USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 748 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 59 HIS : no HD1:sc= -12.4! C(o=-17!,f=-15!) USER MOD Set 1.2: A 61 TYR OH : rot 30:sc= -4.64! USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -77:sc= 0.497 USER MOD Single : A 9 TYR OH : rot 177:sc= 1.22 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.132 K(o=-0.13,f=-2.1!) USER MOD Single : A 20 SER OG : rot 145:sc= -0.661 USER MOD Single : A 23 LYS NZ :NH3+ -139:sc= 0.92 (180deg=-0.0846) USER MOD Single : A 24 GLN : amide:sc= -2.08 K(o=-2.1,f=-2.9) USER MOD Single : A 26 THR OG1 : rot 154:sc= -0.782 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.168 K(o=-0.17,f=-2.6!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -126:sc= -0.491 (180deg=-1.37) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.83! K(o=-1.8!,f=-0.8) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0414 X(o=-0.041,f=-0.065) USER MOD Single : A 54 HIS : no HD1:sc= -0.0079 X(o=-0.0079,f=-0.12) USER MOD Single : A 55 ASN : amide:sc= -0.166 K(o=-0.17,f=-1.8!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.154 K(o=-0.15,f=-2.1!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -147:sc= -11.2! USER MOD Single : A 81 GLN : amide:sc= -0.562 K(o=-0.56,f=-2!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.197 K(o=-0.2,f=-2!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.894 22.360 -2.237 1.00 0.00 N ATOM 2 CA ALA A 1 -10.340 22.163 -2.540 1.00 0.00 C ATOM 3 C ALA A 1 -10.698 20.683 -2.382 1.00 0.00 C ATOM 4 O ALA A 1 -11.647 20.334 -1.710 1.00 0.00 O ATOM 5 CB ALA A 1 -10.625 22.607 -3.975 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.651 23.365 -2.344 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.700 22.059 -1.261 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.321 21.793 -2.894 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.940 22.757 -1.850 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -11.682 22.463 -4.197 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.371 23.661 -4.087 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.025 22.014 -4.665 1.00 0.00 H new ATOM 13 N GLU A 2 -9.944 19.811 -2.995 1.00 0.00 N ATOM 14 CA GLU A 2 -10.243 18.356 -2.877 1.00 0.00 C ATOM 15 C GLU A 2 -9.314 17.731 -1.833 1.00 0.00 C ATOM 16 O GLU A 2 -8.113 17.914 -1.868 1.00 0.00 O ATOM 17 CB GLU A 2 -10.021 17.677 -4.231 1.00 0.00 C ATOM 18 CG GLU A 2 -11.162 16.695 -4.505 1.00 0.00 C ATOM 19 CD GLU A 2 -11.013 16.121 -5.916 1.00 0.00 C ATOM 20 OE1 GLU A 2 -9.959 15.580 -6.206 1.00 0.00 O ATOM 21 OE2 GLU A 2 -11.957 16.233 -6.683 1.00 0.00 O ATOM 0 H GLU A 2 -9.135 20.043 -3.571 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.280 18.220 -2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -9.974 18.426 -5.022 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -9.066 17.151 -4.233 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.148 15.890 -3.770 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -12.123 17.200 -4.406 1.00 0.00 H new ATOM 28 N VAL A 3 -9.860 16.997 -0.902 1.00 0.00 N ATOM 29 CA VAL A 3 -9.009 16.363 0.144 1.00 0.00 C ATOM 30 C VAL A 3 -7.890 15.560 -0.520 1.00 0.00 C ATOM 31 O VAL A 3 -8.117 14.500 -1.070 1.00 0.00 O ATOM 32 CB VAL A 3 -9.866 15.430 0.998 1.00 0.00 C ATOM 33 CG1 VAL A 3 -10.860 16.256 1.815 1.00 0.00 C ATOM 34 CG2 VAL A 3 -10.632 14.468 0.087 1.00 0.00 C ATOM 0 H VAL A 3 -10.859 16.809 -0.821 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.572 17.138 0.774 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.225 14.862 1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -11.472 15.591 2.424 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -10.316 16.944 2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -11.502 16.823 1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -11.244 13.801 0.694 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -11.273 15.037 -0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.925 13.879 -0.497 1.00 0.00 H new ATOM 44 N ARG A 4 -6.684 16.052 -0.470 1.00 0.00 N ATOM 45 CA ARG A 4 -5.550 15.316 -1.093 1.00 0.00 C ATOM 46 C ARG A 4 -5.398 13.935 -0.442 1.00 0.00 C ATOM 47 O ARG A 4 -5.318 12.938 -1.133 1.00 0.00 O ATOM 48 CB ARG A 4 -4.257 16.111 -0.909 1.00 0.00 C ATOM 49 CG ARG A 4 -3.482 16.132 -2.229 1.00 0.00 C ATOM 50 CD ARG A 4 -2.903 17.528 -2.461 1.00 0.00 C ATOM 51 NE ARG A 4 -2.457 17.649 -3.878 1.00 0.00 N ATOM 52 CZ ARG A 4 -3.208 17.187 -4.841 1.00 0.00 C ATOM 53 NH1 ARG A 4 -4.219 17.888 -5.274 1.00 0.00 N ATOM 54 NH2 ARG A 4 -2.946 16.023 -5.369 1.00 0.00 N ATOM 0 H ARG A 4 -6.434 16.934 -0.023 1.00 0.00 H new ATOM 0 HA ARG A 4 -5.752 15.190 -2.157 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.485 17.129 -0.592 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.649 15.661 -0.124 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.680 15.394 -2.203 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.140 15.859 -3.053 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.653 18.287 -2.238 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.064 17.702 -1.788 1.00 0.00 H new ATOM 0 HE ARG A 4 -1.565 18.093 -4.096 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.423 18.798 -4.860 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.805 17.527 -6.026 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -2.155 15.475 -5.029 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.532 15.661 -6.121 1.00 0.00 H new ATOM 68 N PRO A 5 -5.358 13.915 0.867 1.00 0.00 N ATOM 69 CA PRO A 5 -5.211 12.664 1.632 1.00 0.00 C ATOM 70 C PRO A 5 -6.550 11.916 1.694 1.00 0.00 C ATOM 71 O PRO A 5 -7.537 12.462 2.144 1.00 0.00 O ATOM 72 CB PRO A 5 -4.785 13.140 3.024 1.00 0.00 C ATOM 73 CG PRO A 5 -5.251 14.611 3.143 1.00 0.00 C ATOM 74 CD PRO A 5 -5.458 15.126 1.707 1.00 0.00 C ATOM 0 HA PRO A 5 -4.496 11.971 1.189 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -5.239 12.525 3.801 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -3.705 13.063 3.147 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -6.176 14.679 3.716 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.507 15.212 3.666 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.428 15.610 1.594 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.701 15.862 1.435 1.00 0.00 H new ATOM 82 N PRO A 6 -6.544 10.688 1.237 1.00 0.00 N ATOM 83 CA PRO A 6 -7.750 9.843 1.226 1.00 0.00 C ATOM 84 C PRO A 6 -8.016 9.265 2.620 1.00 0.00 C ATOM 85 O PRO A 6 -7.540 9.773 3.616 1.00 0.00 O ATOM 86 CB PRO A 6 -7.398 8.730 0.235 1.00 0.00 C ATOM 87 CG PRO A 6 -5.854 8.672 0.173 1.00 0.00 C ATOM 88 CD PRO A 6 -5.341 10.028 0.690 1.00 0.00 C ATOM 0 HA PRO A 6 -8.651 10.389 0.948 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.810 7.775 0.562 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.819 8.939 -0.749 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -5.472 7.855 0.785 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -5.514 8.492 -0.847 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -4.576 9.898 1.455 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -4.894 10.616 -0.111 1.00 0.00 H new ATOM 96 N PHE A 7 -8.776 8.206 2.696 1.00 0.00 N ATOM 97 CA PHE A 7 -9.074 7.594 4.023 1.00 0.00 C ATOM 98 C PHE A 7 -8.975 6.071 3.912 1.00 0.00 C ATOM 99 O PHE A 7 -8.505 5.403 4.812 1.00 0.00 O ATOM 100 CB PHE A 7 -10.489 7.983 4.465 1.00 0.00 C ATOM 101 CG PHE A 7 -11.369 8.178 3.253 1.00 0.00 C ATOM 102 CD1 PHE A 7 -11.393 9.415 2.598 1.00 0.00 C ATOM 103 CD2 PHE A 7 -12.161 7.123 2.784 1.00 0.00 C ATOM 104 CE1 PHE A 7 -12.208 9.597 1.475 1.00 0.00 C ATOM 105 CE2 PHE A 7 -12.976 7.304 1.661 1.00 0.00 C ATOM 106 CZ PHE A 7 -13.000 8.541 1.007 1.00 0.00 C ATOM 0 H PHE A 7 -9.203 7.738 1.897 1.00 0.00 H new ATOM 0 HA PHE A 7 -8.355 7.955 4.758 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -10.906 7.207 5.107 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -10.457 8.900 5.054 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -10.782 10.229 2.959 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -12.143 6.169 3.289 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -12.226 10.551 0.970 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -13.586 6.490 1.299 1.00 0.00 H new ATOM 0 HZ PHE A 7 -13.630 8.681 0.141 1.00 0.00 H new ATOM 116 N THR A 8 -9.415 5.516 2.816 1.00 0.00 N ATOM 117 CA THR A 8 -9.346 4.038 2.648 1.00 0.00 C ATOM 118 C THR A 8 -7.962 3.650 2.123 1.00 0.00 C ATOM 119 O THR A 8 -7.800 3.299 0.971 1.00 0.00 O ATOM 120 CB THR A 8 -10.416 3.589 1.650 1.00 0.00 C ATOM 121 OG1 THR A 8 -10.819 4.699 0.860 1.00 0.00 O ATOM 122 CG2 THR A 8 -11.622 3.033 2.406 1.00 0.00 C ATOM 0 H THR A 8 -9.820 6.023 2.029 1.00 0.00 H new ATOM 0 HA THR A 8 -9.519 3.553 3.609 1.00 0.00 H new ATOM 0 HB THR A 8 -10.007 2.812 1.004 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.427 5.266 1.379 1.00 0.00 H new ATOM 0 HG21 THR A 8 -12.383 2.714 1.693 1.00 0.00 H new ATOM 0 HG22 THR A 8 -11.311 2.181 3.011 1.00 0.00 H new ATOM 0 HG23 THR A 8 -12.034 3.807 3.054 1.00 0.00 H new ATOM 130 N TYR A 9 -6.962 3.710 2.961 1.00 0.00 N ATOM 131 CA TYR A 9 -5.589 3.344 2.511 1.00 0.00 C ATOM 132 C TYR A 9 -5.566 1.875 2.083 1.00 0.00 C ATOM 133 O TYR A 9 -4.869 1.500 1.161 1.00 0.00 O ATOM 134 CB TYR A 9 -4.602 3.552 3.664 1.00 0.00 C ATOM 135 CG TYR A 9 -4.189 5.004 3.723 1.00 0.00 C ATOM 136 CD1 TYR A 9 -5.083 5.968 4.205 1.00 0.00 C ATOM 137 CD2 TYR A 9 -2.911 5.386 3.299 1.00 0.00 C ATOM 138 CE1 TYR A 9 -4.699 7.313 4.261 1.00 0.00 C ATOM 139 CE2 TYR A 9 -2.527 6.731 3.355 1.00 0.00 C ATOM 140 CZ TYR A 9 -3.421 7.694 3.836 1.00 0.00 C ATOM 141 OH TYR A 9 -3.042 9.020 3.891 1.00 0.00 O ATOM 0 H TYR A 9 -7.037 3.997 3.937 1.00 0.00 H new ATOM 0 HA TYR A 9 -5.304 3.974 1.668 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.061 3.256 4.607 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.725 2.920 3.524 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.069 5.674 4.534 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -2.221 4.643 2.928 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.389 8.057 4.632 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.541 7.025 3.027 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.109 9.106 3.605 1.00 0.00 H new ATOM 151 N ALA A 10 -6.318 1.041 2.746 1.00 0.00 N ATOM 152 CA ALA A 10 -6.337 -0.404 2.381 1.00 0.00 C ATOM 153 C ALA A 10 -6.686 -0.560 0.899 1.00 0.00 C ATOM 154 O ALA A 10 -5.902 -1.058 0.115 1.00 0.00 O ATOM 155 CB ALA A 10 -7.385 -1.128 3.228 1.00 0.00 C ATOM 0 H ALA A 10 -6.922 1.298 3.527 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.353 -0.835 2.566 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.400 -2.185 2.962 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.136 -1.023 4.284 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.367 -0.693 3.042 1.00 0.00 H new ATOM 161 N SER A 11 -7.859 -0.147 0.508 1.00 0.00 N ATOM 162 CA SER A 11 -8.260 -0.281 -0.922 1.00 0.00 C ATOM 163 C SER A 11 -7.287 0.496 -1.812 1.00 0.00 C ATOM 164 O SER A 11 -6.865 0.021 -2.847 1.00 0.00 O ATOM 165 CB SER A 11 -9.673 0.275 -1.107 1.00 0.00 C ATOM 166 OG SER A 11 -10.593 -0.537 -0.391 1.00 0.00 O ATOM 0 H SER A 11 -8.559 0.278 1.117 1.00 0.00 H new ATOM 0 HA SER A 11 -8.239 -1.334 -1.203 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.722 1.303 -0.748 