468 -8.417 1.00 0.00 H new ATOM 0 HA ILE A 5 10.120 -8.858 -7.298 1.00 0.00 H new ATOM 0 HB ILE A 5 7.684 -10.491 -6.556 1.00 0.00 H new ATOM 0 HG12 ILE A 5 9.659 -8.824 -5.215 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.101 -9.391 -4.647 1.00 0.00 H new ATOM 0 HG21 ILE A 5 9.170 -12.326 -5.849 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.231 -12.073 -7.609 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.555 -11.481 -6.578 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.904 -10.178 -3.194 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.108 -11.551 -4.000 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.690 -10.975 -4.578 1.00 0.00 H new ATOM 80 N ILE A 6 10.632 -10.280 -9.276 1.00 0.00 N ATOM 81 CA ILE A 6 10.955 -11.004 -10.499 1.00 0.00 C ATOM 82 C ILE A 6 11.271 -12.466 -10.206 1.00 0.00 C ATOM 83 O ILE A 6 11.975 -12.780 -9.246 1.00 0.00 O ATOM 84 CB ILE A 6 12.151 -10.368 -11.231 1.00 0.00 C ATOM 85 CG1 ILE A 6 11.749 -9.022 -11.838 1.00 0.00 C ATOM 86 CG2 ILE A 6 12.674 -11.307 -12.308 1.00 0.00 C ATOM 87 CD1 ILE A 6 12.852 -7.987 -11.798 1.00 0.00 C ATOM 0 H ILE A 6 11.443 -9.931 -8.766 1.00 0.00 H new ATOM 0 HA ILE A 6 10.075 -10.947 -11.140 1.00 0.00 H new ATOM 0 HB ILE A 6 12.949 -10.195 -10.509 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.444 -9.176 -12.873 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.881 -8.637 -11.304 1.00 0.00 H new ATOM 0 HG21 ILE A 6 13.519 -10.843 -12.816 1.00 0.00 H new ATOM 0 HG22 ILE A 6 12.995 -12.243 -11.850 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.883 -11.509 -13.030 1.00 0.00 H new ATOM 0 HD11 ILE A 6 12.496 -7.059 -12.245 1.00 0.00 H new ATOM 0 HD12 ILE A 6 13.142 -7.804 -10.763 1.00 0.00 H new ATOM 0 HD13 ILE A 6 13.714 -8.352 -12.357 1.00 0.00 H new ATOM 99 N VAL A 7 10.748 -13.358 -11.040 1.00 0.00 N ATOM 100 CA VAL A 7 10.977 -14.789 -10.872 1.00 0.00 C ATOM 101 C VAL A 7 11.668 -15.382 -12.095 1.00 0.00 C ATOM 102 O VAL A 7 11.393 -14.990 -13.229 1.00 0.00 O ATOM 103 CB VAL A 7 9.656 -15.543 -10.627 1.00 0.00 C ATOM 104 CG1 VAL A 7 8.947 -15.822 -11.943 1.00 0.00 C ATOM 105 CG2 VAL A 7 9.916 -16.836 -9.868 1.00 0.00 C ATOM 0 H VAL A 7 10.163 -13.116 -11.839 1.00 0.00 H new ATOM 0 HA VAL A 7 11.622 -14.907 -10.001 1.00 0.00 H new ATOM 0 HB VAL A 7 9.006 -14.914 -10.019 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.016 -16.355 -11.749 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.728 -14.880 -12.445 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.588 -16.431 -12.580 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.973 -17.357 -9.703 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.584 -17.471 -10.449 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.377 -16.607 -8.907 1.00 0.00 H new ATOM 115 N LYS A 8 12.569 -16.329 -11.856 1.00 0.00 N ATOM 116 CA LYS A 8 13.300 -16.979 -12.937 1.00 0.00 C ATOM 117 C LYS A 8 13.033 -18.481 -12.949 1.00 0.00 C ATOM 118 O LYS A 8 13.306 -19.177 -11.970 1.00 0.00 O ATOM 119 CB LYS A 8 14.801 -16.719 -12.793 1.00 0.00 C ATOM 120 CG LYS A 8 15.522 -16.565 -14.122 1.00 0.00 C ATOM 121 CD LYS A 8 16.772 -15.711 -13.982 1.00 0.00 C ATOM 122 CE LYS A 8 17.104 -14.993 -15.281 1.00 0.00 C ATOM 123 NZ LYS A 8 18.570 -14.787 -15.442 1.00 0.00 N ATOM 0 H LYS A 8 12.810 -16.663 -10.923 1.00 0.00 H new ATOM 0 HA LYS A 8 12.953 -16.559 -13.881 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.950 -15.815 -12.202 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.252 -17.541 -12.238 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.793 -17.548 -14.506 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.850 -16.112 -14.851 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.627 -14.979 -13.187 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.612 -16.339 -13.687 1.00 0.00 H new ATOM 0 HE2 LYS A 8 16.724 -15.571 -16.123 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.597 -14.028 -15.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 18.755 -14.295 -16.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 18.929 -14.214 -14.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 19.052 -15.709 -15.447 1.00 0.00 H new ATOM 137 N TRP A 9 12.500 -18.974 -14.061 1.00 0.00 N ATOM 138 CA TRP A 9 12.198 -20.394 -14.199 1.00 0.00 C ATOM 139 C TRP A 9 12.403 -20.856 -15.637 1.00 0.00 C ATOM 140 O TRP A 9 11.790 -20.327 -16.563 1.00 0.00 O ATOM 141 CB TRP A 9 10.760 -20.675 -13.760 1.00 0.00 C ATOM 142 CG TRP A 9 10.294 -22.058 -14.102 1.00 0.00 C ATOM 143 CD1 TRP A 9 9.144 -22.398 -14.756 1.00 0.00 C ATOM 144 CD2 TRP A 9 10.967 -23.287 -13.806 1.00 0.00 C ATOM 145 NE1 TRP A 9 9.062 -23.763 -14.884 1.00 0.00 N ATOM 146 CE2 TRP A 9 10.168 -24.332 -14.310 1.00 0.00 C ATOM 147 CE3 TRP A 9 12.168 -23.606 -13.166 1.00 0.00 C ATOM 148 CZ2 TRP A 9 10.532 -25.670 -14.192 1.00 0.00 C ATOM 149 CZ3 TRP A 9 12.527 -24.935 -13.049 1.00 0.00 C ATOM 150 CH2 TRP A 9 11.713 -25.954 -13.560 1.00 0.00 C ATOM 0 H TRP A 9 12.268 -18.412 -14.880 1.00 0.00 H new ATOM 0 HA TRP A 9 12.882 -20.950 -13.557 1.00 0.00 H new ATOM 0 HB2 TRP A 9 10.681 -20.529 -12.683 1.00 0.00 H new ATOM 0 HB3 TRP A 9 10.096 -19.949 -14.229 1.00 0.00 H new ATOM 0 HD1 TRP A 9 8.407 -21.697 -15.119 1.00 0.00 H new ATOM 0 HE1 TRP A 9 8.300 -24.271 -15.334 1.00 0.00 H new ATOM 0 HE3 TRP A 9 12.804 -22.828 -12.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 9.905 -26.457 -14.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 13.452 -25.193 -12.555 1.00 0.00 H new ATOM 0 HH2 TRP A 9 12.023 -26.983 -13.453 1.00 0.00 H new ATOM 161 N GLY A 10 13.270 -21.848 -15.818 1.00 0.00 N ATOM 162 CA GLY A 10 13.540 -22.365 -17.147 1.00 0.00 C ATOM 163 C GLY A 10 14.011 -21.288 -18.103 1.00 0.00 C ATOM 164 O GLY A 10 13.703 -21.326 -19.294 1.00 0.00 O ATOM 0 H GLY A 10 13.790 -22.303 -15.068 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.298 -23.146 -17.083 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.637 -22.829 -17.544 1.00 0.00 H new ATOM 168 N GLY A 11 14.760 -20.321 -17.581 1.00 0.00 N ATOM 169 CA GLY A 11 15.260 -19.240 -18.410 1.00 0.00 C ATOM 170 C GLY A 11 14.218 -18.168 -18.657 1.00 0.00 C ATOM 171 O GLY A 11 14.488 -17.176 -19.333 1.00 0.00 O ATOM 0 H GLY A 11 15.029 -20.267 -16.599 1.00 0.00 H new ATOM 0 HA2 GLY A 11 16.131 -18.792 -17.931 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.594 -19.644 -19.366 1.00 0.00 H new ATOM 175 N GLN A 12 13.024 -18.368 -18.107 1.00 0.00 N ATOM 176 CA GLN A 12 11.937 -17.410 -18.273 1.00 0.00 C ATOM 177 C GLN A 12 11.987 -16.337 -17.190 1.00 0.00 C ATOM 178 O GLN A 12 12.599 -16.530 -16.141 1.00 0.00 O ATOM 179 CB GLN A 12 10.587 -18.127 -18.236 1.00 0.00 C ATOM 180 CG GLN A 12 10.482 -19.278 -19.223 1.00 0.00 C ATOM 181 CD GLN A 12 9.306 -20.190 -18.934 1.00 0.00 C ATOM 182 OE1 GLN A 12 8.460 -20.425 -19.798 1.00 0.00 O ATOM 183 NE2 GLN A 12 9.246 -20.710 -17.714 1.00 0.00 N ATOM 0 H GLN A 12 12.785 -19.184 -17.543 1.00 0.00 H new ATOM 0 HA GLN A 12 12.057 -16.927 -19.243 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.414 -18.506 -17.229 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.796 -17.406 -18.446 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.387 -18.878 -20.233 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.403 -19.860 -19.196 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.969 -20.488 -17.029 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.477 -21.331 -17.462 1.00 0.00 H new ATOM 192 N GLU A 13 11.339 -15.207 -17.454 1.00 0.00 N ATOM 193 CA GLU A 13 11.311 -14.103 -16.501 1.00 0.00 C ATOM 194 C GLU A 13 9.890 -13.575 -16.322 1.00 0.00 C ATOM 195 O GLU A 13 9.233 -13.188 -17.288 1.00 0.00 O ATOM 196 CB GLU A 13 12.231 -12.974 -16.968 1.00 0.00 C ATOM 197 CG GLU A 13 13.581 -12.962 -16.271 1.00 0.00 C ATOM 198 CD GLU A 13 14.680 -12.378 -17.137 1.00 0.00 C ATOM 199 OE1 GLU A 13 14.826 -12.828 -18.293 1.00 0.00 O ATOM 200 OE2 GLU A 13 15.394 -11.471 -16.661 1.00 0.00 O ATOM 0 H GLU A 13 10.827 -15.032 -18.319 1.00 0.00 H new ATOM 0 HA GLU A 13 11.665 -14.477 -15.540 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.387 -13.065 -18.043 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.735 -12.018 -16.798 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.505 -12.385 -15.349 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.849 -13.980 -15.988 1.00 0.00 H new ATOM 207 N TYR A 14 9.423 -13.563 -15.078 1.00 0.00 N ATOM 208 CA TYR A 14 8.079 -13.086 -14.771 1.00 0.00 C ATOM 209 C TYR A 14 8.084 -12.216 -13.518 1.00 0.00 C ATOM 210 O TYR A 14 8.509 -12.651 -12.448 1.00 0.00 O ATOM 211 CB TYR A 14 7.127 -14.268 -14.582 1.00 0.00 C ATOM 212 CG TYR A 14 7.195 -15.286 -15.699 1.00 0.00 C ATOM 213 CD1 TYR A 14 6.564 -15.056 -16.915 1.00 0.00 C ATOM 214 CD2 TYR A 14 7.892 -16.477 -15.537 1.00 0.00 C ATOM 215 CE1 TYR A 14 6.623 -15.983 -17.937 1.00 0.00 C ATOM 216 CE2 TYR A 14 7.958 -17.409 -16.554 1.00 0.00 C ATOM 217 CZ TYR A 14 7.322 -17.158 -17.752 1.00 0.00 C ATOM 218 OH TYR A 14 7.385 -18.084 -18.768 1.00 0.00 O ATOM 0 H TYR A 14 9.955 -13.878 -14.266 1.00 0.00 H new ATOM 0 HA TYR A 14 7.734 -12.481 -15.610 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.357 -14.761 -13.638 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.106 -13.893 -14.505 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.018 -14.136 -17.064 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.390 -16.677 -14.600 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.125 -15.789 -18.875 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.505 -18.330 -16.412 1.00 0.00 H new ATOM 0 HH TYR A 14 7.335 -17.625 -19.632 1.00 0.00 H new ATOM 228 N SER A 15 7.606 -10.984 -13.660 1.00 0.00 N ATOM 229 CA SER A 15 7.557 -10.050 -12.541 1.00 0.00 C ATOM 230 C SER A 15 6.158 -10.003 -11.934 1.00 0.00 C ATOM 231 O SER A 15 5.163 -10.245 -12.618 1.00 0.00 O ATOM 232 CB SER A 15 7.973 -8.651 -12.998 1.00 0.00 C ATOM 233 OG SER A 15 7.479 -8.370 -14.297 1.00 0.00 O ATOM 0 H SER A 15 7.247 -10.609 -14.538 1.00 0.00 H new ATOM 0 HA SER A 15 8.254 -10.398 -11.779 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.597 -7.908 -12.294 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.060 -8.572 -12.994 1.00 0.00 H new ATOM 0 HG SER A 15 7.757 -7.469 -14.565 1.00 0.00 H new ATOM 239 N VAL A 16 6.089 -9.690 -10.644 1.00 0.00 N ATOM 240 CA VAL A 16 4.813 -9.610 -9.943 1.00 0.00 C ATOM 241 C VAL A 16 4.411 -8.160 -9.699 1.00 0.00 C ATOM 242 O VAL A 16 5.261 -7.293 -9.494 1.00 0.00 O ATOM 243 CB VAL A 16 4.867 -10.351 -8.594 1.00 0.00 C ATOM 244 CG1 VAL A 16 4.912 -9.360 -7.441 1.00 0.00 C ATOM 245 CG2 VAL A 16 3.677 -11.289 -8.454 1.00 0.00 C ATOM 0 H VAL A 16 6.902 -9.488 -10.063 1.00 0.00 H new ATOM 0 HA VAL A 16 4.070 -10.087 -10.581 1.00 0.00 H new ATOM 0 HB VAL A 16 5.778 -10.948 -8.564 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.950 -9.902 -6.496 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.798 -8.733 -7.535 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.020 -8.734 -7.464 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.731 -11.805 -7.495 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.752 -10.714 -8.505 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.694 -12.021 -9.261 1.00 0.00 H new ATOM 255 N THR A 17 3.107 -7.902 -9.720 1.00 0.00 N ATOM 256 CA THR A 17 2.590 -6.557 -9.501 1.00 0.00 C ATOM 257 C THR A 17 1.183 -6.597 -8.916 1.00 0.00 C ATOM 258 O THR A 17 0.265 -5.960 -9.434 1.00 0.00 O ATOM 259 CB THR A 17 2.567 -5.744 -10.810 1.00 0.00 C ATOM 260 OG1 THR A 17 1.884 -6.480 -11.831 1.00 0.00 O ATOM 261 CG2 THR A 17 3.980 -5.419 -11.270 1.00 0.00 C ATOM 0 H THR A 17 2.389 -8.607 -9.887 1.00 0.00 H new ATOM 0 HA THR A 17 3.261 -6.072 -8.792 1.00 0.00 H new ATOM 0 HB THR A 17 2.040 -4.809 -10.622 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.872 -5.956 -12.659 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.938 -4.845 -12.196 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.487 -4.834 -10.503 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.529 -6.345 -11.442 1.00 0.00 H new ATOM 269 N THR A 18 1.019 -7.349 -7.832 1.00 0.00 N ATOM 270 CA THR A 18 -0.277 -7.473 -7.176 1.00 0.00 C ATOM 271 C THR A 18 -0.138 -7.373 -5.662 1.00 0.00 C ATOM 272 O THR A 18 -0.978 -6.773 -4.989 1.00 0.00 O ATOM 273 CB THR A 18 -0.961 -8.806 -7.531 1.00 0.00 C ATOM 274 OG1 THR A 18 -1.952 -9.125 -6.547 1.00 0.00 O ATOM 275 CG2 THR A 18 0.058 -9.932 -7.615 1.00 0.00 C ATOM 0 H THR A 18 1.768 -7.882 -7.390 1.00 0.00 H new ATOM 0 HA THR A 18 -0.894 -6.650 -7.536 1.00 0.00 H new ATOM 0 HB THR A 18 -1.438 -8.696 -8.505 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.384 -9.973 -6.780 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.449 -10.863 -7.867 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.794 -9.700 -8.385 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.560 -10.041 -6.654 1.00 0.00 H new ATOM 283 N LEU A 19 0.927 -7.962 -5.130 1.00 0.00 N ATOM 284 CA LEU A 19 1.177 -7.939 -3.693 1.00 0.00 C ATOM 285 C LEU A 19 2.566 -7.387 -3.390 1.00 0.00 C ATOM 286 O LEU A 19 3.243 -6.864 -4.275 1.00 0.00 O ATOM 287 CB LEU A 19 1.036 -9.345 -3.108 1.00 0.00 C ATOM 288 CG LEU A 19 2.120 -10.348 -3.503 1.00 0.00 C ATOM 289 CD1 LEU A 19 2.363 -11.342 -2.378 1.00 0.00 C ATOM 290 CD2 LEU A 19 1.733 -11.074 -4.783 1.00 0.00 C ATOM 0 H LEU A 19 1.632 -8.462 -5.672 1.00 0.00 H new ATOM 0 HA LEU A 19 0.438 -7.284 -3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.022 -9.265 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.069 -9.747 -3.410 1.00 0.00 H new ATOM 0 HG LEU A 19 3.046 -9.801 -3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.138 -12.048 -2.677 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.685 -10.808 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.441 -11.883 -2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.516 -11.784 -5.050 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.796 -11.608 -4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.610 -10.350 -5.589 1.00 0.00 H new ATOM 302 N SER A 20 2.986 -7.509 -2.135 1.00 0.00 N ATOM 303 CA SER A 20 4.294 -7.021 -1.715 1.00 0.00 C ATOM 304 C SER A 20 5.128 -8.150 -1.116 1.00 0.00 C ATOM 305 O SER A 20 4.589 -9.148 -0.639 1.00 0.00 O ATOM 306 CB SER A 20 4.138 -5.892 -0.695 1.00 0.00 C ATOM 307 OG SER A 20 2.774 -5.546 -0.523 1.00 0.00 O ATOM 0 H SER A 20 2.439 -7.942 -1.391 1.00 0.00 H new ATOM 0 HA SER A 20 4.810 -6.637 -2.595 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.562 -6.200 0.261 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.699 -5.018 -1.026 1.00 0.00 H new ATOM 0 HG SER A 20 2.700 -4.823 0.135 1.00 0.00 H new ATOM 313 N GLU A 21 6.447 -7.983 -1.147 1.00 0.00 N ATOM 314 CA GLU A 21 7.356 -8.988 -0.608 1.00 0.00 C ATOM 315 C GLU A 21 7.082 -9.231 0.873 1.00 0.00 C ATOM 316 O GLU A 21 7.398 -10.295 1.407 1.00 0.00 O ATOM 317 CB GLU A 21 8.809 -8.551 -0.804 1.00 0.00 C ATOM 318 CG GLU A 21 9.295 -7.565 0.245 1.00 0.00 C ATOM 319 CD GLU A 21 10.736 -7.146 0.029 1.00 0.00 C ATOM 320 OE1 GLU A 21 11.451 -7.846 -0.719 1.00 0.00 O ATOM 321 OE2 GLU A 21 11.149 -6.119 0.607 1.00 0.00 O ATOM 0 H GLU A 21 6.909 -7.163 -1.539 1.00 0.00 H new ATOM 0 HA GLU A 21 7.188 -9.920 -1.148 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.450 -9.432 -0.787 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.914 -8.100 -1.791 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.657 -6.681 0.230 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.195 -8.013 1.233 1.00 0.00 H new ATOM 328 N ASP A 22 6.494 -8.239 1.531 1.00 0.00 N ATOM 329 CA ASP A 22 6.176 -8.344 2.950 1.00 0.00 C ATOM 330 C ASP A 22 4.833 -9.036 3.157 1.00 0.00 C ATOM 331 O ASP A 22 4.337 -9.128 4.280 1.00 0.00 O ATOM 332 CB ASP A 22 6.153 -6.956 3.594 1.00 0.00 C ATOM 333 CG ASP A 22 6.206 -7.019 5.108 1.00 0.00 C ATOM 334 OD1 ASP A 22 7.034 -7.786 5.641 1.00 0.00 O ATOM 335 OD2 ASP A 22 5.419 -6.301 5.758 1.00 0.00 O ATOM 0 H ASP A 22 6.227 -7.352 1.104 1.00 0.00 H new ATOM 0 HA ASP A 22 6.951 -8.945 3.426 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.999 -6.375 3.228 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.249 -6.431 3.287 1.00 0.00 H new ATOM 340 N ASP A 23 4.249 -9.521 2.067 1.00 0.00 N ATOM 341 CA ASP A 23 2.963 -10.206 2.128 1.00 0.00 C ATOM 342 C ASP A 23 3.138 -11.651 2.583 1.00 0.00 C ATOM 343 O ASP A 23 2.819 -11.999 3.720 1.00 0.00 O ATOM 344 CB ASP A 23 2.275 -10.167 0.762 1.00 0.00 C ATOM 345 CG ASP A 23 0.784 -10.422 0.858 1.00 0.00 C ATOM 346 OD1 ASP A 23 0.377 -11.263 1.687 1.00 0.00 O ATOM 347 OD2 ASP A 23 0.023 -9.780 0.104 1.00 0.00 O ATOM 0 H ASP A 23 4.646 -9.452 1.130 1.00 0.00 H new ATOM 0 HA ASP A 23 2.338 -9.689 2.856 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.445 -9.195 0.300 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.727 -10.914 0.109 1.00 0.00 H new ATOM 352 N THR A 24 3.646 -12.491 1.686 1.00 0.00 N ATOM 353 CA THR A 24 3.861 -13.899 1.994 1.00 0.00 C ATOM 354 C THR A 24 4.348 -14.662 0.768 1.00 0.00 C ATOM 355 O THR A 24 3.999 -14.327 -0.364 1.00 0.00 O ATOM 356 CB THR A 24 2.574 -14.563 2.519 1.00 0.00 C ATOM 357 OG1 THR A 24 1.443 -13.733 2.231 1.00 0.00 O ATOM 358 CG2 THR A 24 2.662 -14.805 4.019 1.00 0.00 C ATOM 0 H THR A 24 3.916 -12.220 0.740 1.00 0.00 H new ATOM 0 HA THR A 24 4.625 -13.939 2.771 1.00 0.00 H new ATOM 0 HB THR A 24 2.457 -15.524 2.018 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.628 -14.162 2.567 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.742 -15.275 4.366 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.507 -15.460 4.233 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.801 -13.854 4.533 1.00 0.00 H new ATOM 366 N VAL A 25 5.158 -15.691 1.000 1.00 0.00 N ATOM 367 CA VAL A 25 5.692 -16.503 -0.087 1.00 0.00 C ATOM 368 C VAL A 25 4.571 -17.134 -0.904 1.00 0.00 C ATOM 369 O VAL A 25 4.539 -17.017 -2.130 1.00 0.00 O ATOM 370 CB VAL A 25 6.614 -17.616 0.445 1.00 0.00 C ATOM 371 CG1 VAL A 25 6.457 -18.882 -0.384 1.00 0.00 C ATOM 372 CG2 VAL A 25 8.062 -17.150 0.453 1.00 0.00 C ATOM 0 H VAL A 25 5.458 -15.982 1.930 1.00 0.00 H new ATOM 0 HA VAL A 25 6.271 -15.836 -0.725 1.00 0.00 H new ATOM 0 HB VAL A 25 6.324 -17.844 1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.116 -19.657 0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.424 -19.225 -0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.719 -18.672 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.699 -17.949 0.832 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.367 -16.893 -0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.159 -16.274 1.094 1.00 0.00 H new ATOM 382 N LEU A 26 3.651 -17.804 -0.218 1.00 0.00 N ATOM 383 CA LEU A 26 2.526 -18.454 -0.880 1.00 0.00 C ATOM 384 C LEU A 26 1.676 -17.437 -1.634 1.00 0.00 C ATOM 385 O LEU A 26 0.962 -17.786 -2.575 1.00 0.00 O ATOM 386 CB LEU A 26 1.665 -19.195 0.145 1.00 0.00 C ATOM 387 CG LEU A 26 0.276 -18.610 0.403 1.00 0.00 C ATOM 388 CD1 LEU A 26 -0.712 -19.100 -0.644 1.00 0.00 C ATOM 389 CD2 LEU A 26 -0.204 -18.971 1.801 1.00 0.00 C ATOM 0 H LEU A 26 3.662 -17.911 0.796 1.00 0.00 H new ATOM 0 HA LEU A 26 2.924 -19.171 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.547 -20.226 -0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.206 -19.225 1.091 1.00 0.00 H new ATOM 0 HG LEU A 26 0.341 -17.524 0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.695 -18.673 -0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.376 -18.791 -1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.774 -20.188 -0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.194 -18.546 1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.253 -20.055 1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.491 -18.570 2.539 1.00 0.00 H new ATOM 401 N ASP A 27 1.759 -16.179 -1.217 1.00 0.00 N ATOM 402 CA ASP A 27 1.000 -15.110 -1.856 1.00 0.00 C ATOM 403 C ASP A 27 1.622 -14.726 -3.195 1.00 0.00 C ATOM 404 O ASP A 27 0.918 -14.542 -4.188 1.00 0.00 O ATOM 405 CB ASP A 27 0.934 -13.886 -0.941 1.00 0.00 C ATOM 406 CG ASP A 27 -0.117 -12.887 -1.385 1.00 0.00 C ATOM 407 OD1 ASP A 27 -0.226 -12.645 -2.605 1.00 0.00 O ATOM 408 OD2 ASP A 27 -0.829 -12.347 -0.513 1.00 0.00 O ATOM 0 H ASP A 27 2.344 -15.874 -0.439 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.011 -15.474 -2.037 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.717 -14.209 0.077 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.909 -13.399 -0.920 1.00 0.00 H new ATOM 413 N LEU A 28 2.945 -14.608 -3.214 1.00 0.00 N ATOM 414 CA LEU A 28 3.663 -14.245 -4.431 1.00 0.00 C ATOM 415 C LEU A 28 3.894 -15.469 -5.312 1.00 0.00 C ATOM 416 O LEU A 28 3.577 -15.460 -6.501 1.00 0.00 O ATOM 417 CB LEU A 28 5.003 -13.594 -4.081 1.00 0.00 C ATOM 418 CG LEU A 28 5.502 -12.524 -5.053 1.00 0.00 C ATOM 419 CD1 LEU A 28 6.122 -11.361 -4.293 1.00 0.00 C ATOM 420 CD2 LEU A 28 6.504 -13.118 -6.032 1.00 0.00 C ATOM 0 H LEU A 28 3.542 -14.758 -2.401 1.00 0.00 H new ATOM 0 HA LEU A 28 3.053 -13.531 -4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.919 -13.147 -3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.758 -14.377 -4.014 1.00 0.00 H new ATOM 0 HG LEU A 28 4.650 -12.149 -5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.472 -10.609 -5.000 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.376 -10.919 -3.633 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.963 -11.721 -3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.848 -12.342 -6.716 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.355 -13.521 -5.482 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.028 -13.917 -6.600 1.00 0.00 H new ATOM 432 N LYS A 29 4.447 -16.522 -4.719 1.00 0.00 N ATOM 433 CA LYS A 29 4.718 -17.756 -5.448 1.00 0.00 C ATOM 434 C LYS A 29 3.480 -18.222 -6.207 1.00 0.00 C ATOM 435 O LYS A 29 3.564 -18.603 -7.374 1.00 0.00 O ATOM 436 CB LYS A 29 5.180 -18.851 -4.484 1.00 0.00 C ATOM 437 CG LYS A 29 6.691 -18.965 -4.372 1.00 0.00 C ATOM 438 CD LYS A 29 7.293 -17.751 -3.685 1.00 0.00 C ATOM 439 CE LYS A 29 7.608 -16.646 -4.681 1.00 0.00 C ATOM 440 NZ LYS A 29 8.893 -15.963 -4.364 1.00 0.00 N ATOM 0 H LYS A 29 4.716 -16.546 -3.735 1.00 0.00 H new ATOM 0 HA LYS A 29 5.511 -17.556 -6.169 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.765 -18.652 -3.496 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.775 -19.808 -4.813 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.948 -19.865 -3.813 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.123 -19.073 -5.367 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.600 -17.377 -2.932 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.204 -18.042 -3.163 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.658 -17.066 -5.686 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.799 -15.916 -4.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.409 -15.768 -5.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.698 -15.068 -3.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.470 -16.576 -3.753 1.00 0.00 H new ATOM 454 N GLN A 30 2.332 -18.187 -5.537 1.00 0.00 N ATOM 455 CA GLN A 30 1.077 -18.605 -6.151 1.00 0.00 C ATOM 456 C GLN A 30 0.808 -17.820 -7.430 1.00 0.00 C ATOM 457 O GLN A 30 0.292 -18.364 -8.407 1.00 0.00 O ATOM 458 CB GLN A 30 -0.082 -18.418 -5.170 1.00 0.00 C ATOM 459 CG GLN A 30 -0.427 -16.961 -4.908 1.00 0.00 C ATOM 460 CD GLN A 30 -1.591 -16.477 -5.749 1.00 0.00 C ATOM 461 OE1 GLN A 30 -1.453 -15.545 -6.543 1.00 0.00 O ATOM 462 NE2 GLN A 30 -2.747 -17.108 -5.580 1.00 0.00 N ATOM 0 H GLN A 30 2.245 -17.874 -4.570 1.00 0.00 H new ATOM 0 HA GLN A 30 1.161 -19.661 -6.406 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.963 -18.927 -5.560 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.171 -18.899 -4.225 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.668 -16.833 -3.853 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.447 -16.342 -5.113 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.816 -17.875 -4.911 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.566 -16.826 -6.119 1.00 0.00 H new ATOM 471 N PHE A 31 1.160 -16.539 -7.417 1.00 0.00 N ATOM 472 CA PHE A 31 0.956 -15.678 -8.577 1.00 0.00 C ATOM 473 C PHE A 31 1.834 -16.120 -9.744 1.00 0.00 C ATOM 474 O PHE A 31 1.336 -16.430 -10.827 1.00 0.00 O ATOM 475 CB PHE A 31 1.260 -14.222 -8.217 1.00 0.00 C ATOM 476 CG PHE A 31 0.697 -13.233 -9.198 1.00 0.00 C ATOM 477 CD1 PHE A 31 -0.619 -12.813 -9.100 1.00 0.00 C ATOM 478 CD2 PHE A 31 1.486 -12.723 -10.217 1.00 0.00 C ATOM 479 CE1 PHE A 31 -1.139 -11.903 -10.001 1.00 0.00 C ATOM 480 CE2 PHE A 31 0.971 -11.813 -11.121 1.00 0.00 C ATOM 481 CZ PHE A 31 -0.343 -11.401 -11.012 1.00 0.00 C ATOM 0 H PHE A 31 1.588 -16.074 -6.616 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.088 -15.760 -8.880 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.857 -14.009 -7.227 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.340 -14.088 -8.158 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.246 -13.201 -8.311 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.515 -13.040 -10.306 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.167 -11.585 -9.915 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.595 -11.424 -11.912 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.747 -10.688 -11.716 1.00 0.00 H new ATOM 491 N LEU A 32 3.142 -16.145 -9.516 1.00 0.00 N ATOM 492 CA LEU A 32 4.091 -16.549 -10.548 1.00 0.00 C ATOM 493 C LEU A 32 3.866 -18.001 -10.957 1.00 0.00 C ATOM 494 O LEU A 32 4.160 -18.392 -12.087 1.00 0.00 O ATOM 495 CB LEU A 32 5.525 -16.363 -10.050 1.00 0.00 C ATOM 496 CG LEU A 32 5.844 -16.969 -8.682 1.00 0.00 C ATOM 497 CD1 LEU A 32 6.242 -18.430 -8.825 1.00 0.00 C ATOM 498 CD2 LEU A 32 6.948 -16.179 -7.994 1.00 0.00 C ATOM 0 H LEU A 32 3.570 -15.890 -8.626 1.00 0.00 H new ATOM 0 HA LEU A 32 3.931 -15.917 -11.421 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.203 -16.798 -10.785 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.739 -15.295 -10.011 1.00 0.00 H new ATOM 0 HG LEU A 32 4.947 -16.917 -8.064 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.465 -18.844 -7.842 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.422 -18.988 -9.276 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.125 -18.506 -9.460 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.162 -16.624 -7.022 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.848 -16.200 -8.609 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.626 -15.147 -7.857 1.00 0.00 H new ATOM 510 N LYS A 33 3.341 -18.796 -10.031 1.00 0.00 N ATOM 511 CA LYS A 33 3.073 -20.205 -10.295 1.00 0.00 C ATOM 512 C LYS A 33 2.116 -20.365 -11.472 1.00 0.00 C ATOM 513 O LYS A 33 2.217 -21.320 -12.243 1.00 0.00 O ATOM 514 CB LYS A 33 2.485 -20.875 -9.051 1.00 0.00 C ATOM 515 CG LYS A 33 1.219 -21.667 -9.327 1.00 0.00 C ATOM 516 CD LYS A 33 1.526 -22.991 -10.007 1.00 0.00 C ATOM 517 CE LYS A 33 0.282 -23.595 -10.639 1.00 0.00 C ATOM 518 NZ LYS A 33 0.135 -23.195 -12.066 1.00 0.00 N ATOM 0 H LYS A 33 3.093 -18.489 -9.091 1.00 0.00 H new ATOM 0 HA LYS A 33 4.017 -20.688 -10.548 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.233 -21.540 -8.619 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.270 -20.111 -8.304 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.693 -21.851 -8.390 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.551 -21.079 -9.957 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.287 -22.840 -10.772 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.940 -23.688 -9.278 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.330 -24.682 -10.570 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.599 -23.279 -10.