USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 597 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 34 LYS NZ :NH3+ -121:sc= 0.0168 (180deg=0) USER MOD Set 1.2: A 35 TYR OH : rot 180:sc= 0.0159 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot -34:sc= 0.239 USER MOD Single : A 10 TYR OH : rot 180:sc= 0.0151 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 18 ASN : amide:sc= -0.0637 K(o=-0.064,f=-2) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -1.83 K(o=-1.8,f=-0.71) USER MOD Single : A 22 LYS NZ :NH3+ 145:sc= -0.255 (180deg=-1.6!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -4.35! C(o=-4.3!,f=-7.5!) USER MOD Single : A 39 THR OG1 : rot 180:sc=7.88e-05 USER MOD Single : A 40 ASN : amide:sc= 1.11 K(o=1.1,f=-1.4) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 166:sc=-0.00648 (180deg=-0.117) USER MOD Single : A 49 LYS NZ :NH3+ 139:sc= -2.82! (180deg=-6.04!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.822 K(o=-0.82,f=-3.2!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -75:sc= 0.674 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 132:sc= -0.154 (180deg=-0.823) USER MOD Single : A 68 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.33) USER MOD Single : A 69 TYR OH : rot -158:sc= -0.475 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -0.146 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.695 9.419 11.518 1.00 0.00 N ATOM 2 CA GLY A 1 -5.460 9.811 10.349 1.00 0.00 C ATOM 3 C GLY A 1 -4.587 10.383 9.250 1.00 0.00 C ATOM 4 O GLY A 1 -3.950 11.421 9.432 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.337 9.034 12.240 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.000 8.693 11.251 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.199 10.248 11.902 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.001 8.946 9.966 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.206 10.551 10.638 1.00 0.00 H new ATOM 8 N SER A 2 -4.556 9.705 8.107 1.00 0.00 N ATOM 9 CA SER A 2 -3.750 10.150 6.976 1.00 0.00 C ATOM 10 C SER A 2 -4.608 10.302 5.724 1.00 0.00 C ATOM 11 O SER A 2 -4.715 9.380 4.916 1.00 0.00 O ATOM 12 CB SER A 2 -2.613 9.161 6.713 1.00 0.00 C ATOM 13 OG SER A 2 -1.748 9.069 7.831 1.00 0.00 O ATOM 0 H SER A 2 -5.080 8.846 7.940 1.00 0.00 H new ATOM 0 HA SER A 2 -3.325 11.123 7.224 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.027 8.178 6.488 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.047 9.477 5.837 1.00 0.00 H new ATOM 0 HG SER A 2 -1.031 8.429 7.638 1.00 0.00 H new ATOM 19 N SER A 3 -5.218 11.473 5.571 1.00 0.00 N ATOM 20 CA SER A 3 -6.070 11.746 4.419 1.00 0.00 C ATOM 21 C SER A 3 -5.232 12.104 3.196 1.00 0.00 C ATOM 22 O SER A 3 -4.059 12.455 3.314 1.00 0.00 O ATOM 23 CB SER A 3 -7.043 12.883 4.736 1.00 0.00 C ATOM 24 OG SER A 3 -8.106 12.432 5.557 1.00 0.00 O ATOM 0 H SER A 3 -5.138 12.248 6.230 1.00 0.00 H new ATOM 0 HA SER A 3 -6.638 10.843 4.196 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.511 13.692 5.237 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.444 13.291 3.808 1.00 0.00 H new ATOM 0 HG SER A 3 -8.712 13.178 5.746 1.00 0.00 H new ATOM 30 N GLY A 4 -5.845 12.012 2.019 1.00 0.00 N ATOM 31 CA GLY A 4 -5.141 12.328 0.790 1.00 0.00 C ATOM 32 C GLY A 4 -4.913 11.107 -0.079 1.00 0.00 C ATOM 33 O GLY A 4 -5.261 9.991 0.305 1.00 0.00 O ATOM 0 H GLY A 4 -6.816 11.724 1.895 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.711 13.068 0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.180 12.782 1.032 1.00 0.00 H new ATOM 37 N SER A 5 -4.327 11.319 -1.253 1.00 0.00 N ATOM 38 CA SER A 5 -4.058 10.227 -2.181 1.00 0.00 C ATOM 39 C SER A 5 -2.614 9.753 -2.057 1.00 0.00 C ATOM 40 O SER A 5 -1.943 9.500 -3.058 1.00 0.00 O ATOM 41 CB SER A 5 -4.339 10.670 -3.618 1.00 0.00 C ATOM 42 OG SER A 5 -5.687 11.080 -3.771 1.00 0.00 O ATOM 