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.933 0.294 -2.165 1.00 0.00 H new ATOM 0 HG SER A 11 -11.500 -0.183 -0.506 1.00 0.00 H new ATOM 172 N LEU A 12 -6.931 1.689 -1.422 1.00 0.00 N ATOM 173 CA LEU A 12 -5.990 2.494 -2.253 1.00 0.00 C ATOM 174 C LEU A 12 -4.700 1.706 -2.490 1.00 0.00 C ATOM 175 O LEU A 12 -4.199 1.635 -3.595 1.00 0.00 O ATOM 176 CB LEU A 12 -5.662 3.802 -1.527 1.00 0.00 C ATOM 177 CG LEU A 12 -5.435 4.912 -2.554 1.00 0.00 C ATOM 178 CD1 LEU A 12 -6.771 5.300 -3.191 1.00 0.00 C ATOM 179 CD2 LEU A 12 -4.829 6.132 -1.859 1.00 0.00 C ATOM 0 H LEU A 12 -7.250 2.141 -0.565 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.457 2.714 -3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.478 4.073 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.772 3.675 -0.910 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.754 4.557 -3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.609 6.091 -3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.204 4.431 -3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.453 5.655 -2.418 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.667 6.924 -2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.511 6.486 -1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.877 5.857 -1.405 1.00 0.00 H new ATOM 191 N ILE A 13 -4.153 1.118 -1.462 1.00 0.00 N ATOM 192 CA ILE A 13 -2.891 0.342 -1.628 1.00 0.00 C ATOM 193 C ILE A 13 -3.105 -0.791 -2.636 1.00 0.00 C ATOM 194 O ILE A 13 -2.317 -0.984 -3.540 1.00 0.00 O ATOM 195 CB ILE A 13 -2.479 -0.246 -0.281 1.00 0.00 C ATOM 196 CG1 ILE A 13 -2.154 0.891 0.689 1.00 0.00 C ATOM 197 CG2 ILE A 13 -1.243 -1.128 -0.465 1.00 0.00 C ATOM 198 CD1 ILE A 13 -2.639 0.518 2.092 1.00 0.00 C ATOM 0 H ILE A 13 -4.526 1.141 -0.513 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.107 1.004 -1.995 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.296 -0.846 0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.080 1.077 0.701 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.634 1.813 0.360 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.949 -1.548 0.497 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.473 -1.937 -1.159 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.425 -0.529 -0.865 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.408 1.328 2.784 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.716 0.354 2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.139 -0.393 2.420 1.00 0.00 H new ATOM 210 N ARG A 14 -4.164 -1.541 -2.495 1.00 0.00 N ATOM 211 CA ARG A 14 -4.415 -2.654 -3.455 1.00 0.00 C ATOM 212 C ARG A 14 -4.359 -2.095 -4.881 1.00 0.00 C ATOM 213 O ARG A 14 -3.760 -2.674 -5.765 1.00 0.00 O ATOM 214 CB ARG A 14 -5.803 -3.245 -3.196 1.00 0.00 C ATOM 215 CG ARG A 14 -5.690 -4.761 -3.025 1.00 0.00 C ATOM 216 CD ARG A 14 -7.062 -5.404 -3.239 1.00 0.00 C ATOM 217 NE ARG A 14 -8.129 -4.472 -2.775 1.00 0.00 N ATOM 218 CZ ARG A 14 -9.297 -4.473 -3.359 1.00 0.00 C ATOM 219 NH1 ARG A 14 -9.838 -5.600 -3.734 1.00 0.00 N ATOM 220 NH2 ARG A 14 -9.925 -3.348 -3.567 1.00 0.00 N ATOM 0 H ARG A 14 -4.863 -1.432 -1.760 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.662 -3.432 -3.329 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.238 -2.799 -2.302 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.470 -3.011 -4.026 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.972 -5.165 -3.739 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.317 -4.998 -2.029 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -7.204 -5.639 -4.294 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.123 -6.345 -2.692 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.947 -3.833 -2.001 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.348 -6.480 -3.571 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.750 -5.601 -4.190 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.504 -2.467 -3.273 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.837 -3.350 -4.023 1.00 0.00 H new ATOM 234 N GLN A 15 -4.979 -0.965 -5.104 1.00 0.00 N ATOM 235 CA GLN A 15 -4.964 -0.354 -6.462 1.00 0.00 C ATOM 236 C GLN A 15 -3.519 -0.104 -6.894 1.00 0.00 C ATOM 237 O GLN A 15 -3.059 -0.629 -7.889 1.00 0.00 O ATOM 238 CB GLN A 15 -5.724 0.975 -6.433 1.00 0.00 C ATOM 239 CG GLN A 15 -5.588 1.676 -7.786 1.00 0.00 C ATOM 240 CD GLN A 15 -6.568 1.058 -8.785 1.00 0.00 C ATOM 241 OE1 GLN A 15 -7.544 0.446 -8.398 1.00 0.00 O ATOM 242 NE2 GLN A 15 -6.347 1.190 -10.064 1.00 0.00 N ATOM 0 H GLN A 15 -5.496 -0.439 -4.400 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.443 -1.032 -7.169 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.776 0.799 -6.208 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.331 1.613 -5.641 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.788 2.742 -7.676 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.567 1.580 -8.156 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.528 1.704 -10.390 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.993 0.780 -10.738 1.00 0.00 H new ATOM 251 N ALA A 16 -2.791 0.691 -6.153 1.00 0.00 N ATOM 252 CA ALA A 16 -1.377 0.962 -6.529 1.00 0.00 C ATOM 253 C ALA A 16 -0.662 -0.373 -6.733 1.00 0.00 C ATOM 254 O ALA A 16 0.067 -0.564 -7.687 1.00 0.00 O ATOM 255 CB ALA A 16 -0.691 1.748 -5.409 1.00 0.00 C ATOM 0 H ALA A 16 -3.115 1.161 -5.308 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.340 1.547 -7.448 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.345 1.946 -5.685 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.213 2.693 -5.255 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.716 1.166 -4.488 1.00 0.00 H new ATOM 261 N ILE A 17 -0.883 -1.307 -5.851 1.00 0.00 N ATOM 262 CA ILE A 17 -0.239 -2.640 -5.994 1.00 0.00 C ATOM 263 C ILE A 17 -0.765 -3.292 -7.281 1.00 0.00 C ATOM 264 O ILE A 17 -0.021 -3.863 -8.051 1.00 0.00 O ATOM 265 CB ILE A 17 -0.588 -3.490 -4.757 1.00 0.00 C ATOM 266 CG1 ILE A 17 0.544 -3.368 -3.734 1.00 0.00 C ATOM 267 CG2 ILE A 17 -0.765 -4.965 -5.135 1.00 0.00 C ATOM 268 CD1 ILE A 17 0.046 -3.827 -2.362 1.00 0.00 C ATOM 0 H ILE A 17 -1.485 -1.203 -5.034 1.00 0.00 H new ATOM 0 HA ILE A 17 0.846 -2.553 -6.060 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.525 -3.125 -4.337 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.395 -3.974 -4.045 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.890 -2.336 -3.680 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.011 -5.542 -4.244 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.571 -5.060 -5.862 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.161 -5.343 -5.568 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.853 -3.740 -1.634 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.792 -3.203 -2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.278 -4.866 -2.421 1.00 0.00 H new ATOM 280 N LEU A 18 -2.046 -3.201 -7.513 1.00 0.00 N ATOM 281 CA LEU A 18 -2.632 -3.803 -8.742 1.00 0.00 C ATOM 282 C LEU A 18 -1.993 -3.163 -9.978 1.00 0.00 C ATOM 283 O LEU A 18 -2.101 -3.671 -11.078 1.00 0.00 O ATOM 284 CB LEU A 18 -4.139 -3.541 -8.755 1.00 0.00 C ATOM 285 CG LEU A 18 -4.890 -4.850 -8.512 1.00 0.00 C ATOM 286 CD1 LEU A 18 -6.335 -4.541 -8.116 1.00 0.00 C ATOM 287 CD2 LEU A 18 -4.878 -5.689 -9.791 1.00 0.00 C ATOM 0 H LEU A 18 -2.714 -2.733 -6.901 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.444 -4.877 -8.753 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.398 -2.813 -7.986 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.435 -3.112 -9.712 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.405 -5.406 -7.710 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.872 -5.474 -7.942 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.343 -3.943 -7.205 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.821 -3.986 -8.918 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.413 -6.623 -9.619 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.364 -5.135 -10.594 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.848 -5.908 -10.073 1.00 0.00 H new ATOM 299 N GLU A 19 -1.333 -2.050 -9.808 1.00 0.00 N ATOM 300 CA GLU A 19 -0.691 -1.373 -10.971 1.00 0.00 C ATOM 301 C GLU A 19 0.328 -2.314 -11.619 1.00 0.00 C ATOM 302 O GLU A 19 0.746 -2.114 -12.742 1.00 0.00 O ATOM 303 CB GLU A 19 0.017 -0.104 -10.489 1.00 0.00 C ATOM 304 CG GLU A 19 0.772 0.539 -11.655 1.00 0.00 C ATOM 305 CD GLU A 19 1.583 1.731 -11.141 1.00 0.00 C ATOM 306 OE1 GLU A 19 1.012 2.803 -11.021 1.00 0.00 O ATOM 307 OE2 GLU A 19 2.761 1.554 -10.878 1.00 0.00 O ATOM 0 H GLU A 19 -1.210 -1.579 -8.912 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.453 -1.111 -11.705 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.711 0.598 -10.083 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.710 -0.346 -9.683 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.434 -0.191 -12.121 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.069 0.867 -12.421 1.00 0.00 H new ATOM 314 N SER A 20 0.728 -3.341 -10.920 1.00 0.00 N ATOM 315 CA SER A 20 1.717 -4.296 -11.495 1.00 0.00 C ATOM 316 C SER A 20 0.986 -5.558 -11.964 1.00 0.00 C ATOM 317 O SER A 20 -0.214 -5.666 -11.811 1.00 0.00 O ATOM 318 CB SER A 20 2.747 -4.658 -10.423 1.00 0.00 C ATOM 319 OG SER A 20 2.458 -5.952 -9.908 1.00 0.00 O ATOM 0 H SER A 20 0.412 -3.560 -9.975 1.00 0.00 H new ATOM 0 HA SER A 20 2.226 -3.840 -12.344 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.751 -4.639 -10.847 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.726 -3.922 -9.620 1.00 0.00 H new ATOM 0 HG SER A 20 3.296 -6.414 -9.696 1.00 0.00 H new ATOM 325 N PRO A 21 1.732 -6.480 -12.521 1.00 0.00 N ATOM 326 CA PRO A 21 1.177 -7.750 -13.020 1.00 0.00 C ATOM 327 C PRO A 21 0.896 -8.697 -11.851 1.00 0.00 C ATOM 328 O PRO A 21 -0.200 -9.200 -11.697 1.00 0.00 O ATOM 329 CB PRO A 21 2.285 -8.295 -13.926 1.00 0.00 C ATOM 330 CG PRO A 21 3.598 -7.617 -13.467 1.00 0.00 C ATOM 331 CD PRO A 21 3.193 -6.344 -12.700 1.00 0.00 C ATOM 0 HA PRO A 21 0.230 -7.634 -13.548 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.358 -9.379 -13.841 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.077 -8.070 -14.972 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.177 -8.286 -12.830 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.226 -7.370 -14.323 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.707 -6.276 -11.741 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.444 -5.444 -13.261 1.00 0.00 H new ATOM 339 N GLU A 22 1.874 -8.938 -11.020 1.00 0.00 N ATOM 340 CA GLU A 22 1.659 -9.840 -9.861 1.00 0.00 C ATOM 341 C GLU A 22 1.169 -9.016 -8.669 1.00 0.00 C ATOM 342 O GLU A 22 1.280 -9.421 -7.528 1.00 0.00 O ATOM 343 CB GLU A 22 2.974 -10.533 -9.500 1.00 0.00 C ATOM 344 CG GLU A 22 3.210 -11.708 -10.451 1.00 0.00 C ATOM 345 CD GLU A 22 3.007 -11.244 -11.895 1.00 0.00 C ATOM 346 OE1 GLU A 22 1.864 -11.130 -12.304 1.00 0.00 O ATOM 347 OE2 GLU A 22 3.999 -11.013 -12.568 1.00 0.00 O ATOM 0 H GLU A 22 2.813 -8.547 -11.097 1.00 0.00 H new ATOM 0 HA GLU A 22 0.915 -10.594 -10.116 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.800 -9.826 -9.567 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.940 -10.887 -8.470 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.220 -12.097 -10.321 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.522 -12.521 -10.219 1.00 0.00 H new ATOM 354 N LYS A 23 0.616 -7.863 -8.929 1.00 0.00 N ATOM 355 CA LYS A 23 0.111 -7.004 -7.837 1.00 0.00 C ATOM 356 C LYS A 23 1.107 -6.993 -6.681 1.00 0.00 C ATOM 357 O LYS A 23 0.726 -6.991 -5.526 1.00 0.00 O ATOM 358 CB LYS A 23 -1.232 -7.539 -7.352 1.00 0.00 C ATOM 359 CG LYS A 23 -1.933 -8.316 -8.469 1.00 0.00 C ATOM 360 CD LYS A 23 -3.382 -8.590 -8.062 1.00 0.00 C ATOM 361 CE LYS A 23 -3.418 -9.720 -7.031 1.00 0.00 C ATOM 362 NZ LYS A 23 -4.274 -9.316 -5.879 1.00 0.00 N ATOM 0 H LYS A 23 0.494 -7.480 -9.867 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.014 -5.987 -8.208 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.082 -8.187 -6.489 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.863 -6.713 -7.024 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.906 -7.745 -9.397 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.412 -9.255 -8.657 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.830 -7.688 -7.645 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.971 -8.863 -8.937 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.809 -10.630 -7.487 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.409 -9.944 -6.