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.770 -22.700 -12.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.917 -22.563 -12.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.155 -24.043 -12.668 1.00 0.00 H new ATOM 532 N THR A 34 1.186 -19.424 -11.605 1.00 0.00 N ATOM 533 CA THR A 34 0.211 -19.461 -12.687 1.00 0.00 C ATOM 534 C THR A 34 0.877 -19.209 -14.035 1.00 0.00 C ATOM 535 O THR A 34 0.381 -19.645 -15.075 1.00 0.00 O ATOM 536 CB THR A 34 -0.904 -18.419 -12.475 1.00 0.00 C ATOM 537 OG1 THR A 34 -2.093 -18.828 -13.161 1.00 0.00 O ATOM 538 CG2 THR A 34 -0.468 -17.051 -12.976 1.00 0.00 C ATOM 0 H THR A 34 1.088 -18.627 -10.976 1.00 0.00 H new ATOM 0 HA THR A 34 -0.229 -20.458 -12.682 1.00 0.00 H new ATOM 0 HB THR A 34 -1.108 -18.349 -11.406 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.798 -18.161 -13.020 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.271 -16.332 -12.816 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.420 -16.730 -12.432 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.240 -17.109 -14.040 1.00 0.00 H new ATOM 546 N LEU A 35 2.002 -18.503 -14.011 1.00 0.00 N ATOM 547 CA LEU A 35 2.737 -18.193 -15.233 1.00 0.00 C ATOM 548 C LEU A 35 3.870 -19.190 -15.455 1.00 0.00 C ATOM 549 O LEU A 35 4.367 -19.344 -16.571 1.00 0.00 O ATOM 550 CB LEU A 35 3.299 -16.772 -15.167 1.00 0.00 C ATOM 551 CG LEU A 35 2.291 -15.665 -14.855 1.00 0.00 C ATOM 552 CD1 LEU A 35 2.956 -14.300 -14.930 1.00 0.00 C ATOM 553 CD2 LEU A 35 1.107 -15.737 -15.809 1.00 0.00 C ATOM 0 H LEU A 35 2.425 -18.134 -13.159 1.00 0.00 H new ATOM 0 HA LEU A 35 2.045 -18.265 -16.072 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.082 -16.747 -14.409 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.773 -16.546 -16.122 1.00 0.00 H new ATOM 0 HG LEU A 35 1.923 -15.811 -13.839 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.223 -13.525 -14.705 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.769 -14.251 -14.206 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.353 -14.143 -15.933 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.400 -14.942 -15.572 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.458 -15.617 -16.834 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.614 -16.704 -15.705 1.00 0.00 H new ATOM 565 N THR A 36 4.273 -19.868 -14.384 1.00 0.00 N ATOM 566 CA THR A 36 5.346 -20.851 -14.462 1.00 0.00 C ATOM 567 C THR A 36 4.789 -22.270 -14.499 1.00 0.00 C ATOM 568 O THR A 36 5.447 -23.193 -14.980 1.00 0.00 O ATOM 569 CB THR A 36 6.313 -20.723 -13.270 1.00 0.00 C ATOM 570 OG1 THR A 36 5.661 -21.135 -12.063 1.00 0.00 O ATOM 571 CG2 THR A 36 6.803 -19.290 -13.123 1.00 0.00 C ATOM 0 H THR A 36 3.872 -19.754 -13.453 1.00 0.00 H new ATOM 0 HA THR A 36 5.890 -20.652 -15.385 1.00 0.00 H new ATOM 0 HB THR A 36 7.172 -21.368 -13.457 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.968 -20.576 -11.318 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.484 -19.224 -12.275 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.324 -18.989 -14.032 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.952 -18.630 -12.957 1.00 0.00 H new ATOM 579 N GLY A 37 3.573 -22.438 -13.989 1.00 0.00 N ATOM 580 CA GLY A 37 2.949 -23.748 -13.975 1.00 0.00 C ATOM 581 C GLY A 37 3.325 -24.556 -12.749 1.00 0.00 C ATOM 582 O GLY A 37 2.683 -25.559 -12.436 1.00 0.00 O ATOM 0 H GLY A 37 3.009 -21.690 -13.585 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.866 -23.632 -14.011 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.241 -24.296 -14.871 1.00 0.00 H new ATOM 586 N VAL A 38 4.371 -24.121 -12.054 1.00 0.00 N ATOM 587 CA VAL A 38 4.833 -24.812 -10.855 1.00 0.00 C ATOM 588 C VAL A 38 4.444 -24.046 -9.596 1.00 0.00 C ATOM 589 O VAL A 38 4.602 -22.826 -9.524 1.00 0.00 O ATOM 590 CB VAL A 38 6.361 -25.007 -10.874 1.00 0.00 C ATOM 591 CG1 VAL A 38 7.060 -23.711 -11.254 1.00 0.00 C ATOM 592 CG2 VAL A 38 6.849 -25.510 -9.524 1.00 0.00 C ATOM 0 H VAL A 38 4.915 -23.294 -12.300 1.00 0.00 H new ATOM 0 HA VAL A 38 4.350 -25.789 -10.846 1.00 0.00 H new ATOM 0 HB VAL A 38 6.606 -25.757 -11.626 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.139 -23.868 -11.262 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.731 -23.397 -12.245 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.812 -22.937 -10.528 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.930 -25.643 -9.554 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.594 -24.785 -8.752 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.373 -26.464 -9.297 1.00 0.00 H new ATOM 602 N LEU A 39 3.936 -24.769 -8.604 1.00 0.00 N ATOM 603 CA LEU A 39 3.525 -24.158 -7.344 1.00 0.00 C ATOM 604 C LEU A 39 4.619 -24.295 -6.290 1.00 0.00 C ATOM 605 O LEU A 39 5.519 -25.127 -6.399 1.00 0.00 O ATOM 606 CB LEU A 39 2.232 -24.802 -6.841 1.00 0.00 C ATOM 607 CG LEU A 39 2.051 -26.285 -7.163 1.00 0.00 C ATOM 608 CD1 LEU A 39 1.694 -26.473 -8.629 1.00 0.00 C ATOM 609 CD2 LEU A 39 3.311 -27.064 -6.815 1.00 0.00 C ATOM 0 H LEU A 39 3.799 -25.779 -8.647 1.00 0.00 H new ATOM 0 HA LEU A 39 3.350 -23.097 -7.523 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.185 -24.677 -5.759 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.389 -24.254 -7.262 1.00 0.00 H new ATOM 0 HG LEU A 39 1.231 -26.671 -6.558 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.569 -27.535 -8.840 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.764 -25.948 -8.847 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.493 -26.071 -9.252 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.164 -28.118 -7.051 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.150 -26.676 -7.393 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.523 -26.956 -5.751 1.00 0.00 H new ATOM 621 N PRO A 40 4.539 -23.461 -5.243 1.00 0.00 N ATOM 622 CA PRO A 40 5.513 -23.471 -4.147 1.00 0.00 C ATOM 623 C PRO A 40 5.400 -24.723 -3.283 1.00 0.00 C ATOM 624 O PRO A 40 6.360 -25.122 -2.626 1.00 0.00 O ATOM 625 CB PRO A 40 5.146 -22.226 -3.335 1.00 0.00 C ATOM 626 CG PRO A 40 3.704 -21.994 -3.628 1.00 0.00 C ATOM 627 CD PRO A 40 3.493 -22.443 -5.048 1.00 0.00 C ATOM 0 HA PRO A 40 6.539 -23.470 -4.514 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.313 -22.385 -2.270 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.752 -21.369 -3.628 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.071 -22.557 -2.942 1.00 0.00 H new ATOM 0 HG3 PRO A 40 3.446 -20.942 -3.509 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.496 -22.858 -5.194 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.600 -21.617 -5.751 1.00 0.00 H new ATOM 635 N GLU A 41 4.221 -25.337 -3.291 1.00 0.00 N ATOM 636 CA GLU A 41 3.984 -26.544 -2.507 1.00 0.00 C ATOM 637 C GLU A 41 4.876 -27.686 -2.984 1.00 0.00 C ATOM 638 O GLU A 41 5.072 -28.673 -2.274 1.00 0.00 O ATOM 639 CB GLU A 41 2.514 -26.957 -2.598 1.00 0.00 C ATOM 640 CG GLU A 41 2.094 -27.410 -3.986 1.00 0.00 C ATOM 641 CD GLU A 41 0.834 -28.254 -3.968 1.00 0.00 C ATOM 642 OE1 GLU A 41 -0.091 -27.923 -3.197 1.00 0.00 O ATOM 643 OE2 GLU A 41 0.774 -29.245 -4.726 1.00 0.00 O ATOM 0 H GLU A 41 3.416 -25.019 -3.831 1.00 0.00 H new ATOM 0 HA GLU A 41 4.228 -26.326 -1.467 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.328 -27.764 -1.890 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.890 -26.116 -2.295 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.932 -26.535 -4.616 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.904 -27.983 -4.438 1.00 0.00 H new ATOM 650 N ARG A 42 5.413 -27.545 -4.192 1.00 0.00 N ATOM 651 CA ARG A 42 6.282 -28.565 -4.765 1.00 0.00 C ATOM 652 C ARG A 42 7.747 -28.148 -4.670 1.00 0.00 C ATOM 653 O ARG A 42 8.616 -28.966 -4.368 1.00 0.00 O ATOM 654 CB ARG A 42 5.908 -28.822 -6.226 1.00 0.00 C ATOM 655 CG ARG A 42 4.796 -29.843 -6.400 1.00 0.00 C ATOM 656 CD ARG A 42 5.343 -31.261 -6.444 1.00 0.00 C ATOM 657 NE ARG A 42 4.435 -32.178 -7.127 1.00 0.00 N ATOM 658 CZ ARG A 42 3.300 -32.620 -6.596 1.00 0.00 C ATOM 659 NH1 ARG A 42 2.936 -32.230 -5.382 1.00 0.00 N ATOM 660 NH2 ARG A 42 2.526 -33.453 -7.281 1.00 0.00 N ATOM 0 H ARG A 42 5.261 -26.734 -4.792 1.00 0.00 H new ATOM 0 HA ARG A 42 6.146 -29.484 -4.195 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.601 -27.882 -6.684 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.792 -29.165 -6.763 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.085 -29.752 -5.579 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.249 -29.634 -7.320 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.308 -31.262 -6.951 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.517 -31.614 -5.427 1.00 0.00 H new ATOM 0 HE ARG A 42 4.686 -32.497 -8.063 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.528 -31.589 -4.853 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.064 -32.571 -4.977 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.802 -33.754 -8.216 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.655 -33.792 -6.873 1.00 0.00 H new ATOM 674 N GLN A 43 8.011 -26.872 -4.930 1.00 0.00 N ATOM 675 CA GLN A 43 9.370 -26.347 -4.875 1.00 0.00 C ATOM 676 C GLN A 43 9.411 -25.018 -4.129 1.00 0.00 C ATOM 677 O GLN A 43 8.374 -24.478 -3.743 1.00 0.00 O ATOM 678 CB GLN A 43 9.929 -26.170 -6.288 1.00 0.00 C ATOM 679 CG GLN A 43 8.892 -25.705 -7.298 1.00 0.00 C ATOM 680 CD GLN A 43 9.386 -24.555 -8.154 1.00 0.00 C ATOM 681 OE1 GLN A 43 9.684 -24.729 -9.336 1.00 0.00 O ATOM 682 NE2 GLN A 43 9.474 -23.371 -7.560 1.00 0.00 N ATOM 0 H GLN A 43 7.302 -26.183 -5.181 1.00 0.00 H new ATOM 0 HA GLN A 43 9.988 -27.065 -4.335 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.745 -25.448 -6.259 1.00 0.00 H new ATOM 0 HB3 GLN A 43 10.352 -27.117 -6.624 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.617 -26.540 -7.942 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.989 -25.399 -6.771 1.00 0.00 H new ATOM 0 HE21 GLN A 43 9.216 -23.273 -6.578 1.00 0.00 H new ATOM 0 HE22 GLN A 43 9.799 -22.560 -8.086 1.00 0.00 H new ATOM 691 N LYS A 44 10.616 -24.494 -3.928 1.00 0.00 N ATOM 692 CA LYS A 44 10.793 -23.227 -3.229 1.00 0.00 C ATOM 693 C LYS A 44 11.720 -22.300 -4.009 1.00 0.00 C ATOM 694 O LYS A 44 12.563 -22.756 -4.782 1.00 0.00 O ATOM 695 CB LYS A 44 11.357 -23.469 -1.827 1.00 0.00 C ATOM 696 CG LYS A 44 12.769 -24.029 -1.828 1.00 0.00 C ATOM 697 CD LYS A 44 12.797 -25.470 -1.347 1.00 0.00 C ATOM 698 CE LYS A 44 14.065 -26.182 -1.793 1.00 0.00 C ATOM 699 NZ LYS A 44 14.622 -27.049 -0.718 1.00 0.00 N ATOM 0 H LYS A 44 11.485 -24.928 -4.240 1.00 0.00 H new ATOM 0 HA LYS A 44 9.818 -22.748 -3.144 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.348 -22.530 -1.274 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.702 -24.159 -1.295 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.183 -23.972 -2.835 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.404 -23.418 -1.187 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.729 -25.493 -0.259 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.926 -26.000 -1.732 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.851 -26.788 -2.673 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.811 -25.444 -2.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.485 -27.516 -1.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.850 -26.468 0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.920 -27.769 -0.454 1.00 0.00 H new ATOM 713 N LEU A 45 11.559 -20.998 -3.800 1.00 0.00 N ATOM 714 CA LEU A 45 12.384 -20.007 -4.483 1.00 0.00 C ATOM 715 C LEU A 45 13.739 -19.861 -3.798 1.00 0.00 C ATOM 716 O LEU A 45 13.824 -19.806 -2.571 1.00 0.00 O ATOM 717 CB LEU A 45 11.668 -18.655 -4.516 1.00 0.00 C ATOM 718 CG LEU A 45 10.820 -18.375 -5.757 1.00 0.00 C ATOM 719 CD1 LEU A 45 11.667 -18.475 -7.016 1.00 0.00 C ATOM 720 CD2 LEU A 45 9.642 -19.336 -5.826 1.00 0.00 C ATOM 0 H LEU A 45 10.866 -20.604 -3.164 1.00 0.00 H new ATOM 0 HA LEU A 45 12.549 -20.349 -5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.026 -18.585 -3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 45 12.417 -17.868 -4.427 1.00 0.00 H new ATOM 0 HG LEU A 45 10.431 -17.359 -5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.046 -18.273 -7.889 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.476 -17.746 -6.969 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.086 -19.478 -7.094 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.049 -19.122 -6.716 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.011 -20.361 -5.873 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.021 -19.215 -4.939 1.00 0.00 H new ATOM 732 N LEU A 46 14.797 -19.797 -4.600 1.00 0.00 N ATOM 733 CA LEU A 46 16.149 -19.655 -4.072 1.00 0.00 C ATOM 734 C LEU A 46 16.223 -18.512 -3.064 1.00 0.00 C ATOM 735 O LEU A 46 16.007 -17.351 -3.410 1.00 0.00 O ATOM 736 CB LEU A 46 17.140 -19.411 -5.211 1.00 0.00 C ATOM 737 CG LEU A 46 18.176 -20.510 -5.447 1.00 0.00 C ATOM 738 CD1 LEU A 46 19.115 -20.124 -6.579 1.00 0.00 C ATOM 739 CD2 LEU A 46 18.959 -20.788 -4.172 1.00 0.00 C ATOM 0 H LEU A 46 14.744 -19.841 -5.618 1.00 0.00 H new ATOM 0 HA LEU A 46 16.412 -20.582 -3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 46 16.575 -19.268 -6.132 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.668 -18.478 -5.013 1.00 0.00 H new ATOM 0 HG LEU A 46 17.652 -21.422 -5.733 1.00 0.00 H new ATOM 0 HD11 LEU A 46 19.846 -20.918 -6.733 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.541 -19.977 -7.494 1.00 0.00 H new ATOM 0 HD13 LEU A 46 19.633 -19.199 -6.323 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.692 -21.573 -4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.472 -19.880 -3.855 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.274 -21.110 -3.387 1.00 0.00 H new ATOM 751 N GLY A 47 16.532 -18.849 -1.816 1.00 0.00 N ATOM 752 CA GLY A 47 16.632 -17.839 -0.778 1.00 0.00 C ATOM 753 C GLY A 47 17.284 -18.367 0.484 1.00 0.00 C ATOM 754 O GLY A 47 18.468 -18.709 0.484 1.00 0.00 O ATOM 0 H GLY A 47 16.715 -19.803 -1.505 1.00 0.00 H new ATOM 0 HA2 GLY A 47 17.207 -16.992 -1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.635 -17.467 -0.540 1.00 0.00 H new ATOM 758 N LEU A 48 16.513 -18.434 1.564 1.00 0.00 N ATOM 759 CA LEU A 48 17.024 -18.923 2.840 1.00 0.00 C ATOM 760 C LEU A 48 15.960 -19.729 3.579 1.00 0.00 C ATOM 761 O LEU A 48 14.801 -19.773 3.167 1.00 0.00 O ATOM 762 CB LEU A 48 17.487 -17.752 3.708 1.00 0.00 C ATOM 763 CG LEU A 48 18.731 -18.001 4.562 1.00 0.00 C ATOM 764 CD1 LEU A 48 19.920 -18.356 3.682 1.00 0.00 C ATOM 765 CD2 LEU A 48 19.044 -16.782 5.417 1.00 0.00 C ATOM 0 H LEU A 48 15.532 -18.156 1.582 1.00 0.00 H new ATOM 0 HA LEU A 48 17.873 -19.576 2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.682 -16.899 3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.668 -17.469 4.369 1.00 0.00 H new ATOM 0 HG LEU A 48 18.531 -18.843 5.225 1.00 0.00 H new ATOM 0 HD11 LEU A 48 20.796 -18.530 4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 48 19.695 -19.258 3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 48 20.122 -17.535 2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 48 19.932 -16.977 6.018 1.00 0.00 H new ATOM 0 HD22 LEU A 48 19.224 -15.922 4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 48 18.200 -16.572 6.074 1.00 0.00 H new ATOM 777 N LYS A 49 16.362 -20.365 4.674 1.00 0.00 N ATOM 778 CA LYS A 49 15.445 -21.167 5.474 1.00 0.00 C ATOM 779 C LYS A 49 15.237 -20.545 6.851 1.00 0.00 C ATOM 780 O LYS A 49 16.193 -20.125 7.504 1.00 0.00 O ATOM 781 CB LYS A 49 15.978 -22.594 5.622 1.00 0.00 C ATOM 782 CG LYS A 49 16.593 -23.148 4.349 1.00 0.00 C ATOM 783 CD LYS A 49 16.430 -24.657 4.263 1.00 0.00 C ATOM 784 CE LYS A 49 17.718 -25.378 4.633 1.00 0.00 C ATOM 785 NZ LYS A 49 18.742 -25.270 3.557 1.00 0.00 N ATOM 0 H LYS A 49 17.318 -20.340 5.028 1.00 0.00 H new ATOM 0 HA LYS A 49 14.485 -21.196 4.959 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.726 -22.613 6.415 1.00 0.00 H new ATOM 0 HB3 LYS A 49 15.163 -23.247 5.936 1.00 0.00 H new ATOM 0 HG2 LYS A 49 16.124 -22.680 3.483 1.00 0.00 H new ATOM 0 HG3 LYS A 49 17.652 -22.893 4.314 1.00 0.00 H new ATOM 0 HD2 LYS A 49 15.629 -24.976 4.929 1.00 0.00 H new ATOM 0 HD3 LYS A 49 16.133 -24.935 3.252 1.00 0.00 H new ATOM 0 HE2 LYS A 49 18.116 -24.959 5.557 1.00 0.00 H new ATOM 0 HE3 LYS A 49 17.503 -26.429 4.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 19.535 -25.909 3.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 18.317 -25.535 2.