0 H SER A 5 -4.029 12.237 -1.584 1.00 0.00 H new ATOM 0 HA SER A 5 -4.718 9.397 -1.928 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.673 11.491 -3.886 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.125 9.850 -4.303 1.00 0.00 H new ATOM 0 HG SER A 5 -5.841 11.360 -4.698 1.00 0.00 H new ATOM 48 N SER A 6 -2.141 9.634 -0.820 1.00 0.00 N ATOM 49 CA SER A 6 -0.775 9.193 -0.563 1.00 0.00 C ATOM 50 C SER A 6 -0.747 7.727 -0.140 1.00 0.00 C ATOM 51 O SER A 6 -1.219 7.372 0.939 1.00 0.00 O ATOM 52 CB SER A 6 -0.132 10.061 0.520 1.00 0.00 C ATOM 53 OG SER A 6 0.219 11.336 0.011 1.00 0.00 O ATOM 0 H SER A 6 -2.684 9.837 0.020 1.00 0.00 H new ATOM 0 HA SER A 6 -0.206 9.297 -1.487 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.823 10.177 1.355 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.757 9.564 0.909 1.00 0.00 H new ATOM 0 HG SER A 6 0.626 11.872 0.723 1.00 0.00 H new ATOM 59 N GLY A 7 -0.190 6.880 -1.000 1.00 0.00 N ATOM 60 CA GLY A 7 -0.110 5.463 -0.698 1.00 0.00 C ATOM 61 C GLY A 7 1.320 4.975 -0.577 1.00 0.00 C ATOM 62 O GLY A 7 1.946 4.613 -1.573 1.00 0.00 O ATOM 0 H GLY A 7 0.207 7.150 -1.900 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.639 5.263 0.234 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.618 4.899 -1.480 1.00 0.00 H new ATOM 66 N ASP A 8 1.838 4.966 0.646 1.00 0.00 N ATOM 67 CA ASP A 8 3.204 4.520 0.895 1.00 0.00 C ATOM 68 C ASP A 8 3.287 2.997 0.890 1.00 0.00 C ATOM 69 O ASP A 8 2.901 2.340 1.857 1.00 0.00 O ATOM 70 CB ASP A 8 3.707 5.066 2.232 1.00 0.00 C ATOM 71 CG ASP A 8 3.651 6.580 2.296 1.00 0.00 C ATOM 72 OD1 ASP A 8 2.550 7.142 2.121 1.00 0.00 O ATOM 73 OD2 ASP A 8 4.710 7.202 2.523 1.00 0.00 O ATOM 0 H ASP A 8 1.333 5.263 1.481 1.00 0.00 H new ATOM 0 HA ASP A 8 3.837 4.904 0.095 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.107 4.648 3.041 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.733 4.736 2.393 1.00 0.00 H new ATOM 78 N TYR A 9 3.793 2.441 -0.205 1.00 0.00 N ATOM 79 CA TYR A 9 3.924 0.994 -0.338 1.00 0.00 C ATOM 80 C TYR A 9 4.748 0.415 0.807 1.00 0.00 C ATOM 81 O TYR A 9 4.413 -0.633 1.360 1.00 0.00 O ATOM 82 CB TYR A 9 4.572 0.640 -1.678 1.00 0.00 C ATOM 83 CG TYR A 9 3.727 1.011 -2.876 1.00 0.00 C ATOM 84 CD1 TYR A 9 2.388 0.647 -2.945 1.00 0.00 C ATOM 85 CD2 TYR A 9 4.267 1.726 -3.937 1.00 0.00 C ATOM 86 CE1 TYR A 9 1.612 0.982 -4.038 1.00 0.00 C ATOM 87 CE2 TYR A 9 3.499 2.067 -5.034 1.00 0.00 C ATOM 88 CZ TYR A 9 2.173 1.692 -5.080 1.00 0.00 C ATOM 89 OH TYR A 9 1.403 2.030 -6.170 1.00 0.00 O ATOM 0 H TYR A 9 4.119 2.970 -1.014 1.00 0.00 H new ATOM 0 HA TYR A 9 2.925 0.559 -0.299 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.534 1.147 -1.752 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.773 -0.431 -1.703 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.946 0.093 -2.130 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.305 2.021 -3.904 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.573 0.690 -4.077 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.935 2.624 -5.850 1.00 0.00 H new ATOM 0 HH TYR A 9 0.749 1.321 -6.341 1.00 0.00 H new ATOM 99 N TYR A 10 5.827 1.105 1.159 1.00 0.00 N ATOM 100 CA TYR A 10 6.701 0.659 2.237 1.00 0.00 C ATOM 101 C TYR A 10 5.896 0.323 3.489 1.00 0.00 C ATOM 102 O TYR A 10 6.296 -0.522 4.289 1.00 0.00 O ATOM 103 CB TYR A 10 7.739 1.736 2.559 1.00 0.00 C ATOM 104 CG TYR A 10 8.653 2.062 1.399 1.00 0.00 C ATOM 105 CD1 TYR A 10 9.475 1.090 0.843 1.00 0.00 C ATOM 106 CD2 TYR A 10 8.693 3.341 0.859 1.00 0.00 C ATOM 107 CE1 TYR A 10 10.312 1.384 -0.216 1.00 0.00 C ATOM 108 CE2 TYR A 10 9.525 3.644 -0.201 1.00 0.00 C ATOM 109 CZ TYR A 10 10.334 2.662 -0.735 1.00 0.00 C ATOM 110 OH TYR A 10 11.165 2.958 -1.791 1.00 0.00 O ATOM 0 H TYR A 10 6.117 1.975 0.713 1.00 0.00 H new ATOM 0 HA TYR A 10 7.214 -0.243 1.904 