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.827 -9.621 -4.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.384 -8.282 -5.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.209 -9.763 -5.968 1.00 0.00 H new ATOM 376 N GLN A 24 2.379 -6.980 -6.980 1.00 0.00 N ATOM 377 CA GLN A 24 3.407 -6.960 -5.895 1.00 0.00 C ATOM 378 C GLN A 24 4.246 -5.707 -6.010 1.00 0.00 C ATOM 379 O GLN A 24 4.629 -5.301 -7.090 1.00 0.00 O ATOM 380 CB GLN A 24 4.338 -8.170 -6.003 1.00 0.00 C ATOM 381 CG GLN A 24 4.313 -8.736 -7.425 1.00 0.00 C ATOM 382 CD GLN A 24 5.259 -9.936 -7.519 1.00 0.00 C ATOM 383 OE1 GLN A 24 4.882 -11.048 -7.206 1.00 0.00 O ATOM 384 NE2 GLN A 24 6.481 -9.757 -7.940 1.00 0.00 N ATOM 0 H GLN A 24 2.752 -6.982 -7.929 1.00 0.00 H new ATOM 0 HA GLN A 24 2.886 -6.987 -4.938 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.355 -7.880 -5.738 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.031 -8.938 -5.293 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.299 -9.038 -7.689 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.612 -7.968 -8.138 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.798 -8.824 -8.203 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.119 -10.550 -8.006 1.00 0.00 H new ATOM 393 N LEU A 25 4.558 -5.089 -4.910 1.00 0.00 N ATOM 394 CA LEU A 25 5.387 -3.881 -5.001 1.00 0.00 C ATOM 395 C LEU A 25 6.125 -3.610 -3.692 1.00 0.00 C ATOM 396 O LEU A 25 5.609 -3.831 -2.620 1.00 0.00 O ATOM 397 CB LEU A 25 4.509 -2.687 -5.354 1.00 0.00 C ATOM 398 CG LEU A 25 4.264 -2.633 -6.866 1.00 0.00 C ATOM 399 CD1 LEU A 25 3.589 -1.308 -7.224 1.00 0.00 C ATOM 400 CD2 LEU A 25 5.595 -2.738 -7.615 1.00 0.00 C ATOM 0 H LEU A 25 4.276 -5.368 -3.970 1.00 0.00 H new ATOM 0 HA LEU A 25 6.133 -4.038 -5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.557 -2.759 -4.827 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.988 -1.765 -5.023 1.00 0.00 H new ATOM 0 HG LEU A 25 3.622 -3.466 -7.153 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.414 -1.268 -8.299 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.637 -1.231 -6.698 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.234 -0.480 -6.930 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.412 -2.699 -8.689 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.241 -1.909 -7.326 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.080 -3.681 -7.364 1.00 0.00 H new ATOM 412 N THR A 26 7.338 -3.136 -3.780 1.00 0.00 N ATOM 413 CA THR A 26 8.132 -2.854 -2.548 1.00 0.00 C ATOM 414 C THR A 26 7.602 -1.601 -1.848 1.00 0.00 C ATOM 415 O THR A 26 6.949 -0.768 -2.445 1.00 0.00 O ATOM 416 CB THR A 26 9.596 -2.636 -2.931 1.00 0.00 C ATOM 417 OG1 THR A 26 9.772 -1.295 -3.368 1.00 0.00 O ATOM 418 CG2 THR A 26 9.977 -3.595 -4.058 1.00 0.00 C ATOM 0 H THR A 26 7.817 -2.931 -4.657 1.00 0.00 H new ATOM 0 HA THR A 26 8.045 -3.702 -1.869 1.00 0.00 H new ATOM 0 HB THR A 26 10.232 -2.825 -2.066 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.701 -1.021 -3.218 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.021 -3.439 -4.331 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.839 -4.623 -3.723 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.344 -3.408 -4.925 1.00 0.00 H new ATOM 426 N LEU A 27 7.888 -1.465 -0.581 1.00 0.00 N ATOM 427 CA LEU A 27 7.418 -0.270 0.174 1.00 0.00 C ATOM 428 C LEU A 27 8.154 0.974 -0.326 1.00 0.00 C ATOM 429 O LEU A 27 7.550 1.974 -0.659 1.00 0.00 O ATOM 430 CB LEU A 27 7.707 -0.469 1.663 1.00 0.00 C ATOM 431 CG LEU A 27 6.701 0.331 2.492 1.00 0.00 C ATOM 432 CD1 LEU A 27 5.582 -0.598 2.969 1.00 0.00 C ATOM 433 CD2 LEU A 27 7.411 0.937 3.705 1.00 0.00 C ATOM 0 H LEU A 27 8.430 -2.134 -0.035 1.00 0.00 H new ATOM 0 HA LEU A 27 6.346 -0.141 0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.644 -1.527 1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.722 -0.146 1.893 1.00 0.00 H new ATOM 0 HG LEU A 27 6.277 1.128 1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.864 -0.029 3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.078 -1.033 2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.006 -1.394 3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.696 1.508 4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.833 0.139 4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.210 1.596 3.367 1.00 0.00 H new ATOM 445 N ASN A 28 9.458 0.918 -0.378 1.00 0.00 N ATOM 446 CA ASN A 28 10.240 2.096 -0.853 1.00 0.00 C ATOM 447 C ASN A 28 9.715 2.537 -2.220 1.00 0.00 C ATOM 448 O ASN A 28 9.449 3.701 -2.451 1.00 0.00 O ATOM 449 CB ASN A 28 11.716 1.708 -0.975 1.00 0.00 C ATOM 450 CG ASN A 28 12.445 2.053 0.325 1.00 0.00 C ATOM 451 OD1 ASN A 28 13.381 2.828 0.323 1.00 0.00 O ATOM 452 ND2 ASN A 28 12.054 1.506 1.443 1.00 0.00 N ATOM 0 H ASN A 28 10.016 0.107 -0.112 1.00 0.00 H new ATOM 0 HA ASN A 28 10.135 2.915 -0.142 1.00 0.00 H new ATOM 0 HB2 ASN A 28 11.806 0.642 -1.183 1.00 0.00 H new ATOM 0 HB3 ASN A 28 12.174 2.236 -1.812 1.00 0.00 H new ATOM 0 HD21 ASN A 28 12.534 1.729 2.315 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.268 0.855 1.445 1.00 0.00 H new ATOM 459 N GLU A 29 9.561 1.615 -3.129 1.00 0.00 N ATOM 460 CA GLU A 29 9.053 1.974 -4.482 1.00 0.00 C ATOM 461 C GLU A 29 7.622 2.503 -4.362 1.00 0.00 C ATOM 462 O GLU A 29 7.232 3.424 -5.051 1.00 0.00 O ATOM 463 CB GLU A 29 9.070 0.730 -5.373 1.00 0.00 C ATOM 464 CG GLU A 29 8.250 0.990 -6.641 1.00 0.00 C ATOM 465 CD GLU A 29 7.067 0.022 -6.695 1.00 0.00 C ATOM 466 OE1 GLU A 29 7.057 -0.917 -5.915 1.00 0.00 O ATOM 467 OE2 GLU A 29 6.189 0.235 -7.516 1.00 0.00 O ATOM 0 H GLU A 29 9.766 0.625 -2.992 1.00 0.00 H new ATOM 0 HA GLU A 29 9.687 2.744 -4.922 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.096 0.475 -5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.660 -0.122 -4.832 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.891 2.019 -6.649 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.877 0.864 -7.524 1.00 0.00 H new ATOM 474 N ILE A 30 6.838 1.932 -3.490 1.00 0.00 N ATOM 475 CA ILE A 30 5.436 2.408 -3.327 1.00 0.00 C ATOM 476 C ILE A 30 5.450 3.841 -2.794 1.00 0.00 C ATOM 477 O ILE A 30 4.676 4.678 -3.215 1.00 0.00 O ATOM 478 CB ILE A 30 4.698 1.495 -2.343 1.00 0.00 C ATOM 479 CG1 ILE A 30 4.370 0.167 -3.032 1.00 0.00 C ATOM 480 CG2 ILE A 30 3.400 2.167 -1.889 1.00 0.00 C ATOM 481 CD1 ILE A 30 3.244 0.377 -4.046 1.00 0.00 C ATOM 0 H ILE A 30 7.107 1.157 -2.884 1.00 0.00 H new ATOM 0 HA ILE A 30 4.925 2.384 -4.289 1.00 0.00 H new ATOM 0 HB ILE A 30 5.331 1.312 -1.475 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.256 -0.222 -3.533 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.072 -0.574 -2.291 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.878 1.514 -1.189 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.632 3.113 -1.399 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.764 2.353 -2.755 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.013 -0.570 -4.534 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.356 0.747 -3.533 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.559 1.104 -4.794 1.00 0.00 H new ATOM 493 N TYR A 31 6.328 4.134 -1.874 1.00 0.00 N ATOM 494 CA TYR A 31 6.391 5.515 -1.321 1.00 0.00 C ATOM 495 C TYR A 31 6.586 6.507 -2.467 1.00 0.00 C ATOM 496 O TYR A 31 5.966 7.551 -2.509 1.00 0.00 O ATOM 497 CB TYR A 31 7.564 5.624 -0.343 1.00 0.00 C ATOM 498 CG TYR A 31 7.709 7.057 0.112 1.00 0.00 C ATOM 499 CD1 TYR A 31 6.574 7.862 0.271 1.00 0.00 C ATOM 500 CD2 TYR A 31 8.979 7.581 0.373 1.00 0.00 C ATOM 501 CE1 TYR A 31 6.710 9.190 0.691 1.00 0.00 C ATOM 502 CE2 TYR A 31 9.117 8.909 0.794 1.00 0.00 C ATOM 503 CZ TYR A 31 7.982 9.714 0.953 1.00 0.00 C ATOM 504 OH TYR A 31 8.118 11.023 1.367 1.00 0.00 O ATOM 0 H TYR A 31 7.003 3.477 -1.482 1.00 0.00 H new ATOM 0 HA TYR A 31 5.463 5.741 -0.795 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.397 4.974 0.516 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.484 5.289 -0.823 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.593 7.458 0.069 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.854 6.961 0.250 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.834 9.810 0.813 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.098 9.313 0.996 1.00 0.00 H new ATOM 0 HH TYR A 31 9.067 11.225 1.506 1.00 0.00 H new ATOM 514 N ASN A 32 7.439 6.189 -3.402 1.00 0.00 N ATOM 515 CA ASN A 32 7.666 7.115 -4.547 1.00 0.00 C ATOM 516 C ASN A 32 6.338 7.367 -5.264 1.00 0.00 C ATOM 517 O ASN A 32 5.981 8.491 -5.555 1.00 0.00 O ATOM 518 CB ASN A 32 8.665 6.489 -5.522 1.00 0.00 C ATOM 519 CG ASN A 32 9.231 7.574 -6.442 1.00 0.00 C ATOM 520 OD1 ASN A 32 9.158 8.746 -6.133 1.00 0.00 O ATOM 521 ND2 ASN A 32 9.795 7.229 -7.567 1.00 0.00 N ATOM 0 H ASN A 32 7.988 5.329 -3.422 1.00 0.00 H new ATOM 0 HA ASN A 32 8.067 8.060 -4.179 1.00 0.00 H new ATOM 0 HB2 ASN A 32 9.473 6.007 -4.972 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.176 5.715 -6.113 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.175 7.944 -8.187 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.856 6.244 -7.826 1.00 0.00 H new ATOM 528 N TRP A 33 5.602 6.327 -5.549 1.00 0.00 N ATOM 529 CA TRP A 33 4.299 6.504 -6.242 1.00 0.00 C ATOM 530 C TRP A 33 3.342 7.282 -5.335 1.00 0.00 C ATOM 531 O TRP A 33 2.714 8.236 -5.750 1.00 0.00 O ATOM 532 CB TRP A 33 3.704 5.128 -6.557 1.00 0.00 C ATOM 533 CG TRP A 33 2.370 5.293 -7.210 1.00 0.00 C ATOM 534 CD1 TRP A 33 2.155 5.322 -8.545 1.00 0.00 C ATOM 535 CD2 TRP A 33 1.064 5.447 -6.582 1.00 0.00 C ATOM 536 NE1 TRP A 33 0.802 5.486 -8.777 1.00 0.00 N ATOM 537 CE2 TRP A 33 0.086 5.568 -7.599 1.00 0.00 C ATOM 538 CE3 TRP A 33 0.635 5.495 -5.242 1.00 0.00 C ATOM 539 CZ2 TRP A 33 -1.266 5.729 -7.298 1.00 0.00 C ATOM 540 CZ3 TRP A 33 -0.726 5.656 -4.937 1.00 0.00 C ATOM 541 CH2 TRP A 33 -1.674 5.774 -5.962 1.00 0.00 C ATOM 0 H TRP A 33 5.849 5.362 -5.330 1.00 0.00 H new ATOM 0 HA TRP A 33 4.448 7.057 -7.169 1.00 0.00 H new ATOM 0 HB2 TRP A 33 4.374 4.573 -7.213 1.00 0.00 H new ATOM 0 HB3 TRP A 33 3.602 4.547 -5.640 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.916 5.232 -9.306 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.383 5.540 -9.706 1.00 0.00 H new ATOM 0 HE3 TRP A 33 1.357 5.407 -4.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -1.993 5.818 -8.