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 19.090 -24.291 3.506 1.00 0.00 H new ATOM 799 N VAL A 50 13.983 -20.490 7.288 1.00 0.00 N ATOM 800 CA VAL A 50 13.651 -19.921 8.589 1.00 0.00 C ATOM 801 C VAL A 50 13.135 -20.994 9.542 1.00 0.00 C ATOM 802 O VAL A 50 12.286 -21.808 9.178 1.00 0.00 O ATOM 803 CB VAL A 50 12.591 -18.811 8.462 1.00 0.00 C ATOM 804 CG1 VAL A 50 11.276 -19.382 7.957 1.00 0.00 C ATOM 805 CG2 VAL A 50 12.398 -18.105 9.796 1.00 0.00 C ATOM 0 H VAL A 50 13.180 -20.833 6.760 1.00 0.00 H new ATOM 0 HA VAL A 50 14.569 -19.492 8.991 1.00 0.00 H new ATOM 0 HB VAL A 50 12.943 -18.078 7.736 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.540 -18.582 7.874 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.429 -19.837 6.979 1.00 0.00 H new ATOM 0 HG13 VAL A 50 10.915 -20.136 8.656 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.646 -17.324 9.689 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.069 -18.825 10.545 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.341 -17.659 10.112 1.00 0.00 H new ATOM 815 N LYS A 51 13.653 -20.990 10.765 1.00 0.00 N ATOM 816 CA LYS A 51 13.245 -21.961 11.773 1.00 0.00 C ATOM 817 C LYS A 51 13.573 -23.382 11.325 1.00 0.00 C ATOM 818 O LYS A 51 12.994 -24.348 11.818 1.00 0.00 O ATOM 819 CB LYS A 51 11.746 -21.837 12.053 1.00 0.00 C ATOM 820 CG LYS A 51 11.311 -20.430 12.426 1.00 0.00 C ATOM 821 CD LYS A 51 11.820 -20.036 13.802 1.00 0.00 C ATOM 822 CE LYS A 51 10.894 -20.532 14.902 1.00 0.00 C ATOM 823 NZ LYS A 51 9.820 -19.548 15.209 1.00 0.00 N ATOM 0 H LYS A 51 14.357 -20.324 11.083 1.00 0.00 H new ATOM 0 HA LYS A 51 13.798 -21.751 12.688 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.192 -22.157 11.170 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.478 -22.517 12.862 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.683 -19.724 11.683 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.223 -20.368 12.408 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.818 -20.446 13.953 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.909 -18.951 13.861 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.444 -21.478 14.599 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.474 -20.729 15.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.211 -19.923 15.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.248 -18.654 15.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.250 -19.379 14.356 1.00 0.00 H new ATOM 837 N GLY A 52 14.508 -23.500 10.386 1.00 0.00 N ATOM 838 CA GLY A 52 14.897 -24.806 9.888 1.00 0.00 C ATOM 839 C GLY A 52 14.033 -25.268 8.732 1.00 0.00 C ATOM 840 O GLY A 52 14.295 -26.307 8.126 1.00 0.00 O ATOM 0 H GLY A 52 15.002 -22.715 9.962 1.00 0.00 H new ATOM 0 HA2 GLY A 52 15.939 -24.774 9.568 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.834 -25.533 10.697 1.00 0.00 H new ATOM 844 N LYS A 53 12.997 -24.495 8.424 1.00 0.00 N ATOM 845 CA LYS A 53 12.089 -24.829 7.333 1.00 0.00 C ATOM 846 C LYS A 53 12.458 -24.065 6.065 1.00 0.00 C ATOM 847 O LYS A 53 12.901 -22.917 6.110 1.00 0.00 O ATOM 848 CB LYS A 53 10.645 -24.513 7.729 1.00 0.00 C ATOM 849 CG LYS A 53 10.050 -25.512 8.706 1.00 0.00 C ATOM 850 CD LYS A 53 9.067 -26.445 8.020 1.00 0.00 C ATOM 851 CE LYS A 53 8.007 -26.948 8.989 1.00 0.00 C ATOM 852 NZ LYS A 53 8.598 -27.777 10.076 1.00 0.00 N ATOM 0 H LYS A 53 12.765 -23.632 8.915 1.00 0.00 H new ATOM 0 HA LYS A 53 12.179 -25.897 7.132 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.608 -23.518 8.172 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.029 -24.485 6.831 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.849 -26.096 9.163 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.545 -24.978 9.511 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.587 -25.924 7.192 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.604 -27.293 7.595 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.481 -26.099 9.425 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.267 -27.536 8.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.838 -28.156 10.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.136 -28.564 9.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.234 -27.191 10.653 1.00 0.00 H new ATOM 866 N PRO A 54 12.272 -24.715 4.907 1.00 0.00 N ATOM 867 CA PRO A 54 12.578 -24.115 3.604 1.00 0.00 C ATOM 868 C PRO A 54 11.612 -22.992 3.243 1.00 0.00 C ATOM 869 O PRO A 54 10.857 -23.097 2.277 1.00 0.00 O ATOM 870 CB PRO A 54 12.426 -25.286 2.630 1.00 0.00 C ATOM 871 CG PRO A 54 11.482 -26.220 3.305 1.00 0.00 C ATOM 872 CD PRO A 54 11.748 -26.085 4.779 1.00 0.00 C ATOM 0 HA PRO A 54 13.566 -23.656 3.588 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.034 -24.953 1.669 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.385 -25.765 2.434 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.448 -25.967 3.070 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.643 -27.245 2.972 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.840 -26.224 5.366 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.469 -26.825 5.127 1.00 0.00 H new ATOM 880 N ALA A 55 11.643 -21.917 4.024 1.00 0.00 N ATOM 881 CA ALA A 55 10.772 -20.773 3.783 1.00 0.00 C ATOM 882 C ALA A 55 9.323 -21.215 3.603 1.00 0.00 C ATOM 883 O ALA A 55 8.839 -21.341 2.479 1.00 0.00 O ATOM 884 CB ALA A 55 11.245 -19.997 2.563 1.00 0.00 C ATOM 0 H ALA A 55 12.262 -21.814 4.829 1.00 0.00 H new ATOM 0 HA ALA A 55 10.820 -20.121 4.655 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.585 -19.146 2.395 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.262 -19.641 2.730 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.227 -20.648 1.689 1.00 0.00 H new ATOM 890 N GLU A 56 8.637 -21.448 4.718 1.00 0.00 N ATOM 891 CA GLU A 56 7.244 -21.877 4.681 1.00 0.00 C ATOM 892 C GLU A 56 6.421 -20.975 3.766 1.00 0.00 C ATOM 893 O GLU A 56 6.863 -19.892 3.384 1.00 0.00 O ATOM 894 CB GLU A 56 6.648 -21.871 6.090 1.00 0.00 C ATOM 895 CG GLU A 56 5.653 -22.993 6.335 1.00 0.00 C ATOM 896 CD GLU A 56 6.305 -24.362 6.331 1.00 0.00 C ATOM 897 OE1 GLU A 56 6.608 -24.871 5.232 1.00 0.00 O ATOM 898 OE2 GLU A 56 6.512 -24.925 7.427 1.00 0.00 O ATOM 0 H GLU A 56 9.023 -21.347 5.657 1.00 0.00 H new ATOM 0 HA GLU A 56 7.214 -22.892 4.285 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.456 -21.948 6.817 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.154 -20.915 6.262 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.159 -22.833 7.293 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.879 -22.961 5.568 1.00 0.00 H new ATOM 905 N ASN A 57 5.222 -21.431 3.418 1.00 0.00 N ATOM 906 CA ASN A 57 4.337 -20.666 2.546 1.00 0.00 C ATOM 907 C ASN A 57 3.899 -19.369 3.219 1.00 0.00 C ATOM 908 O ASN A 57 3.640 -18.368 2.550 1.00 0.00 O ATOM 909 CB ASN A 57 3.110 -21.500 2.173 1.00 0.00 C ATOM 910 CG ASN A 57 3.430 -22.977 2.047 1.00 0.00 C ATOM 911 OD1 ASN A 57 2.982 -23.792 2.854 1.00 0.00 O ATOM 912 ND2 ASN A 57 4.211 -23.328 1.032 1.00 0.00 N ATOM 0 H ASN A 57 4.841 -22.326 3.726 1.00 0.00 H new ATOM 0 HA ASN A 57 4.888 -20.416 1.639 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.337 -21.362 2.929 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.701 -21.138 1.230 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.462 -24.307 0.897 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.559 -22.618 0.388 1.00 0.00 H new ATOM 919 N ASP A 58 3.820 -19.394 4.544 1.00 0.00 N ATOM 920 CA ASP A 58 3.415 -18.219 5.308 1.00 0.00 C ATOM 921 C ASP A 58 4.589 -17.262 5.496 1.00 0.00 C ATOM 922 O ASP A 58 4.414 -16.130 5.947 1.00 0.00 O ATOM 923 CB ASP A 58 2.859 -18.637 6.670 1.00 0.00 C ATOM 924 CG ASP A 58 1.977 -17.569 7.288 1.00 0.00 C ATOM 925 OD1 ASP A 58 0.771 -17.537 6.967 1.00 0.00 O ATOM 926 OD2 ASP A 58 2.494 -16.766 8.092 1.00 0.00 O ATOM 0 H ASP A 58 4.031 -20.214 5.112 1.00 0.00 H new ATOM 0 HA ASP A 58 2.635 -17.703 4.748 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.286 -19.557 6.558 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.686 -18.856 7.345 1.00 0.00 H new ATOM 931 N VAL A 59 5.785 -17.725 5.148 1.00 0.00 N ATOM 932 CA VAL A 59 6.988 -16.911 5.278 1.00 0.00 C ATOM 933 C VAL A 59 7.012 -15.797 4.238 1.00 0.00 C ATOM 934 O VAL A 59 6.794 -16.036 3.050 1.00 0.00 O ATOM 935 CB VAL A 59 8.262 -17.764 5.131 1.00 0.00 C ATOM 936 CG1 VAL A 59 9.501 -16.882 5.157 1.00 0.00 C ATOM 937 CG2 VAL A 59 8.325 -18.819 6.225 1.00 0.00 C ATOM 0 H VAL A 59 5.947 -18.660 4.774 1.00 0.00 H new ATOM 0 HA VAL A 59 6.967 -16.472 6.276 1.00 0.00 H new ATOM 0 HB VAL A 59 8.229 -18.274 4.168 1.00 0.00 H new ATOM 0 HG11 VAL A 59 10.391 -17.502 5.052 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.457 -16.168 4.334 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.544 -16.343 6.103 1.00 0.00 H new ATOM 0 HG21 VAL A 59 9.231 -19.413 6.106 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.336 -18.332 7.200 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.453 -19.469 6.154 1.00 0.00 H new ATOM 947 N LYS A 60 7.279 -14.577 4.692 1.00 0.00 N ATOM 948 CA LYS A 60 7.335 -13.424 3.802 1.00 0.00 C ATOM 949 C LYS A 60 8.508 -13.540 2.834 1.00 0.00 C ATOM 950 O LYS A 60 9.461 -14.279 3.083 1.00 0.00 O ATOM 951 CB LYS A 60 7.455 -12.132 4.614 1.00 0.00 C ATOM 952 CG LYS A 60 6.744 -12.188 5.955 1.00 0.00 C ATOM 953 CD LYS A 60 6.065 -10.868 6.281 1.00 0.00 C ATOM 954 CE LYS A 60 4.567 -11.045 6.472 1.00 0.00 C ATOM 955 NZ LYS A 60 3.954 -9.875 7.161 1.00 0.00 N ATOM 0 H LYS A 60 7.460 -14.361 5.672 1.00 0.00 H new ATOM 0 HA LYS A 60 6.411 -13.398 3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.510 -11.914 4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.047 -11.307 4.030 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.002 -12.986 5.942 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.461 -12.433 6.738 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.501 -10.447 7.187 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.249 -10.155 5.478 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.091 -11.185 5.501 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.379 -11.948 7.