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -1.044 5.689 -3.906 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -2.719 5.900 -5.720 1.00 0.00 H new ATOM 552 N PHE A 34 3.220 6.875 -4.101 1.00 0.00 N ATOM 553 CA PHE A 34 2.302 7.580 -3.161 1.00 0.00 C ATOM 554 C PHE A 34 2.550 9.094 -3.200 1.00 0.00 C ATOM 555 O PHE A 34 1.641 9.871 -3.412 1.00 0.00 O ATOM 556 CB PHE A 34 2.544 7.065 -1.741 1.00 0.00 C ATOM 557 CG PHE A 34 1.284 6.423 -1.211 1.00 0.00 C ATOM 558 CD1 PHE A 34 0.783 5.264 -1.815 1.00 0.00 C ATOM 559 CD2 PHE A 34 0.619 6.985 -0.115 1.00 0.00 C ATOM 560 CE1 PHE A 34 -0.384 4.666 -1.321 1.00 0.00 C ATOM 561 CE2 PHE A 34 -0.548 6.388 0.378 1.00 0.00 C ATOM 562 CZ PHE A 34 -1.049 5.229 -0.225 1.00 0.00 C ATOM 0 H PHE A 34 3.719 6.080 -3.701 1.00 0.00 H new ATOM 0 HA PHE A 34 1.272 7.385 -3.461 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.360 6.342 -1.740 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.846 7.887 -1.092 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.296 4.831 -2.661 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.006 7.879 0.351 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.770 3.771 -1.786 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.061 6.822 1.223 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.949 4.769 0.155 1.00 0.00 H new ATOM 572 N THR A 35 3.764 9.523 -2.972 1.00 0.00 N ATOM 573 CA THR A 35 4.048 10.991 -2.971 1.00 0.00 C ATOM 574 C THR A 35 4.052 11.545 -4.401 1.00 0.00 C ATOM 575 O THR A 35 3.683 12.678 -4.632 1.00 0.00 O ATOM 576 CB THR A 35 5.407 11.252 -2.313 1.00 0.00 C ATOM 577 OG1 THR A 35 5.680 12.647 -2.331 1.00 0.00 O ATOM 578 CG2 THR A 35 6.506 10.508 -3.072 1.00 0.00 C ATOM 0 H THR A 35 4.569 8.924 -2.787 1.00 0.00 H new ATOM 0 HA THR A 35 3.264 11.496 -2.406 1.00 0.00 H new ATOM 0 HB THR A 35 5.381 10.896 -1.283 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.548 12.816 -1.909 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.469 10.699 -2.598 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.299 9.438 -3.056 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.535 10.856 -4.105 1.00 0.00 H new ATOM 586 N ARG A 36 4.467 10.766 -5.362 1.00 0.00 N ATOM 587 CA ARG A 36 4.489 11.268 -6.764 1.00 0.00 C ATOM 588 C ARG A 36 3.065 11.600 -7.213 1.00 0.00 C ATOM 589 O ARG A 36 2.824 12.605 -7.850 1.00 0.00 O ATOM 590 CB ARG A 36 5.078 10.197 -7.683 1.00 0.00 C ATOM 591 CG ARG A 36 6.596 10.368 -7.753 1.00 0.00 C ATOM 592 CD ARG A 36 7.016 10.616 -9.203 1.00 0.00 C ATOM 593 NE ARG A 36 6.727 9.403 -10.019 1.00 0.00 N ATOM 594 CZ ARG A 36 7.427 9.157 -11.092 1.00 0.00 C ATOM 595 NH1 ARG A 36 7.641 10.106 -11.962 1.00 0.00 N ATOM 596 NH2 ARG A 36 7.911 7.963 -11.297 1.00 0.00 N ATOM 0 H ARG A 36 4.791 9.807 -5.237 1.00 0.00 H new ATOM 0 HA ARG A 36 5.103 12.167 -6.815 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.830 9.204 -7.309 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.645 10.279 -8.680 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.908 11.203 -7.125 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.091 9.477 -7.367 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.479 11.475 -9.606 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.079 10.854 -9.249 1.00 0.00 H new ATOM 0 HE ARG A 36 5.982 8.765 -9.739 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.261 11.039 -11.803 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.188 9.915 -12.801 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.742 7.221 -10.618 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.458 7.772 -12.136 1.00 0.00 H new ATOM 610 N MET A 37 2.119 10.764 -6.886 1.00 0.00 N ATOM 611 CA MET A 37 0.713 11.036 -7.294 1.00 0.00 C ATOM 612 C MET A 37 0.147 12.165 -6.433 1.00 0.00 C ATOM 613 O MET A 37 -0.644 12.969 -6.884 1.00 0.00 O ATOM 614 CB MET A 37 -0.130 9.775 -7.095 1.00 0.00 C ATOM 615 CG MET A 37 0.302 8.710 -8.105 1.00 0.00 C ATOM 616 SD MET A 37 0.107 9.357 -9.784 1.00 0.00 S ATOM 617 CE MET A 37 1.861 9.648 -10.122 1.00 0.00 C ATOM 0 H MET A 37 2.259 9.905 -6.354 1.00 0.00 H new ATOM 0 HA MET A 37 0.688 11.327 -8.344 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.008 9.399 -6.079 1.00 0.00 H new ATOM 0 HB3 MET A 37 -1.187 10.007 -7.224 1.00 0.00 H new ATOM 0 HG2 MET A 37 1.340 8.428 -7.931 1.00 0.00 H new ATOM 0 HG3 MET A 37 -0.298 7.809 -7.979 1.00 0.00 H new ATOM 0 HE1 MET A 37 2.004 10.682 -10.435 1.00 0.00 H new ATOM 0 HE2 MET A 37 2.442 9.459 -9.219 1.00 0.00 H new ATOM 0 HE3 MET A 37 2.195 8.979 -10.915 1.00 0.00 H new ATOM 627 N PHE A 38 0.550 12.233 -5.195 1.00 0.00 N ATOM 628 CA PHE A 38 0.040 13.311 -4.304 1.00 0.00 C ATOM 629 C PHE A 38 1.222 13.983 -3.593 1.00 0.00 C ATOM 630 O PHE A 38 1.982 13.323 -2.914 1.00 0.00 O ATOM 631 CB PHE A 38 -0.894 12.704 -3.253 1.00 0.00 C ATOM 632 CG PHE A 38 -1.809 11.696 -3.906 1.00 0.00 C ATOM 633 CD1 PHE A 38 -2.762 12.117 -4.843 1.00 0.00 C ATOM 634 CD2 PHE A 38 -1.707 10.342 -3.571 1.00 0.00 C ATOM 635 CE1 PHE A 38 -3.611 11.181 -5.444 1.00 0.00 C ATOM 636 CE2 PHE A 38 -2.556 9.405 -4.173 1.00 0.00 C ATOM 637 CZ PHE A 38 -3.509 9.825 -5.110 1.00 0.00 C ATOM 0 H PHE A 38 1.211 11.588 -4.762 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.502 14.047 -4.898 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.310 12.224 -2.468 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.482 13.489 -2.778 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.841 13.163 -5.101 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.973 10.019 -2.848 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.346 11.505 -6.166 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.476 8.359 -3.915 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.165 9.103 -5.574 1.00 0.00 H new ATOM 647 N PRO A 39 1.342 15.277 -3.763 1.00 0.00 N ATOM 648 CA PRO A 39 2.424 16.054 -3.138 1.00 0.00 C ATOM 649 C PRO A 39 2.115 16.281 -1.655 1.00 0.00 C ATOM 650 O PRO A 39 2.983 16.612 -0.872 1.00 0.00 O ATOM 651 CB PRO A 39 2.417 17.374 -3.912 1.00 0.00 C ATOM 652 CG PRO A 39 1.006 17.504 -4.536 1.00 0.00 C ATOM 653 CD PRO A 39 0.416 16.081 -4.587 1.00 0.00 C ATOM 0 HA PRO A 39 3.393 15.557 -3.177 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.628 18.214 -3.250 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.186 17.376 -4.685 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.377 18.163 -3.938 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.062 17.937 -5.535 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.598 16.055 -4.187 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.365 15.707 -5.610 1.00 0.00 H new ATOM 661 N TYR A 40 0.883 16.099 -1.267 1.00 0.00 N ATOM 662 CA TYR A 40 0.513 16.296 0.162 1.00 0.00 C ATOM 663 C TYR A 40 1.332 15.339 1.031 1.00 0.00 C ATOM 664 O TYR A 40 1.790 15.692 2.099 1.00 0.00 O ATOM 665 CB TYR A 40 -0.979 16.008 0.345 1.00 0.00 C ATOM 666 CG TYR A 40 -1.365 16.218 1.790 1.00 0.00 C ATOM 667 CD1 TYR A 40 -1.116 15.213 2.733 1.00 0.00 C ATOM 668 CD2 TYR A 40 -1.973 17.415 2.186 1.00 0.00 C ATOM 669 CE1 TYR A 40 -1.475 15.407 4.073 1.00 0.00 C ATOM 670 CE2 TYR A 40 -2.333 17.608 3.526 1.00 0.00 C ATOM 671 CZ TYR A 40 -2.083 16.604 4.470 1.00 0.00 C ATOM 672 OH TYR A 40 -2.436 16.794 5.790 1.00 0.00 O ATOM 0 H TYR A 40 0.116 15.822 -1.879 1.00 0.00 H new ATOM 0 HA TYR A 40 0.721 17.324 0.458 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.567 16.663 -0.297 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.201 14.984 0.044 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.648 14.289 2.427 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -2.165 18.190 1.458 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.283 14.632 4.801 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.803 18.531 3.831 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.845 17.678 5.895 1.00 0.00 H new ATOM 682 N PHE A 41 1.523 14.129 0.579 1.00 0.00 N ATOM 683 CA PHE A 41 2.315 13.151 1.378 1.00 0.00 C ATOM 684 C PHE A 41 3.734 13.688 1.572 1.00 0.00 C ATOM 685 O PHE A 41 4.452 13.267 2.457 1.00 0.00 O ATOM 686 CB PHE A 41 2.376 11.814 0.634 1.00 0.00 C ATOM 687 CG PHE A 41 1.186 10.965 1.017 1.00 0.00 C ATOM 688 CD1 PHE A 41 0.985 10.602 2.354 1.00 0.00 C ATOM 689 CD2 PHE A 41 0.286 10.539 0.034 1.00 0.00 C ATOM 690 CE1 PHE A 41 -0.115 9.813 2.708 1.00 0.00 C ATOM 691 CE2 PHE A 41 -0.815 9.750 0.387 1.00 0.00 C ATOM 692 CZ PHE A 41 -1.016 9.386 1.724 1.00 0.00 C ATOM 0 H PHE A 41 1.165 13.776 -0.308 1.00 0.00 H new ATOM 0 HA PHE A 41 1.842 13.006 2.349 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.382 11.985 -0.442 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.301 11.292 0.879 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.679 10.931 3.113 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.441 10.819 -0.997 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.269 9.533 3.740 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.510 9.422 -0.372 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.865 8.777 1.996 1.00 0.00 H new ATOM 702 N ARG A 42 4.145 14.614 0.749 1.00 0.00 N ATOM 703 CA ARG A 42 5.518 15.176 0.884 1.00 0.00 C ATOM 704 C ARG A 42 5.534 16.236 1.988 1.00 0.00 C ATOM 705 O ARG A 42 6.009 17.338 1.797 1.00 0.00 O ATOM 706 CB ARG A 42 5.940 15.815 -0.440 1.00 0.00 C ATOM 707 CG ARG A 42 7.380 15.413 -0.763 1.00 0.00 C ATOM 708 CD ARG A 42 8.346 16.350 -0.033 1.00 0.00 C ATOM 709 NE ARG A 42 9.542 15.582 0.414 1.00 0.00 N ATOM 710 CZ ARG A 42 10.681 16.192 0.586 1.00 0.00 C ATOM 711 NH1 ARG A 42 10.908 16.850 1.690 1.00 0.00 N ATOM 712 NH2 ARG A 42 11.595 16.143 -0.345 1.00 0.00 N ATOM 0 H ARG A 42 3.589 15.005 -0.011 1.00 0.00 H new ATOM 0 HA ARG A 42 6.212 14.375 1.141 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.273 15.494 -1.240 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.860 16.900 -0.374 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.558 14.381 -0.460 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.551 15.463 -1.838 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.649 17.163 -0.693 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.850 16.804 0.825 1.00 0.00 H new ATOM 0 HE ARG A 42 9.469 14.579 0.585 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.194 16.887 2.418 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.799 17.327 1.825 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.418 15.627 -1.207 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.486 16.620 -0.210 1.00 0.00 H new ATOM 726 N ARG A 43 5.022 15.910 3.143 1.00 0.00 N ATOM 727 CA ARG A 43 5.010 16.897 4.260 1.00 0.00 C ATOM 728 C ARG A 43 5.358 16.180 5.566 1.00 0.00 C ATOM 729 O ARG A 43 6.394 16.413 6.156 1.00 0.00 O ATOM 730 CB ARG A 43 3.618 17.523 4.374 1.00 0.00 C ATOM 731 CG ARG A 43 3.749 19.039 4.543 1.00 0.00 C ATOM 732 CD ARG A 43 4.138 19.361 5.987 1.00 0.00 C ATOM 733 NE ARG A 43 5.573 19.757 6.038 1.00 0.00 N ATOM 734 CZ ARG A 43 6.043 20.618 5.178 1.00 0.00 C ATOM 735 NH1 ARG A 43 5.396 21.728 4.946 1.00 0.00 N ATOM 736 NH2 ARG A 43 7.159 20.369 4.549 1.00 0.00 N ATOM 0 H ARG A 43 4.611 15.002 3.362 1.00 0.00 H new ATOM 0 HA ARG A 43 5.742 17.681 4.066 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.032 17.295 3.484 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.085 17.097 5.224 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.502 19.428 3.857 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.807 19.526 4.292 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.513 20.167 6.372 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.966 18.493 6.623 1.00 0.00 H new ATOM 0 HE ARG A 43 6.188 19.355 6.745 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.523 21.922 5.437 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.763 22.401 4.274 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.664 19.501 4.730 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.527 21.042 3.877 1.00 0.00 H new ATOM 750 N ASN A 44 4.501 15.305 6.014 1.00 0.00 N ATOM 751 CA ASN A 44 4.779 14.564 7.276 1.00 0.00 C ATOM 752 C ASN A 44 4.809 13.065 6.977 1.00 0.00 C ATOM 753 O ASN A 44 4.224 12.268 7.682 1.00 0.00 O ATOM 754 CB ASN A 44 3.679 14.863 8.295 1.00 0.00 C ATOM 755 CG ASN A 44 3.238 16.321 8.153 1.00 0.00 C ATOM 756 OD1 ASN A 44 2.158 16.596 7.669 1.00 0.00 O ATOM 757 ND2 ASN A 44 4.034 17.273 8.557 1.00 0.00 N ATOM 0 H ASN A 44 3.618 15.071 5.560 1.00 0.00 H new ATOM 0 HA ASN A 44 5.740 14.876 7.684 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.830 14.198 8.136 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.044 14.679 9.305 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.750 18.248 8.467 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.941 17.042 8.963 1.00 0.00 H new ATOM 764 N ALA A 45 5.483 12.679 5.928 1.00 0.00 N ATOM 765 CA ALA A 45 5.550 11.234 5.570 1.00 0.00 C ATOM 766 C ALA A 45 5.902 10.407 6.808 1.00 0.00 C ATOM 767 O ALA A 45 5.461 9.286 6.962 1.00 0.00 O ATOM 768 CB ALA A 45 6.622 11.026 4.498 1.00 0.00 C ATOM 0 H ALA A 45 5.991 13.304 5.302 1.00 0.00 H new ATOM 0 HA ALA A 45 4.581 10.913 5.188 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.673 9.970 4.234 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.369 11.609 3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.589 11.351 4.882 1.00 0.00 H new ATOM 774 N ALA A 46 6.696 10.946 7.689 1.00 0.00 N ATOM 775 CA ALA A 46 7.079 10.185 8.911 1.00 0.00 C ATOM 776 C ALA A 46 5.821 9.681 9.624 1.00 0.00 C ATOM 777 O ALA A 46 5.866 8.733 10.382 1.00 0.00 O ATOM 778 CB ALA A 46 7.866 11.098 9.852 1.00 0.00 C ATOM 0 H ALA A 46 7.097 11.881 7.616 1.00 0.00 H new ATOM 0 HA ALA A 46 7.696 9.333 8.626 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.147 10.543 10.747 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.765 11.452 9.348 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.248 11.950 10.133 1.00 0.00 H new ATOM 784 N THR A 47 4.701 10.314 9.400 1.00 0.00 N ATOM 785 CA THR A 47 3.450 9.870 10.082 1.00 0.00 C ATOM 786 C THR A 47 2.784 8.728 9.303 1.00 0.00 C ATOM 787 O THR A 47 2.640 7.630 9.802 1.00 0.00 O ATOM 788 CB THR A 47 2.480 11.049 10.177 1.00 0.00 C ATOM 789 OG1 THR A 47 3.042 12.057 11.007 1.00 0.00 O ATOM 790 CG2 THR A 47 1.155 10.574 10.774 1.00 0.00 C ATOM 0 H THR A 47 4.598 11.115 8.778 1.00 0.00 H new ATOM 0 HA THR A 47 3.704 9.512 11.080 1.00 0.00 H new ATOM 0 HB THR A 47 2.302 11.455 9.181 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.422 12.814 11.068 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.464 11.414 10.841 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.725 9.801 10.137 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.330 10.167 11.770 1.00 0.00 H new ATOM 798 N TRP A 48 2.357 8.981 8.094 1.00 0.00 N ATOM 799 CA TRP A 48 1.681 7.913 7.300 1.00 0.00 C ATOM 800 C TRP A 48 2.597 6.690 7.174 1.00 0.00 C ATOM 801 O TRP A 48 2.177 5.566 7.365 1.00 0.00 O ATOM 802 CB TRP A 48 1.303 8.466 5.912 1.00 0.00 C ATOM 803 CG TRP A 48 2.425 8.299 4.937 1.00 0.00 C ATOM 804 CD1 TRP A 48 3.126 9.314 4.390 1.00 0.00 C ATOM 805 CD2 TRP A 48 2.969 7.072 4.367 1.00 0.00 C ATOM 806 NE1 TRP A 48 4.081 8.793 3.537 1.00 0.00 N ATOM 807 CE2 TRP A 48 4.022 7.414 3.487 1.00 0.00 C ATOM 808 CE3 TRP A 48 2.658 5.710 4.534 1.00 0.00 C ATOM 809 CZ2 TRP A 48 4.741 6.439 2.794 1.00 0.00 C ATOM 810 CZ3 TRP A 48 3.379 4.726 3.838 1.00 0.00 C ATOM 811 CH2 TRP A 48 4.419 5.091 2.970 1.00 0.00 C ATOM 0 H TRP A 48 2.447 9.881 7.622 1.00 0.00 H new ATOM 0 HA TRP A 48 0.770 7.600 7.810 1.00 0.00 H new ATOM 0 HB2 TRP A 48 0.417 7.951 5.542 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.046 9.522 5.996 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.967 10.364 4.587 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.747 9.357 3.010 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.860 5.419 5.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.541 6.725 2.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 3.132 3.683 3.972 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.971 4.330 2.438 1.00 0.00 H new ATOM 822 N LYS A 49 3.845 6.897 6.858 1.00 0.00 N ATOM 823 CA LYS A 49 4.779 5.745 6.725 1.00 0.00 C ATOM 824 C LYS A 49 4.632 4.831 7.941 1.00 0.00 C ATOM 825 O LYS A 49 4.421 3.643 7.815 1.00 0.00 O ATOM 826 CB LYS A 49 6.218 6.263 6.645 1.00 0.00 C ATOM 827 CG LYS A 49 6.862 5.787 5.341 1.00 0.00 C ATOM 828 CD LYS A 49 8.383 5.914 5.446 1.00 0.00 C ATOM 829 CE LYS A 49 8.918 4.861 6.420 1.00 0.00 C ATOM 830 NZ LYS A 49 9.926 5.485 7.323 1.00 0.00 N ATOM 0 H LYS A 49 4.258 7.814 6.686 1.00 0.00 H new ATOM 0 HA LYS A 49 4.544 5.186 5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.226 7.352 6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.793 5.904 7.499 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.586 4.751 5.144 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.494 6.380 4.504 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.838 5.781 4.465 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.652 6.913 5.790 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.099 4.443 7.006 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.369 4.036 5.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.289 4.770 7.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.712 5.864 6.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.481 6.258 7.859 1.00 0.00 H new ATOM 844 N ASN A 50 4.739 5.374 9.121 1.00 0.00 N ATOM 845 CA ASN A 50 4.600 4.530 10.339 1.00 0.00 C ATOM 846 C ASN A 50 3.177 3.972 10.409 1.00 0.00 C ATOM 847 O ASN A 50 2.927 2.958 11.029 1.00 0.00 O ATOM 848 CB ASN A 50 4.878 5.377 11.582 1.00 0.00 C ATOM 849 CG ASN A 50 4.661 4.529 12.836 1.00 0.00 C ATOM 850 OD1 ASN A 50 5.243 3.472 12.976 1.00 0.00 O ATOM 851 ND2 ASN A 50 3.843 4.951 13.761 1.00 0.00 N ATOM 0 H ASN A 50 4.916 6.363 9.294 1.00 0.00 H new ATOM 0 HA ASN A 50 5.313 3.707 10.295 1.00 0.00 H new ATOM 0 HB2 ASN A 50 5.901 5.754 11.557 1.00 0.00 H new ATOM 0 HB3 ASN A 50 4.219 6.245 11.598 1.00 0.00 H new ATOM 0 HD21 ASN A 50 3.692 4.393 14.602 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.354 5.839 13.643 1.00 0.00 H new ATOM 858 N ALA A 51 2.241 4.630 9.781 1.00 0.00 N ATOM 859 CA ALA A 51 0.834 4.142 9.814 1.00 0.00 C ATOM 860 C ALA A 51 0.687 2.917 8.907 1.00 0.00 C ATOM 861 O ALA A 51 -0.022 1.983 9.225 1.00 0.00 O ATOM 862 CB ALA A 51 -0.101 5.250 9.325 1.00 0.00 C ATOM 0 H ALA A 51 2.391 5.485 9.246 1.00 0.00 H new ATOM 0 HA ALA A 51 0.574 3.866 10.836 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.131 4.894 9.349 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.003 6.121 9.973 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.164 5.526 8.304 1.00 0.00 H new ATOM 868 N VAL A 52 1.344 2.911 7.778 1.00 0.00 N ATOM 869 CA VAL A 52 1.225 1.743 6.858 1.00 0.00 C ATOM 870 C VAL A 52 1.802 0.496 7.537 1.00 0.00 C ATOM 871 O VAL A 52 1.205 -0.563 7.516 1.00 0.00 O ATOM 872 CB VAL A 52 1.971 2.037 5.545 1.00 0.00 C ATOM 873 CG1 VAL A 52 3.445 1.630 5.652 1.00 0.00 C ATOM 874 CG2 VAL A 52 1.314 1.251 4.408 1.00 0.00 C ATOM 0 H VAL A 52 1.955 3.661 7.454 1.00 0.00 H new ATOM 0 HA VAL A 52 0.175 1.564 6.628 1.00 0.00 H new ATOM 0 HB VAL A 52 1.919 3.107 5.346 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.952 1.847 4.712 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.920 2.190 6.458 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.513 0.563 5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.838 1.455 3.474 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.364 0.184 4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.271 1.553 4.312 1.00 0.00 H new ATOM 884 N ARG A 53 2.952 0.612 8.142 1.00 0.00 N ATOM 885 CA ARG A 53 3.551 -0.570 8.821 1.00 0.00 C ATOM 886 C ARG A 53 2.476 -1.259 9.662 1.00 0.00 C ATOM 887 O ARG A 53 2.211 -2.435 9.508 1.00 0.00 O ATOM 888 CB ARG A 53 4.698 -0.116 9.725 1.00 0.00 C ATOM 889 CG ARG A 53 5.375 -1.340 10.347 1.00 0.00 C ATOM 890 CD ARG A 53 6.752 -1.539 9.709 1.00 0.00 C ATOM 891 NE ARG A 53 7.707 -0.542 10.269 1.00 0.00 N ATOM 892 CZ ARG A 53 8.517 -0.886 11.232 1.00 0.00 C ATOM 893 NH1 ARG A 53 8.042 -1.417 12.326 1.00 0.00 N ATOM 894 NH2 ARG A 53 9.802 -0.700 11.102 1.00 0.00 N ATOM 0 H ARG A 53 3.500 1.470 8.195 1.00 0.00 H new ATOM 0 HA ARG A 53 3.937 -1.266 8.076 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.423 0.460 9.149 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.319 0.540 10.508 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.477 -1.205 11.424 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.760 -2.227 10.194 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.111 -2.550 9.901 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.683 -1.425 8.627 1.00 0.00 H new ATOM 0 HE ARG A 53 7.727 0.409 9.900 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.038 -1.563 12.428 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.675 -1.686 13.079 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.173 -0.285 10.247 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.435 -0.969 11.855 1.00 0.00 H new ATOM 908 N HIS A 54 1.846 -0.534 10.545 1.00 0.00 N ATOM 909 CA HIS A 54 0.782 -1.144 11.387 1.00 0.00 C ATOM 910 C HIS A 54 -0.265 -1.789 10.473 1.00 0.00 C ATOM 911 O HIS A 54 -0.489 -2.982 10.513 1.00 0.00 O ATOM 912 CB HIS A 54 0.128 -0.053 12.248 1.00 0.00 C ATOM 913 CG HIS A 54 -1.226 -0.510 12.725 1.00 0.00 C ATOM 914 ND1 HIS A 54 -2.403 0.023 12.226 1.00 0.00 N ATOM 915 CD2 HIS A 54 -1.603 -1.449 13.651 1.00 0.00 C ATOM 916 CE1 HIS A 54 -3.424 -0.592 12.850 1.00 0.00 C ATOM 917 NE2 HIS A 54 -2.991 -1.499 13.730 1.00 0.00 N ATOM 0 H HIS A 54 2.023 0.455 10.719 1.00 0.00 H new ATOM 0 HA HIS A 54 1.210 -1.904 12.041 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.764 0.177 13.103 1.00 0.00 H new ATOM 0 HB3 HIS A 54 0.027 0.865 11.670 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -0.925 -2.057 14.231 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -4.466 -0.379 12.662 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -3.556 -2.099 14.331 1.00 0.00 H new ATOM 925 N ASN A 55 -0.905 -1.005 9.649 1.00 0.00 N ATOM 926 CA ASN A 55 -1.933 -1.569 8.731 1.00 0.00 C ATOM 927 C ASN A 55 -1.323 -2.726 7.934 1.00 0.00 C ATOM 928 O ASN A 55 -2.002 -3.656 7.550 1.00 0.00 O ATOM 929 CB ASN A 55 -2.408 -0.479 7.768 1.00 0.00 C ATOM 930 CG ASN A 55 -3.575 0.285 8.396 1.00 0.00 C ATOM 931 OD1 ASN A 55 -4.375 -0.286 9.111 1.00 0.00 O ATOM 932 ND2 ASN A 55 -3.710 1.562 8.159 1.00 0.00 N ATOM 0 H ASN A 55 -0.760 0.002 9.572 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.780 -1.934 9.312 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.590 0.206 7.545 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.718 -0.924 6.823 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.486 2.078 8.574 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.040 