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.033 -10.149 7.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.580 -9.556 7.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.821 -9.101 6.479 1.00 0.00 H new ATOM 969 N LEU A 61 8.433 -12.804 1.730 1.00 0.00 N ATOM 970 CA LEU A 61 9.490 -12.823 0.725 1.00 0.00 C ATOM 971 C LEU A 61 10.742 -12.119 1.238 1.00 0.00 C ATOM 972 O LEU A 61 11.783 -12.745 1.431 1.00 0.00 O ATOM 973 CB LEU A 61 9.007 -12.154 -0.564 1.00 0.00 C ATOM 974 CG LEU A 61 7.908 -12.890 -1.331 1.00 0.00 C ATOM 975 CD1 LEU A 61 8.256 -14.363 -1.481 1.00 0.00 C ATOM 976 CD2 LEU A 61 6.567 -12.726 -0.630 1.00 0.00 C ATOM 0 H LEU A 61 7.652 -12.187 1.508 1.00 0.00 H new ATOM 0 HA LEU A 61 9.740 -13.863 0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.645 -11.156 -0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.863 -12.028 -1.227 1.00 0.00 H new ATOM 0 HG LEU A 61 7.831 -12.453 -2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.462 -14.870 -2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.194 -14.461 -2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.361 -14.814 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.797 -13.256 -1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.631 -13.136 0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.312 -11.668 -0.575 1.00 0.00 H new ATOM 988 N GLY A 62 10.632 -10.812 1.459 1.00 0.00 N ATOM 989 CA GLY A 62 11.762 -10.045 1.950 1.00 0.00 C ATOM 990 C GLY A 62 12.340 -10.619 3.228 1.00 0.00 C ATOM 991 O GLY A 62 13.432 -10.238 3.649 1.00 0.00 O ATOM 0 H GLY A 62 9.781 -10.271 1.307 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.538 -10.016 1.185 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.450 -9.016 2.126 1.00 0.00 H new ATOM 995 N ALA A 63 11.605 -11.536 3.849 1.00 0.00 N ATOM 996 CA ALA A 63 12.052 -12.163 5.087 1.00 0.00 C ATOM 997 C ALA A 63 13.375 -12.893 4.886 1.00 0.00 C ATOM 998 O ALA A 63 14.384 -12.554 5.507 1.00 0.00 O ATOM 999 CB ALA A 63 10.991 -13.122 5.606 1.00 0.00 C ATOM 0 H ALA A 63 10.698 -11.861 3.515 1.00 0.00 H new ATOM 0 HA ALA A 63 12.209 -11.378 5.827 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.338 -13.583 6.531 1.00 0.00 H new ATOM 0 HB2 ALA A 63 10.068 -12.575 5.798 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.805 -13.897 4.862 1.00 0.00 H new ATOM 1005 N LEU A 64 13.366 -13.896 4.016 1.00 0.00 N ATOM 1006 CA LEU A 64 14.566 -14.676 3.733 1.00 0.00 C ATOM 1007 C LEU A 64 14.878 -14.673 2.240 1.00 0.00 C ATOM 1008 O LEU A 64 16.042 -14.678 1.838 1.00 0.00 O ATOM 1009 CB LEU A 64 14.393 -16.113 4.227 1.00 0.00 C ATOM 1010 CG LEU A 64 12.952 -16.589 4.415 1.00 0.00 C ATOM 1011 CD1 LEU A 64 12.250 -16.709 3.071 1.00 0.00 C ATOM 1012 CD2 LEU A 64 12.921 -17.918 5.155 1.00 0.00 C ATOM 0 H LEU A 64 12.540 -14.189 3.494 1.00 0.00 H new ATOM 0 HA LEU A 64 15.401 -14.216 4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.886 -16.781 3.520 1.00 0.00 H new ATOM 0 HB3 LEU A 64 14.915 -16.214 5.178 1.00 0.00 H new ATOM 0 HG LEU A 64 12.421 -15.850 5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.226 -17.049 3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.240 -15.737 2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.781 -17.427 2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.887 -18.241 5.280 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.469 -18.666 4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 64 13.385 -17.800 6.134 1.00 0.00 H new ATOM 1024 N LYS A 65 13.831 -14.663 1.422 1.00 0.00 N ATOM 1025 CA LYS A 65 13.992 -14.656 -0.027 1.00 0.00 C ATOM 1026 C LYS A 65 14.993 -13.589 -0.458 1.00 0.00 C ATOM 1027 O LYS A 65 16.177 -13.873 -0.645 1.00 0.00 O ATOM 1028 CB LYS A 65 12.644 -14.411 -0.709 1.00 0.00 C ATOM 1029 CG LYS A 65 11.585 -15.439 -0.351 1.00 0.00 C ATOM 1030 CD LYS A 65 11.903 -16.799 -0.951 1.00 0.00 C ATOM 1031 CE LYS A 65 11.934 -17.884 0.114 1.00 0.00 C ATOM 1032 NZ LYS A 65 11.663 -19.232 -0.460 1.00 0.00 N ATOM 0 H LYS A 65 12.861 -14.660 1.738 1.00 0.00 H new ATOM 0 HA LYS A 65 14.374 -15.631 -0.330 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.283 -13.420 -0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.788 -14.411 -1.789 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.513 -15.526 0.733 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.613 -15.101 -0.709 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.156 -17.049 -1.705 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.867 -16.758 -1.458 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.909 -17.886 0.602 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.193 -17.661 0.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.311 -19.926 -0.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.681 -19.505 -0.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.808 -19.206 -1.490 1.00 0.00 H new ATOM 1046 N LEU A 66 14.511 -12.360 -0.613 1.00 0.00 N ATOM 1047 CA LEU A 66 15.365 -11.250 -1.021 1.00 0.00 C ATOM 1048 C LEU A 66 14.543 -9.983 -1.239 1.00 0.00 C ATOM 1049 O LEU A 66 13.350 -9.944 -0.939 1.00 0.00 O ATOM 1050 CB LEU A 66 16.123 -11.606 -2.301 1.00 0.00 C ATOM 1051 CG LEU A 66 15.340 -12.406 -3.343 1.00 0.00 C ATOM 1052 CD1 LEU A 66 14.188 -11.581 -3.895 1.00 0.00 C ATOM 1053 CD2 LEU A 66 16.260 -12.860 -4.468 1.00 0.00 C ATOM 0 H LEU A 66 13.534 -12.108 -0.462 1.00 0.00 H new ATOM 0 HA LEU A 66 16.083 -11.064 -0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.467 -10.682 -2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 66 17.011 -12.175 -2.027 1.00 0.00 H new ATOM 0 HG LEU A 66 14.927 -13.290 -2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.643 -12.167 -4.635 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.515 -11.306 -3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.579 -10.678 -4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 66 15.686 -13.428 -5.200 1.00 0.00 H new ATOM 0 HD22 LEU A 66 16.703 -11.988 -4.950 1.00 0.00 H new ATOM 0 HD23 LEU A 66 17.051 -13.489 -4.060 1.00 0.00 H new ATOM 1065 N LYS A 67 15.189 -8.948 -1.766 1.00 0.00 N ATOM 1066 CA LYS A 67 14.519 -7.680 -2.028 1.00 0.00 C ATOM 1067 C LYS A 67 13.425 -7.850 -3.077 1.00 0.00 C ATOM 1068 O LYS A 67 13.352 -8.862 -3.775 1.00 0.00 O ATOM 1069 CB LYS A 67 15.531 -6.632 -2.497 1.00 0.00 C ATOM 1070 CG LYS A 67 15.944 -5.657 -1.409 1.00 0.00 C ATOM 1071 CD LYS A 67 16.855 -4.568 -1.952 1.00 0.00 C ATOM 1072 CE LYS A 67 17.192 -3.539 -0.884 1.00 0.00 C ATOM 1073 NZ LYS A 67 18.296 -2.636 -1.313 1.00 0.00 N ATOM 0 H LYS A 67 16.177 -8.963 -2.020 1.00 0.00 H new ATOM 0 HA LYS A 67 14.059 -7.342 -1.099 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.419 -7.140 -2.875 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.104 -6.074 -3.330 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.056 -5.204 -0.969 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.455 -6.196 -0.611 1.00 0.00 H new ATOM 0 HD2 LYS A 67 17.774 -5.016 -2.330 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.371 -4.074 -2.795 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.305 -2.947 -0.658 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.477 -4.050 0.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 18.496 -1.949 -0.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 19.150 -3.198 -1.