2.043 7.559 1.00 0.00 H new ATOM 939 N LEU A 56 -0.043 -2.671 7.682 1.00 0.00 N ATOM 940 CA LEU A 56 0.617 -3.762 6.907 1.00 0.00 C ATOM 941 C LEU A 56 0.670 -5.042 7.749 1.00 0.00 C ATOM 942 O LEU A 56 0.410 -6.124 7.263 1.00 0.00 O ATOM 943 CB LEU A 56 2.043 -3.332 6.547 1.00 0.00 C ATOM 944 CG LEU A 56 2.024 -2.497 5.265 1.00 0.00 C ATOM 945 CD1 LEU A 56 3.459 -2.205 4.828 1.00 0.00 C ATOM 946 CD2 LEU A 56 1.307 -3.273 4.159 1.00 0.00 C ATOM 0 H LEU A 56 0.575 -1.917 7.980 1.00 0.00 H new ATOM 0 HA LEU A 56 0.047 -3.955 5.998 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.475 -2.753 7.363 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.674 -4.210 6.411 1.00 0.00 H new ATOM 0 HG LEU A 56 1.499 -1.560 5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.447 -1.610 3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.974 -1.653 5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.981 -3.144 4.643 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.294 -2.677 3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.832 -4.210 3.973 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.284 -3.485 4.468 1.00 0.00 H new ATOM 958 N SER A 57 1.014 -4.929 9.004 1.00 0.00 N ATOM 959 CA SER A 57 1.092 -6.144 9.867 1.00 0.00 C ATOM 960 C SER A 57 -0.317 -6.660 10.168 1.00 0.00 C ATOM 961 O SER A 57 -0.566 -7.849 10.159 1.00 0.00 O ATOM 962 CB SER A 57 1.798 -5.791 11.178 1.00 0.00 C ATOM 963 OG SER A 57 1.758 -6.914 12.050 1.00 0.00 O ATOM 0 H SER A 57 1.244 -4.050 9.468 1.00 0.00 H new ATOM 0 HA SER A 57 1.653 -6.920 9.346 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.831 -5.505 10.982 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.313 -4.935 11.647 1.00 0.00 H new ATOM 0 HG SER A 57 2.211 -6.692 12.890 1.00 0.00 H new ATOM 969 N LEU A 58 -1.239 -5.778 10.435 1.00 0.00 N ATOM 970 CA LEU A 58 -2.631 -6.222 10.739 1.00 0.00 C ATOM 971 C LEU A 58 -3.306 -6.710 9.455 1.00 0.00 C ATOM 972 O LEU A 58 -4.095 -7.633 9.469 1.00 0.00 O ATOM 973 CB LEU A 58 -3.421 -5.044 11.316 1.00 0.00 C ATOM 974 CG LEU A 58 -4.834 -5.503 11.679 1.00 0.00 C ATOM 975 CD1 LEU A 58 -4.791 -6.323 12.969 1.00 0.00 C ATOM 976 CD2 LEU A 58 -5.728 -4.278 11.887 1.00 0.00 C ATOM 0 H LEU A 58 -1.091 -4.769 10.456 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.605 -7.036 11.464 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.917 -4.653 12.199 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.467 -4.233 10.589 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.234 -6.117 10.872 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.799 -6.649 13.226 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.153 -7.195 12.825 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.391 -5.710 13.777 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.736 -4.603 12.146 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.325 -3.666 12.694 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.760 -3.691 10.969 1.00 0.00 H new ATOM 988 N HIS A 59 -3.001 -6.096 8.345 1.00 0.00 N ATOM 989 CA HIS A 59 -3.622 -6.522 7.059 1.00 0.00 C ATOM 990 C HIS A 59 -2.990 -7.839 6.598 1.00 0.00 C ATOM 991 O HIS A 59 -1.882 -7.866 6.099 1.00 0.00 O ATOM 992 CB HIS A 59 -3.378 -5.439 6.006 1.00 0.00 C ATOM 993 CG HIS A 59 -4.197 -4.222 6.337 1.00 0.00 C ATOM 994 ND1 HIS A 59 -5.415 -4.307 6.991 1.00 0.00 N ATOM 995 CD2 HIS A 59 -3.984 -2.884 6.112 1.00 0.00 C ATOM 996 CE1 HIS A 59 -5.885 -3.054 7.138 1.00 0.00 C ATOM 997 NE2 HIS A 59 -5.051 -2.149 6.618 1.00 0.00 N ATOM 0 H HIS A 59 -2.347 -5.316 8.273 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.694 -6.667 7.196 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -2.320 -5.180 5.974 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.645 -5.812 5.017 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -3.120 -2.466 5.617 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -6.822 -2.810 7.618 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -5.171 -1.136 6.597 1.00 0.00 H new ATOM 1005 N LYS A 60 -3.683 -8.933 6.766 1.00 0.00 N ATOM 1006 CA LYS A 60 -3.119 -10.248 6.346 1.00 0.00 C ATOM 1007 C LYS A 60 -3.258 -10.417 4.829 1.00 0.00 C ATOM 1008 O LYS A 60 -2.632 -11.275 4.238 1.00 0.00 O ATOM 1009 CB LYS A 60 -3.873 -11.375 7.058 1.00 0.00 C ATOM 1010 CG LYS A 60 -2.996 -12.629 7.110 1.00 0.00 C ATOM 1011 CD LYS A 60 -1.797 -12.383 8.029 1.00 0.00 C ATOM 1012 CE LYS A 60 -0.519 -12.874 7.345 1.00 0.00 C ATOM 1013 NZ LYS A 60 0.011 -14.061 8.075 1.00 0.00 N ATOM 0 H LYS A 60 -4.616 -8.973 7.176 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.063 -10.287 6.613 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.141 -11.065 8.068 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.803 -11.592 6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.577 -13.476 7.474 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.652 -12.885 6.108 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.714 -11.321 8.259 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.938 -12.904 8.976 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.726 -13.135 6.307 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.227 -12.079 7.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.879 -14.395 7.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.224 -13.797 9.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.700 -14.820 8.066 1.00 0.00 H new ATOM 1027 N TYR A 61 -4.067 -9.615 4.188 1.00 0.00 N ATOM 1028 CA TYR A 61 -4.217 -9.758 2.712 1.00 0.00 C ATOM 1029 C TYR A 61 -2.966 -9.221 2.020 1.00 0.00 C ATOM 1030 O TYR A 61 -2.736 -9.469 0.853 1.00 0.00 O ATOM 1031 CB TYR A 61 -5.455 -9.001 2.225 1.00 0.00 C ATOM 1032 CG TYR A 61 -5.449 -7.588 2.755 1.00 0.00 C ATOM 1033 CD1 TYR A 61 -4.793 -6.575 2.044 1.00 0.00 C ATOM 1034 CD2 TYR A 61 -6.118 -7.288 3.946 1.00 0.00 C ATOM 1035 CE1 TYR A 61 -4.803 -5.263 2.529 1.00 0.00 C ATOM 1036 CE2 TYR A 61 -6.132 -5.974 4.429 1.00 0.00 C ATOM 1037 CZ TYR A 61 -5.474 -4.961 3.721 1.00 0.00 C ATOM 1038 OH TYR A 61 -5.492 -3.665 4.194 1.00 0.00 O ATOM 0 H TYR A 61 -4.624 -8.876 4.617 1.00 0.00 H new ATOM 0 HA TYR A 61 -4.341 -10.813 2.467 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.476 -8.987 1.135 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.357 -9.516 2.555 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -4.280 -6.807 1.122 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.624 -8.070 4.493 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.293 -4.482 1.984 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.650 -5.742 5.348 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.447 -3.041 3.440 1.00 0.00 H new ATOM 1048 N PHE A 62 -2.140 -8.507 2.735 1.00 0.00 N ATOM 1049 CA PHE A 62 -0.892 -7.985 2.116 1.00 0.00 C ATOM 1050 C PHE A 62 0.146 -9.104 2.147 1.00 0.00 C ATOM 1051 O PHE A 62 0.065 -10.005 2.958 1.00 0.00 O ATOM 1052 CB PHE A 62 -0.383 -6.781 2.913 1.00 0.00 C ATOM 1053 CG PHE A 62 -1.037 -5.523 2.395 1.00 0.00 C ATOM 1054 CD1 PHE A 62 -1.032 -5.244 1.025 1.00 0.00 C ATOM 1055 CD2 PHE A 62 -1.653 -4.638 3.286 1.00 0.00 C ATOM 1056 CE1 PHE A 62 -1.641 -4.079 0.545 1.00 0.00 C ATOM 1057 CE2 PHE A 62 -2.261 -3.473 2.808 1.00 0.00 C ATOM 1058 CZ PHE A 62 -2.257 -3.194 1.438 1.00 0.00 C ATOM 0 H PHE A 62 -2.276 -8.264 3.716 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.078 -7.666 1.090 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.607 -6.911 3.972 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.701 -6.704 2.824 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.558 -5.928 0.337 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.659 -4.855 4.344 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.636 -3.863 -0.513 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.734 -2.789 3.497 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.729 -2.296 1.069 1.00 0.00 H new ATOM 1068 N VAL A 63 1.110 -9.080 1.273 1.00 0.00 N ATOM 1069 CA VAL A 63 2.116 -10.178 1.281 1.00 0.00 C ATOM 1070 C VAL A 63 3.532 -9.597 1.161 1.00 0.00 C ATOM 1071 O VAL A 63 3.716 -8.423 0.905 1.00 0.00 O ATOM 1072 CB VAL A 63 1.820 -11.158 0.120 1.00 0.00 C ATOM 1073 CG1 VAL A 63 0.367 -11.013 -0.339 1.00 0.00 C ATOM 1074 CG2 VAL A 63 2.762 -10.908 -1.064 1.00 0.00 C ATOM 0 H VAL A 63 1.246 -8.360 0.563 1.00 0.00 H new ATOM 0 HA VAL A 63 2.053 -10.723 2.223 1.00 0.00 H new ATOM 0 HB VAL A 63 1.984 -12.172 0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.172 -11.708 -1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.301 -11.235 0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.194 -9.993 -0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.533 -11.610 -1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.629 -9.888 -1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.794 -11.048 -0.743 1.00 0.00 H new ATOM 1084 N ARG A 64 4.529 -10.421 1.339 1.00 0.00 N ATOM 1085 CA ARG A 64 5.936 -9.940 1.234 1.00 0.00 C ATOM 1086 C ARG A 64 6.809 -11.079 0.702 1.00 0.00 C ATOM 1087 O ARG A 64 7.298 -11.900 1.453 1.00 0.00 O ATOM 1088 CB ARG A 64 6.437 -9.513 2.615 1.00 0.00 C ATOM 1089 CG ARG A 64 6.146 -10.620 3.629 1.00 0.00 C ATOM 1090 CD ARG A 64 6.226 -10.046 5.044 1.00 0.00 C ATOM 1091 NE ARG A 64 6.605 -11.126 5.999 1.00 0.00 N ATOM 1092 CZ ARG A 64 7.708 -11.025 6.689 1.00 0.00 C ATOM 1093 NH1 ARG A 64 8.863 -11.149 6.096 1.00 0.00 N ATOM 1094 NH2 ARG A 64 7.654 -10.800 7.974 1.00 0.00 N ATOM 0 H ARG A 64 4.428 -11.413 1.554 1.00 0.00 H new ATOM 0 HA ARG A 64 5.986 -9.087 0.557 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.508 -9.311 2.579 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.948 -8.588 2.921 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.156 -11.041 3.451 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.863 -11.432 3.513 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.959 -9.240 5.080 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.266 -9.616 5.328 1.00 0.00 H new ATOM 0 HE ARG A 64 6.004 -11.942 6.113 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.905 -11.325 5.092 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.725 -11.070 6.636 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.750 -10.703 8.437 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.515 -10.721 8.515 1.00 0.00 H new ATOM 1108 N VAL A 65 6.999 -11.145 -0.588 1.00 0.00 N ATOM 1109 CA VAL A 65 7.826 -12.237 -1.163 1.00 0.00 C ATOM 1110 C VAL A 65 9.294 -11.810 -1.226 1.00 0.00 C ATOM 1111 O VAL A 65 9.695 -11.062 -2.095 1.00 0.00 O ATOM 1112 CB VAL A 65 7.330 -12.561 -2.574 1.00 0.00 C ATOM 1113 CG1 VAL A 65 7.868 -13.928 -3.002 1.00 0.00 C ATOM 1114 CG2 VAL A 65 5.799 -12.594 -2.581 1.00 0.00 C ATOM 0 H VAL A 65 6.615 -10.488 -1.267 1.00 0.00 H new ATOM 0 HA VAL A 65 7.740 -13.120 -0.529 1.00 0.00 H new ATOM 0 HB VAL A 65 7.682 -11.797 -3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.515 -14.160 -4.007 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.958 -13.908 -2.996 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.515 -14.691 -2.309 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.445 -12.825 -3.586 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.448 -13.359 -1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.413 -11.622 -2.274 1.00 0.00 H new ATOM 1124 N GLU A 66 10.102 -12.284 -0.315 1.00 0.00 N ATOM 1125 CA GLU A 66 11.542 -11.913 -0.332 1.00 0.00 C ATOM 1126 C GLU A 66 12.190 -12.482 -1.596 1.00 0.00 C ATOM 1127 O GLU A 66 12.313 -13.679 -1.753 1.00 0.00 O ATOM 1128 CB GLU A 66 12.232 -12.494 0.906 1.00 0.00 C ATOM 1129 CG GLU A 66 13.733 -12.206 0.839 1.00 0.00 C ATOM 1130 CD GLU A 66 14.482 -13.180 1.752 1.00 0.00 C ATOM 1131 OE1 GLU A 66 14.071 -14.326 1.827 1.00 0.00 O ATOM 1132 OE2 GLU A 66 15.455 -12.763 2.360 1.00 0.00 O ATOM 0 H GLU A 66 9.824 -12.912 0.439 1.00 0.00 H new ATOM 0 HA GLU A 66 11.644 -10.828 -0.325 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.808 -12.057 1.810 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.060 -13.569 0.960 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.088 -12.307 -0.187 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.931 -11.179 1.145 1.00 0.00 H new ATOM 1139 N ASN A 67 12.600 -11.636 -2.502 1.00 0.00 N ATOM 1140 CA ASN A 67 13.227 -12.137 -3.751 1.00 0.00 C ATOM 1141 C ASN A 67 14.638 -11.560 -3.899 1.00 0.00 C ATOM 1142 O ASN A 67 14.993 -10.587 -3.265 1.00 0.00 O ATOM 1143 CB ASN A 67 12.377 -11.724 -4.953 1.00 0.00 C ATOM 1144 CG ASN A 67 12.703 -12.631 -6.141 1.00 0.00 C ATOM 1145 OD1 ASN A 67 13.544 -12.307 -6.955 1.00 0.00 O ATOM 1146 ND2 ASN A 67 12.069 -13.764 -6.274 1.00 0.00 N ATOM 0 H ASN A 67 12.527 -10.621 -2.428 1.00 0.00 H new ATOM 0 HA ASN A 67 13.290 -13.224 -3.705 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.318 -11.797 -4.706 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.573 -10.683 -5.211 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.280 -14.377 -7.061 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.363 -14.036 -5.590 1.00 0.00 H new ATOM 1153 N VAL A 68 15.442 -12.158 -4.737 1.00 0.00 N ATOM 1154 CA VAL A 68 16.829 -11.655 -4.935 1.00 0.00 C ATOM 1155 C VAL A 68 16.787 -10.179 -5.339 1.00 0.00 C ATOM 1156 O VAL A 68 17.595 -9.384 -4.903 1.00 0.00 O ATOM 1157 CB VAL A 68 17.508 -12.471 -6.037 1.00 0.00 C ATOM 1158 CG1 VAL A 68 18.916 -11.928 -6.291 1.00 0.00 C ATOM 1159 CG2 VAL A 68 17.600 -13.935 -5.598 1.00 0.00 C ATOM 0 H VAL A 68 15.195 -12.976 -5.294 1.00 0.00 H new ATOM 0 HA VAL A 68 17.391 -11.756 -4.007 1.00 0.00 H new ATOM 0 HB VAL A 68 16.923 -12.397 -6.954 1.00 0.00 H new ATOM 0 HG11 VAL A 68 19.395 -12.512 -7.076 1.00 0.00 H new ATOM 0 HG12 VAL A 68 18.853 -10.885 -6.602 1.00 0.00 H new ATOM 0 HG13 VAL A 68 19.504 -11.999 -5.376 1.00 0.00 H new ATOM 0 HG21 VAL A 68 18.083 -14.520 -6.381 1.00 0.00 H new ATOM 0 HG22 VAL A 68 18.184 -14.004 -4.680 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.598 -14.325 -5.420 1.00 0.00 H new ATOM 1169 N LYS A 69 15.849 -9.807 -6.167 1.00 0.00 N ATOM 1170 CA LYS A 69 15.756 -8.386 -6.596 1.00 0.00 C ATOM 1171 C LYS A 69 15.194 -7.541 -5.451 1.00 0.00 C ATOM 1172 O LYS A 69 15.061 -6.338 -5.563 1.00 0.00 O ATOM 1173 CB LYS A 69 14.831 -8.280 -7.810 1.00 0.00 C ATOM 1174 CG LYS A 69 13.397 -8.604 -7.387 1.00 0.00 C ATOM 1175 CD LYS A 69 12.605 -9.090 -8.603 1.00 0.00 C ATOM 1176 CE LYS A 69 11.134 -9.261 -8.219 1.00 0.00 C ATOM 1177 NZ LYS A 69 10.433 -10.045 -9.275 1.00 0.00 N ATOM 0 H LYS A 69 15.144 -10.427 -6.564 1.00 0.00 H new ATOM 0 HA LYS A 69 16.748 -8.022 -6.862 1.00 0.00 H new ATOM 0 HB2 LYS A 69 14.879 -7.276 -8.231 1.00 0.00 H new ATOM 0 HB3 LYS A 69 15.156 -8.969 -8.590 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.399 -9.370 -6.611 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.923 -7.720 -6.961 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.698 -8.375 -9.420 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.011 -10.036 -8.960 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.055 -9.771 -7.259 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.662 -8.286 -8.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.433 -10.162 -9.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.498 -9.541 -10.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.878 -10.980 -9.366 1.00 0.00 H new ATOM 1191 N GLY A 70 14.862 -8.160 -4.351 1.00 0.00 N ATOM 1192 CA GLY A 70 14.309 -7.397 -3.205 1.00 0.00 C ATOM 1193 C GLY A 70 12.882 -7.869 -2.916 1.00 0.00 C ATOM 1194 O GLY A 70 12.101 -8.100 -3.817 1.00 0.00 O ATOM 0 H GLY A 70 14.952 -9.165 -4.200 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.935 -7.539 -2.324 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.312 -6.330 -3.430 1.00 0.00 H new ATOM 1198 N ALA A 71 12.534 -8.015 -1.666 1.00 0.00 N ATOM 1199 CA ALA A 71 11.159 -8.470 -1.326 1.00 0.00 C ATOM 1200 C ALA A 71 10.144 -7.476 -1.890 1.00 0.00 C ATOM 1201 O ALA A 71 10.439 -6.312 -2.076 1.00 0.00 O ATOM 1202 CB ALA A 71 11.006 -8.544 0.195 1.00 0.00 C ATOM 0 H ALA A 71 13.143 -7.839 -0.867 1.00 0.00 H new ATOM 0 HA ALA A 71 10.985 -9.456 -1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.998 -8.877 0.444 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.732 -9.249 0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.179 -7.558 0.626 1.00 0.00 H new ATOM 1208 N VAL A 72 8.947 -7.919 -2.163 1.00 0.00 N ATOM 1209 CA VAL A 72 7.923 -6.988 -2.712 1.00 0.00 C ATOM 1210 C VAL A 72 6.614 -7.150 -1.947 1.00 0.00 C ATOM 1211 O VAL A 72 6.260 -8.230 -1.518 1.00 0.00 O ATOM 1212 CB VAL A 72 7.665 -7.300 -4.186 1.00 0.00 C ATOM 1213 CG1 VAL A 72 8.837 -6.805 -5.033 1.00 0.00 C ATOM 1214 CG2 VAL A 72 7.512 -8.811 -4.367 1.00 0.00 C ATOM 0 H VAL A 72 8.636 -8.881 -2.030 1.00 0.00 H new ATOM 0 HA VAL A 72 8.293 -5.968 -2.610 1.00 0.00 H new ATOM 0 HB VAL A 72 6.752 -6.797 -4.505 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.648 -7.030 -6.083 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.948 -5.728 -4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.752 -7.304 -4.714 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.328 -9.035 -5.418 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.425 -9.310 -4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.673 -9.166 -3.768 1.00 0.00 H new ATOM 1224 N TRP A 73 5.882 -6.085 -1.791 1.00 0.00 N ATOM 1225 CA TRP A 73 4.587 -6.177 -1.075 1.00 0.00 C ATOM 1226 C TRP A 73 3.469 -6.416 -2.093 1.00 0.00 C ATOM 1227 O TRP A 73 3.183 -5.578 -2.926 1.00 0.00 O ATOM 1228 CB TRP A 73 4.308 -4.893 -0.287 1.00 0.00 C ATOM 1229 CG TRP A 73 5.100 -4.902 0.981 1.00 0.00 C ATOM 1230 CD1 TRP A 73 6.256 -4.228 1.179 1.00 0.00 C ATOM 1231 CD2 TRP A 73 4.818 -5.605 2.227 1.00 0.00 C ATOM 1232 NE1 TRP A 73 6.701 -4.470 2.466 1.00 0.00 N ATOM 1233 CE2 TRP A 73 5.850 -5.314 3.151 1.00 0.00 C ATOM 1234 CE3 TRP A 73 3.780 -6.459 2.641 1.00 0.00 C ATOM 1235 CZ2 TRP A 73 5.850 -5.849 4.439 1.00 0.00 C ATOM 1236 CZ3 TRP A 73 3.778 -6.999 3.938 1.00 0.00 C ATOM 1237 CH2 TRP A 73 4.811 -6.695 4.834 1.00 0.00 C ATOM 0 H TRP A 73 6.127 -5.155 -2.130 1.00 0.00 H new ATOM 0 HA TRP A 73 4.630 -7.006 -0.369 1.00 0.00 H new ATOM 0 HB2 TRP A 73 4.572 -4.022 -0.886 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.244 -4.816 -0.063 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.751 -3.603 0.451 1.00 0.00 H new ATOM 0 HE1 TRP A 73 7.554 -4.073 2.861 1.00 0.00 H new ATOM 0 HE3 TRP A 73 2.980 -6.701 1.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 6.648 -5.611 5.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 2.975 -7.652 4.246 1.00 0.00 H new ATOM 0 HH2 TRP A 73 4.804 -7.114 5.829 1.00 0.00 H new ATOM 1248 N THR A 74 2.843 -7.558 -2.039 1.00 0.00 N ATOM 1249 CA THR A 74 1.759 -7.867 -3.001 1.00 0.00 C ATOM 1250 C THR A 74 0.462 -8.102 -2.227 1.00 0.00 C ATOM 1251 O THR A 74 0.428 -8.003 -1.017 1.00 0.00 O ATOM 1252 CB THR A 74 2.173 -9.113 -3.824 1.00 0.00 C ATOM 1253 OG1 THR A 74 1.951 -8.874 -5.200 1.00 0.00 O ATOM 1254 CG2 THR A 74 1.375 -10.367 -3.431 1.00 0.00 C ATOM 0 H THR A 74 3.041 -8.295 -1.362 1.00 0.00 H new ATOM 0 HA THR A 74 1.593 -7.039 -3.691 1.00 0.00 H new ATOM 0 HB THR A 74 3.228 -9.289 -3.616 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.700 -9.712 -5.641 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.703 -11.212 -4.037 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.542 -10.589 -2.377 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.313 -10.190 -3.600 1.00 0.00 H new ATOM 1262 N VAL A 75 -0.600 -8.415 -2.910 1.00 0.00 N ATOM 1263 CA VAL A 75 -1.881 -8.665 -2.196 1.00 0.00 C ATOM 1264 C VAL A 75 -2.533 -9.940 -2.742 1.00 0.00 C ATOM 1265 O VAL A 75 -2.472 -10.219 -3.923 1.00 0.00 O ATOM 1266 CB VAL A 75 -2.823 -7.477 -2.398 1.00 0.00 C ATOM 1267 CG1 VAL A 75 -4.179 -7.783 -1.758 1.00 0.00 C ATOM 1268 CG2 VAL A 75 -2.221 -6.233 -1.740 1.00 0.00 C ATOM 0 H VAL A 75 -0.638 -8.508 -3.925 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.683 -8.789 -1.131 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.957 -7.299 -3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.849 -6.936 -1.903 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.609 -8.670 -2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.046 -7.962 -0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.891 -5.385 -1.883 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.087 -6.414 -0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.255 -6.012 -2.194 1.00 0.00 H new ATOM 1278 N ASP A 76 -3.162 -10.710 -1.897 1.00 0.00 N ATOM 1279 CA ASP A 76 -3.821 -11.960 -2.378 1.00 0.00 C ATOM 1280 C ASP A 76 -5.333 -11.735 -2.470 1.00 0.00 C ATOM 1281 O ASP A 76 -6.002 -11.533 -1.476 1.00 0.00 O ATOM 1282 CB ASP A 76 -3.533 -13.103 -1.402 1.00 0.00 C ATOM 1283 CG ASP A 76 -2.463 -14.021 -1.996 1.00 0.00 C ATOM 1284 OD1 ASP A 76 -1.337 -13.574 -2.132 1.00 0.00 O ATOM 1285 OD2 ASP A 76 -2.789 -15.155 -2.306 1.00 0.00 O ATOM 0 H ASP A 76 -3.249 -10.530 -0.897 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.430 -12.220 -3.362 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.195 -12.703 -0.446 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.445 -13.668 -1.207 1.00 0.00 H new ATOM 1290 N GLU A 77 -5.875 -11.766 -3.658 1.00 0.00 N ATOM 1291 CA GLU A 77 -7.343 -11.551 -3.818 1.00 0.00 C ATOM 1292 C GLU A 77 -8.107 -12.516 -2.909 1.00 0.00 C ATOM 1293 O GLU A 77 -9.104 -12.160 -2.312 1.00 0.00 O ATOM 1294 CB GLU A 77 -7.738 -11.805 -5.275 1.00 0.00 C ATOM 1295 CG GLU A 77 -8.912 -10.898 -5.652 1.00 0.00 C ATOM 1296 CD GLU A 77 -10.176 -11.744 -5.826 1.00 0.00 C ATOM 1297 OE1 GLU A 77 -10.270 -12.772 -5.177 1.00 0.00 O ATOM 1298 OE2 GLU A 77 -11.028 -11.347 -6.604 1.00 0.00 O ATOM 0 H GLU A 77 -5.364 -11.931 -4.525 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.590 -10.525 -3.545 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.890 -11.612 -5.932 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.014 -12.851 -5.411 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.068 -10.147 -4.878 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.690 -10.363 -6.575 1.00 0.00 H new ATOM 1305 N VAL A 78 -7.651 -13.732 -2.796 1.00 0.00 N ATOM 1306 CA VAL A 78 -8.352 -14.710 -1.922 1.00 0.00 C ATOM 1307 C VAL A 78 -8.347 -14.189 -0.488 1.00 0.00 C ATOM 1308 O VAL A 78 -9.379 -14.020 0.131 1.00 0.00 O ATOM 1309 CB VAL A 78 -7.626 -16.054 -1.975 1.00 0.00 C ATOM 1310 CG1 VAL A 78 -8.337 -17.055 -1.064 1.00 0.00 C ATOM 1311 CG2 VAL A 78 -7.630 -16.578 -3.412 1.00 0.00 C ATOM 0 H VAL A 78 -6.823 -14.090 -3.272 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.378 -14.839 -2.265 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.597 -15.925 -1.638 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.819 -18.013 -1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -8.334 -16.681 -0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.366 -17.185 -1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.112 -17.537 -3.451 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.658 -16.707 -3.749 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.122 -15.865 -4.061 1.00 0.00 H new ATOM 1321 N GLU A 79 -7.185 -13.933 0.041 1.00 0.00 N ATOM 1322 CA GLU A 79 -7.096 -13.420 1.433 1.00 0.00 C ATOM 1323 C GLU A 79 -7.791 -12.059 1.519 1.00 0.00 C ATOM 1324 O GLU A 79 -8.574 -11.806 2.411 1.00 0.00 O ATOM 1325 CB GLU A 79 -5.626 -13.270 1.826 1.00 0.00 C ATOM 1326 CG GLU A 79 -5.330 -14.140 3.048 1.00 0.00 C ATOM 1327 CD GLU A 79 -4.786 -15.494 2.589 1.00 0.00 C ATOM 1328 OE1 GLU A 79 -4.626 -15.671 1.393 1.00 0.00 O ATOM 1329 OE2 GLU A 79 -4.539 -16.331 3.443 1.00 0.00 O ATOM 0 H GLU A 79 -6.290 -14.058 -0.433 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.583 -14.119 2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.985 -13.563 0.994 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.403 -12.226 2.048 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.605 -13.645 3.694 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.237 -14.281 3.636 1.00 0.00 H new ATOM 1336 N PHE A 80 -7.511 -11.182 0.593 1.00 0.00 N ATOM 1337 CA PHE A 80 -8.154 -9.839 0.617 1.00 0.00 C ATOM 1338 C PHE A 80 -9.675 -10.004 0.620 1.00 0.00 C ATOM 1339 O PHE A 80 -10.395 -9.206 1.188 1.00 0.00 O ATOM 1340 CB PHE A 80 -7.726 -9.045 -0.619 1.00 0.00 C ATOM 1341 CG PHE A 80 -8.373 -7.681 -0.592 1.00 0.00 C ATOM 1342 CD1 PHE A 80 -9.720 -7.538 -0.945 1.00 0.00 C ATOM 1343 CD2 PHE A 80 -7.625 -6.559 -0.214 1.00 0.00 C ATOM 1344 CE1 PHE A 80 -10.320 -6.273 -0.921 1.00 0.00 C ATOM 1345 CE2 PHE A 80 -8.225 -5.294 -0.191 1.00 0.00 C ATOM 1346 CZ PHE A 80 -9.571 -5.151 -0.544 1.00 0.00 C ATOM 0 H PHE A 80 -6.864 -11.339 -0.180 1.00 0.00 H new ATOM 0 HA PHE A 80 -7.845 -9.303 1.515 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.641 -8.944 -0.641 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -8.015 -9.578 -1.525 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.297 -8.404 -1.236 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.586 -6.669 0.060 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.359 -6.163 -1.193 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -7.648 -4.428 0.099 1.00 0.00 H new ATOM 0 HZ PHE A 80 -10.033 -4.175 -0.526 1.00 0.00 H new ATOM 1356 N GLN A 81 -10.170 -11.033 -0.010 1.00 0.00 N ATOM 1357 CA GLN A 81 -11.644 -11.248 -0.044 1.00 0.00 C ATOM 1358 C GLN A 81 -12.076 -12.023 1.203 1.00 0.00 C ATOM 1359 O GLN A 81 -13.077 -11.715 1.820 1.00 0.00 O ATOM 1360 CB GLN A 81 -12.013 -12.047 -1.295 1.00 0.00 C ATOM 1361 CG GLN A 81 -13.495 -12.423 -1.241 1.00 0.00 C ATOM 1362 CD GLN A 81 -13.633 -13.906 -0.888 1.00 0.00 C ATOM 1363 OE1 GLN A 81 -12.800 -14.710 -1.258 1.00 0.00 O ATOM 1364 NE2 GLN A 81 -14.656 -14.304 -0.184 1.00 0.00 N ATOM 0 H GLN A 81 -9.618 -11.735 -0.503 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.152 -10.284 -0.066 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.809 -11.458 -2.189 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.401 -12.946 -1.359 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.009 -11.812 -0.499 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.967 -12.222 -2.202 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.355 -13.629 0.126 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.757 -15.290 0.056 1.00 0.00 H new ATOM 1373 N LYS A 82 -11.333 -13.026 1.581 1.00 0.00 N ATOM 1374 CA LYS A 82 -11.706 -13.816 2.789 1.00 0.00 C ATOM 1375 C LYS A 82 -12.037 -12.859 3.936 1.00 0.00 C ATOM 1376 O LYS A 82 -13.082 -12.951 4.552 1.00 0.00 O ATOM 1377 CB LYS A 82 -10.534 -14.715 3.193 1.00 0.00 C ATOM 1378 CG LYS A 82 -11.023 -16.158 3.332 1.00 0.00 C ATOM 1379 CD LYS A 82 -11.923 -16.278 4.563 1.00 0.00 C ATOM 1380 CE LYS A 82 -12.996 -17.338 4.310 1.00 0.00 C ATOM 1381 NZ LYS A 82 -14.114 -17.157 5.279 1.00 0.00 N ATOM 0 H LYS A 82 -10.484 -13.333 1.106 1.00 0.00 H new ATOM 0 HA LYS A 82 -12.576 -14.435 2.568 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -9.743 -14.658 2.445 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.107 -14.372 4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -11.571 -16.455 2.438 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.173 -16.834 3.423 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.329 -16.548 5.436 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.390 -15.317 4.780 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.369 -17.256 3.289 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.568 -18.335 4.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.843 -17.878 5.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.752 -17.256 6.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.528 -16.210 5.159 1.00 0.00 H new ATOM 1395 N ARG A 83 -11.157 -11.941 4.227 1.00 0.00 N ATOM 1396 CA ARG A 83 -11.419 -10.979 5.332 1.00 0.00 C ATOM 1397 C ARG A 83 -12.620 -10.102 4.972 1.00 0.00 C ATOM 1398 O ARG A 83 -13.480 -9.844 5.790 1.00 0.00 O ATOM 1399 CB ARG A 83 -10.187 -10.097 5.541 1.00 0.00 C ATOM 1400 CG ARG A 83 -10.072 -9.722 7.018 1.00 0.00 C ATOM 1401 CD ARG A 83 -8.932 -8.718 7.204 1.00 0.00 C ATOM 1402 NE ARG A 83 -8.839 -8.329 8.638 1.00 0.00 N ATOM 1403 CZ ARG A 83 -8.487 -9.213 9.532 1.00 0.00 C ATOM 1404 NH1 ARG A 83 -7.223 -9.404 9.798 1.00 0.00 N ATOM 1405 NH2 ARG A 83 -9.398 -9.905 10.161 1.00 0.00 N ATOM 0 H ARG A 83 -10.266 -11.816 3.746 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.633 -11.528 6.249 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.290 -10.625 5.218 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.264 -9.197 4.931 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.010 -9.292 7.369 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.887 -10.614 7.617 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.990 -9.156 6.874 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.106 -7.836 6.588 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.050 -7.372 8.922 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.511 -8.863 9.307 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.947 -10.094 10.496 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.385 -9.755 9.954 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.122 -10.595 10.859 1.00 0.00 H new ATOM 1419 N ARG A 84 -12.685 -9.639 3.752 1.00 0.00 N ATOM 1420 CA ARG A 84 -13.830 -8.779 3.343 1.00 0.00 C ATOM 1421 C ARG A 84 -15.147 -9.492 3.679 1.00 0.00 C ATOM 1422 O ARG A 84 -15.460 -10.508 3.092 1.00 0.00 O ATOM 1423 CB ARG A 84 -13.761 -8.526 1.835 1.00 0.00 C ATOM 1424 CG ARG A 84 -12.961 -7.249 1.567 1.00 0.00 C ATOM 1425 CD ARG A 84 -13.918 -6.114 1.205 1.00 0.00 C ATOM 1426 NE ARG A 84 -13.227 -4.805 1.382 1.00 0.00 N ATOM 1427 CZ ARG A 84 -13.595 -3.998 2.340 1.00 0.00 C ATOM 1428 NH1 ARG A 84 -14.798 -3.491 2.341 1.00 0.00 N ATOM 1429 NH2 ARG A 84 -12.759 -3.694 3.294 1.00 0.00 N ATOM 0 H ARG A 84 -11.995 -9.820 3.023 1.00 0.00 H new ATOM 0 HA ARG A 84 -13.782 -7.829 3.876 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -13.292 -9.373 1.335 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -14.767 -8.430 1.425 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -12.379 -6.981 2.448 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -12.253 -7.415 0.755 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -14.255 -6.223 0.174 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -14.805 -6.157 1.836 1.00 0.00 H new ATOM 0 HE ARG A 84 -12.467 -4.540 0.755 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -15.451 -3.725 1.593 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -15.085 -2.861 3.090 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.818 -4.087 3.292 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.047 -3.063 4.042 1.00 0.00 H new ATOM 1443 N PRO A 85 -15.879 -8.943 4.618 1.00 0.00 N ATOM 1444 CA PRO A 85 -17.166 -9.515 5.051 1.00 0.00 C ATOM 1445 C PRO A 85 -18.265 -9.204 4.031 1.00 0.00 C ATOM 1446 O PRO A 85 -19.354 -9.740 4.096 1.00 0.00 O ATOM 1447 CB PRO A 85 -17.439 -8.816 6.387 1.00 0.00 C ATOM 1448 CG PRO A 85 -16.617 -7.507 6.370 1.00 0.00 C ATOM 1449 CD PRO A 85 -15.498 -7.705 5.331 1.00 0.00 C ATOM 0 HA PRO A 85 -17.143 -10.601 5.142 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -18.502 -8.606 6.505 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -17.144 -9.449 7.224 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -17.246 -6.657 6.105 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -16.199 -7.299 7.355 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -15.433 -6.857 4.649 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -14.524 -7.805 5.809 1.00 0.00 H new ATOM 1457 N GLN A 86 -17.991 -8.341 3.092 1.00 0.00 N ATOM 1458 CA GLN A 86 -19.019 -7.998 2.075 1.00 0.00 C ATOM 1459 C GLN A 86 -19.145 -9.140 1.064 1.00 0.00 C ATOM 1460 O GLN A 86 -18.220 -9.443 0.337 1.00 0.00 O ATOM 1461 CB GLN A 86 -18.611 -6.715 1.348 1.00 0.00 C ATOM 1462 CG GLN A 86 -19.408 -5.537 1.912 1.00 0.00 C ATOM 1463 CD GLN A 86 -19.681 -4.524 0.799 1.00 0.00 C ATOM 1464 OE1 GLN A 86 -19.099 -4.601 -0.265 1.00 0.00 O ATOM 1465 NE2 GLN A 86 -20.548 -3.570 1.000 1.00 0.00 N ATOM 0 H GLN A 86 -17.098 -7.859 2.987 1.00 0.00 H new ATOM 0 HA GLN A 86 -19.978 -7.846 2.569 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -17.543 -6.538 1.471 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -18.796 -6.815 0.279 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -20.348 -5.890 2.335 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -18.853 -5.063 2.721 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -21.037 -3.505 1.893 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -20.737 -2.889 0.264 1.00 0.00 H new ATOM 1474 N LYS A 87 -20.283 -9.777 1.012 1.00 0.00 N ATOM 1475 CA LYS A 87 -20.465 -10.899 0.048 1.00 0.00 C ATOM 1476 C LYS A 87 -20.084 -10.432 -1.358 1.00 0.00 C ATOM 1477 O LYS A 87 -19.262 -11.087 -1.976 1.00 0.00 O ATOM 1478 CB LYS A 87 -21.929 -11.347 0.059 1.00 0.00 C ATOM 1479 CG LYS A 87 -22.048 -12.711 -0.623 1.00 0.00 C ATOM 1480 CD LYS A 87 -22.686 -13.711 0.342 1.00 0.00 C ATOM 1481 CE LYS A 87 -24.067 -14.116 -0.178 1.00 0.00 C ATOM 1482 NZ LYS A 87 -24.451 -15.431 0.407 1.00 0.00 N ATOM 1483 OXT LYS A 87 -20.623 -9.426 -1.794 1.00 0.00 O ATOM 0 H LYS A 87 -21.094 -9.569 1.595 1.00 0.00 H new ATOM 0 HA LYS A 87 -19.827 -11.734 0.337 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -22.295 -11.408 1.084 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -22.549 -10.614 -0.458 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -22.652 -12.626 -1.527 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -21.063 -13.063 -0.930 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -22.051 -14.591 0.442 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -22.775 -13.268 1.334 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -24.804 -13.358 0.088 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -24.054 -14.180 -1.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -25.390 -15.707 0.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -23.752 -16.151 0.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -24.480 -15.355 1.444 1.00 0.00 H new TER 1497 LYS A 87