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.014 -2.129 -2.176 1.00 0.00 H new ATOM 1087 N PRO A 68 12.553 -6.837 -3.194 1.00 0.00 N ATOM 1088 CA PRO A 68 11.449 -6.851 -4.157 1.00 0.00 C ATOM 1089 C PRO A 68 11.934 -6.728 -5.598 1.00 0.00 C ATOM 1090 O PRO A 68 11.712 -7.621 -6.415 1.00 0.00 O ATOM 1091 CB PRO A 68 10.621 -5.624 -3.765 1.00 0.00 C ATOM 1092 CG PRO A 68 11.591 -4.712 -3.096 1.00 0.00 C ATOM 1093 CD PRO A 68 12.580 -5.601 -2.395 1.00 0.00 C ATOM 0 HA PRO A 68 10.892 -7.787 -4.124 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.173 -5.153 -4.640 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.805 -5.894 -3.095 1.00 0.00 H new ATOM 0 HG2 PRO A 68 12.089 -4.071 -3.823 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.085 -4.056 -2.387 1.00 0.00 H new ATOM 0 HD2 PRO A 68 13.575 -5.157 -2.375 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.292 -5.785 -1.360 1.00 0.00 H new ATOM 1101 N ASN A 69 12.597 -5.618 -5.901 1.00 0.00 N ATOM 1102 CA ASN A 69 13.114 -5.379 -7.244 1.00 0.00 C ATOM 1103 C ASN A 69 14.050 -6.504 -7.675 1.00 0.00 C ATOM 1104 O ASN A 69 14.269 -6.724 -8.867 1.00 0.00 O ATOM 1105 CB ASN A 69 13.850 -4.039 -7.299 1.00 0.00 C ATOM 1106 CG ASN A 69 14.836 -3.873 -6.159 1.00 0.00 C ATOM 1107 OD1 ASN A 69 15.939 -4.419 -6.193 1.00 0.00 O ATOM 1108 ND2 ASN A 69 14.442 -3.117 -5.141 1.00 0.00 N ATOM 0 H ASN A 69 12.789 -4.869 -5.235 1.00 0.00 H new ATOM 0 HA ASN A 69 12.269 -5.350 -7.932 1.00 0.00 H new ATOM 0 HB2 ASN A 69 14.379 -3.957 -8.248 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.123 -3.227 -7.268 1.00 0.00 H new ATOM 0 HD21 ASN A 69 15.063 -2.970 -4.345 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.519 -2.684 -5.155 1.00 0.00 H new ATOM 1115 N THR A 70 14.602 -7.215 -6.696 1.00 0.00 N ATOM 1116 CA THR A 70 15.515 -8.317 -6.972 1.00 0.00 C ATOM 1117 C THR A 70 14.768 -9.524 -7.528 1.00 0.00 C ATOM 1118 O THR A 70 13.617 -9.774 -7.168 1.00 0.00 O ATOM 1119 CB THR A 70 16.283 -8.741 -5.707 1.00 0.00 C ATOM 1120 OG1 THR A 70 17.076 -7.650 -5.226 1.00 0.00 O ATOM 1121 CG2 THR A 70 17.178 -9.937 -5.992 1.00 0.00 C ATOM 0 H THR A 70 14.432 -7.047 -5.704 1.00 0.00 H new ATOM 0 HA THR A 70 16.226 -7.959 -7.716 1.00 0.00 H new ATOM 0 HB THR A 70 15.556 -9.025 -4.946 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.678 -7.969 -4.522 1.00 0.00 H new ATOM 0 HG21 THR A 70 17.710 -10.218 -5.083 1.00 0.00 H new ATOM 0 HG22 THR A 70 16.569 -10.775 -6.329 1.00 0.00 H new ATOM 0 HG23 THR A 70 17.898 -9.676 -6.768 1.00 0.00 H new ATOM 1129 N LYS A 71 15.429 -10.270 -8.406 1.00 0.00 N ATOM 1130 CA LYS A 71 14.828 -11.453 -9.011 1.00 0.00 C ATOM 1131 C LYS A 71 15.232 -12.715 -8.255 1.00 0.00 C ATOM 1132 O LYS A 71 16.338 -12.802 -7.721 1.00 0.00 O ATOM 1133 CB LYS A 71 15.246 -11.569 -10.478 1.00 0.00 C ATOM 1134 CG LYS A 71 16.751 -11.619 -10.680 1.00 0.00 C ATOM 1135 CD LYS A 71 17.321 -10.241 -10.970 1.00 0.00 C ATOM 1136 CE LYS A 71 17.430 -9.986 -12.466 1.00 0.00 C ATOM 1137 NZ LYS A 71 18.700 -10.522 -13.029 1.00 0.00 N ATOM 0 H LYS A 71 16.382 -10.076 -8.715 1.00 0.00 H new ATOM 0 HA LYS A 71 13.744 -11.348 -8.956 1.00 0.00 H new ATOM 0 HB2 LYS A 71 14.801 -12.468 -10.904 1.00 0.00 H new ATOM 0 HB3 LYS A 71 14.842 -10.721 -11.030 1.00 0.00 H new ATOM 0 HG2 LYS A 71 17.225 -12.030 -9.789 1.00 0.00 H new ATOM 0 HG3 LYS A 71 16.986 -12.292 -11.505 1.00 0.00 H new ATOM 0 HD2 LYS A 71 16.686 -9.480 -10.516 1.00 0.00 H new ATOM 0 HD3 LYS A 71 18.306 -10.150 -10.512 1.00 0.00 H new ATOM 0 HE2 LYS A 71 16.584 -10.447 -12.976 1.00 0.00 H new ATOM 0 HE3 LYS A 71 17.372 -8.914 -12.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 18.736 -10.328 -14.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 19.508 -10.064 -12.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 18.744 -11.549 -12.870 1.00 0.00 H new ATOM 1151 N ILE A 72 14.330 -13.690 -8.215 1.00 0.00 N ATOM 1152 CA ILE A 72 14.595 -14.947 -7.527 1.00 0.00 C ATOM 1153 C ILE A 72 14.618 -16.116 -8.507 1.00 0.00 C ATOM 1154 O ILE A 72 14.020 -16.051 -9.580 1.00 0.00 O ATOM 1155 CB ILE A 72 13.542 -15.226 -6.438 1.00 0.00 C ATOM 1156 CG1 ILE A 72 12.522 -14.086 -6.381 1.00 0.00 C ATOM 1157 CG2 ILE A 72 14.214 -15.410 -5.086 1.00 0.00 C ATOM 1158 CD1 ILE A 72 11.497 -14.247 -5.281 1.00 0.00 C ATOM 0 H ILE A 72 13.410 -13.633 -8.651 1.00 0.00 H new ATOM 0 HA ILE A 72 15.574 -14.849 -7.058 1.00 0.00 H new ATOM 0 HB ILE A 72 13.016 -16.147 -6.689 1.00 0.00 H new ATOM 0 HG12 ILE A 72 13.050 -13.143 -6.239 1.00 0.00 H new ATOM 0 HG13 ILE A 72 12.007 -14.022 -7.340 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.457 -15.606 -4.327 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.905 -16.251 -5.135 1.00 0.00 H new ATOM 0 HG23 ILE A 72 14.762 -14.504 -4.826 1.00 0.00 H new ATOM 0 HD11 ILE A 72 10.807 -13.403 -5.300 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.942 -15.173 -5.433 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.002 -14.281 -4.315 1.00 0.00 H new ATOM 1170 N MET A 73 15.311 -17.185 -8.128 1.00 0.00 N ATOM 1171 CA MET A 73 15.410 -18.370 -8.972 1.00 0.00 C ATOM 1172 C MET A 73 14.445 -19.453 -8.502 1.00 0.00 C ATOM 1173 O MET A 73 14.258 -19.653 -7.302 1.00 0.00 O ATOM 1174 CB MET A 73 16.842 -18.908 -8.967 1.00 0.00 C ATOM 1175 CG MET A 73 17.677 -18.424 -10.141 1.00 0.00 C ATOM 1176 SD MET A 73 19.220 -19.341 -10.320 1.00 0.00 S ATOM 1177 CE MET A 73 18.902 -20.245 -11.833 1.00 0.00 C ATOM 0 H MET A 73 15.812 -17.255 -7.242 1.00 0.00 H new ATOM 0 HA MET A 73 15.141 -18.085 -9.989 1.00 0.00 H new ATOM 0 HB2 MET A 73 17.330 -18.612 -8.038 1.00 0.00 H new ATOM 0 HB3 MET A 73 16.812 -19.998 -8.978 1.00 0.00 H new ATOM 0 HG2 MET A 73 17.095 -18.516 -11.058 1.00 0.00 H new ATOM 0 HG3 MET A 73 17.901 -17.365 -10.011 1.00 0.00 H new ATOM 0 HE1 MET A 73 19.767 -20.861 -12.078 1.00 0.00 H new ATOM 0 HE2 MET A 73 18.029 -20.883 -11.699 1.00 0.00 H new ATOM 0 HE3 MET A 73 18.716 -19.542 -12.645 1.00 0.00 H new ATOM 1187 N MET A 74 13.834 -20.150 -9.455 1.00 0.00 N ATOM 1188 CA MET A 74 12.889 -21.214 -9.138 1.00 0.00 C ATOM 1189 C MET A 74 13.531 -22.585 -9.324 1.00 0.00 C ATOM 1190 O MET A 74 13.910 -22.957 -10.434 1.00 0.00 O ATOM 1191 CB MET A 74 11.643 -21.098 -10.017 1.00 0.00 C ATOM 1192 CG MET A 74 10.567 -20.198 -9.431 1.00 0.00 C ATOM 1193 SD MET A 74 9.035 -20.239 -10.381 1.00 0.00 S ATOM 1194 CE MET A 74 7.953 -21.100 -9.243 1.00 0.00 C ATOM 0 H MET A 74 13.977 -19.997 -10.453 1.00 0.00 H new ATOM 0 HA MET A 74 12.598 -21.107 -8.093 1.00 0.00 H new ATOM 0 HB2 MET A 74 11.933 -20.714 -10.995 1.00 0.00 H new ATOM 0 HB3 MET A 74 11.226 -22.093 -10.176 1.00 0.00 H new ATOM 0 HG2 MET A 74 10.362 -20.504 -8.405 1.00 0.00 H new ATOM 0 HG3 MET A 74 10.938 -19.174 -9.391 1.00 0.00 H new ATOM 0 HE1 MET A 74 6.914 -20.901 -9.507 1.00 0.00 H new ATOM 0 HE2 MET A 74 8.143 -22.172 -9.301 1.00 0.00 H new ATOM 0 HE3 MET A 74 8.142 -20.752 -8.227 1.00 0.00 H new ATOM 1204 N MET A 75 13.649 -23.331 -8.230 1.00 0.00 N ATOM 1205 CA MET A 75 14.245 -24.662 -8.275 1.00 0.00 C ATOM 1206 C MET A 75 13.190 -25.738 -8.036 1.00 0.00 C ATOM 1207 O MET A 75 12.677 -25.882 -6.927 1.00 0.00 O ATOM 1208 CB MET A 75 15.358 -24.781 -7.231 1.00 0.00 C ATOM 1209 CG MET A 75 16.326 -23.609 -7.239 1.00 0.00 C ATOM 1210 SD MET A 75 18.028 -24.112 -6.921 1.00 0.00 S ATOM 1211 CE MET A 75 17.870 -24.827 -5.286 1.00 0.00 C ATOM 0 H MET A 75 13.341 -23.037 -7.303 1.00 0.00 H new ATOM 0 HA MET A 75 14.671 -24.810 -9.268 1.00 0.00 H new ATOM 0 HB2 MET A 75 14.909 -24.864 -6.241 1.00 0.00 H new ATOM 0 HB3 MET A 75 15.914 -25.702 -7.408 1.00 0.00 H new ATOM 0 HG2 MET A 75 16.274 -23.107 -8.205 1.00 0.00 H new ATOM 0 HG3 MET A 75 16.019 -22.884 -6.486 1.00 0.00 H new ATOM 0 HE1 MET A 75 18.860 -25.055 -4.891 1.00 0.00 H new ATOM 0 HE2 MET A 75 17.371 -24.118 -4.626 1.00 0.00 H new ATOM 0 HE3 MET A 75 17.283 -25.743 -5.345 1.00 0.00 H new ATOM 1221 N GLY A 76 12.871 -26.491 -9.084 1.00 0.00 N ATOM 1222 CA GLY A 76 11.879 -27.544 -8.966 1.00 0.00 C ATOM 1223 C GLY A 76 11.313 -27.959 -10.310 1.00 0.00 C ATOM 1224 O GLY A 76 11.986 -27.854 -11.336 1.00 0.00 O ATOM 0 H GLY A 76 13.282 -26.391 -10.012 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.329 -28.410 -8.481 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.067 -27.204 -8.322 1.00 0.00 H new ATOM 1228 N THR A 77 10.071 -28.434 -10.305 1.00 0.00 N ATOM 1229 CA THR A 77 9.415 -28.870 -11.532 1.00 0.00 C ATOM 1230 C THR A 77 7.978 -28.366 -11.595 1.00 0.00 C ATOM 1231 O THR A 77 7.370 -28.063 -10.568 1.00 0.00 O ATOM 1232 CB THR A 77 9.415 -30.405 -11.654 1.00 0.00 C ATOM 1233 OG1 THR A 77 9.159 -30.789 -13.010 1.00 0.00 O ATOM 1234 CG2 THR A 77 8.365 -31.020 -10.741 1.00 0.00 C ATOM 0 H THR A 77 9.499 -28.526 -9.465 1.00 0.00 H new ATOM 0 HA THR A 77 9.982 -28.448 -12.361 1.00 0.00 H new ATOM 0 HB THR A 77 10.396 -30.771 -11.352 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.162 -31.767 -13.079 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.384 -32.105 -10.844 1.00 0.00 H new ATOM 0 HG22 THR A 77 8.579 -30.750 -9.707 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.379 -30.646 -11.017 1.00 0.00 H new