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.223 2.644 2.871 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.342 1.406 3.405 1.00 0.00 H new ATOM 0 HD1 TYR A 10 9.459 0.088 1.245 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.062 4.112 1.275 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.946 0.617 -0.636 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.542 4.644 -0.609 1.00 0.00 H new ATOM 0 HH TYR A 10 11.059 3.901 -2.037 1.00 0.00 H new ATOM 120 N GLN A 11 4.759 0.992 3.649 1.00 0.00 N ATOM 121 CA GLN A 11 3.896 0.766 4.803 1.00 0.00 C ATOM 122 C GLN A 11 2.975 -0.427 4.568 1.00 0.00 C ATOM 123 O GLN A 11 2.750 -1.237 5.467 1.00 0.00 O ATOM 124 CB GLN A 11 3.066 2.016 5.099 1.00 0.00 C ATOM 125 CG GLN A 11 3.763 3.005 6.019 1.00 0.00 C ATOM 126 CD GLN A 11 3.567 2.677 7.485 1.00 0.00 C ATOM 127 OE1 GLN A 11 4.277 1.843 8.047 1.00 0.00 O ATOM 128 NE2 GLN A 11 2.599 3.333 8.115 1.00 0.00 N ATOM 0 H GLN A 11 4.414 1.694 2.995 1.00 0.00 H new ATOM 0 HA GLN A 11 4.530 0.549 5.662 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.826 2.514 4.159 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.121 1.716 5.551 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.829 3.016 5.793 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.384 4.008 5.821 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.034 4.016 7.611 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.421 3.153 9.103 1.00 0.00 H new ATOM 137 N ILE A 12 2.444 -0.527 3.354 1.00 0.00 N ATOM 138 CA ILE A 12 1.547 -1.621 3.001 1.00 0.00 C ATOM 139 C ILE A 12 2.243 -2.971 3.147 1.00 0.00 C ATOM 140 O ILE A 12 1.630 -3.955 3.564 1.00 0.00 O ATOM 141 CB ILE A 12 1.026 -1.479 1.559 1.00 0.00 C ATOM 142 CG1 ILE A 12 0.109 -0.260 1.443 1.00 0.00 C ATOM 143 CG2 ILE A 12 0.293 -2.743 1.134 1.00 0.00 C ATOM 144 CD1 ILE A 12 -0.156 0.164 0.015 1.00 0.00 C ATOM 0 H ILE A 12 2.619 0.136 2.599 1.00 0.00 H new ATOM 0 HA ILE A 12 0.704 -1.572 3.690 1.00 0.00 H new ATOM 0 HB ILE A 12 1.877 -1.335 0.893 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.841 -0.482 1.929 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.557 0.574 1.984 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.069 -2.627 0.113 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.974 -3.593 1.183 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.551 -2.916 1.801 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.813 1.034 0.010 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.786 0.418 -0.470 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.632 -0.654 -0.525 1.00 0.00 H new ATOM 156 N LEU A 13 3.525 -3.009 2.804 1.00 0.00 N ATOM 157 CA LEU A 13 4.306 -4.238 2.899 1.00 0.00 C ATOM 158 C LEU A 13 4.941 -4.375 4.280 1.00 0.00 C ATOM 159 O LEU A 13 5.060 -5.477 4.813 1.00 0.00 O ATOM 160 CB LEU A 13 5.392 -4.260 1.822 1.00 0.00 C ATOM 161 CG LEU A 13 4.916 -4.534 0.395 1.00 0.00 C ATOM 162 CD1 LEU A 13 5.962 -4.083 -0.613 1.00 0.00 C ATOM 163 CD2 LEU A 13 4.599 -6.011 0.213 1.00 0.00 C ATOM 0 H LEU A 13 4.046 -2.204 2.458 1.00 0.00 H new ATOM 0 HA LEU A 13 3.632 -5.080 2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.907 -3.299 1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.127 -5.019 2.091 1.00 0.00 H new ATOM 0 HG LEU A 13 4.004 -3.963 0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.606 -4.286 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.140 -3.014 -0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.891 -4.626 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.262 -6.188 -0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.494 -6.602 0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.814 -6.303 0.910 1.00 0.00 H new ATOM 175 N GLY A 14 5.344 -3.246 4.854 1.00 0.00 N ATOM 176 CA GLY A 14 5.960 -3.261 6.169 1.00 0.00 C ATOM 177 C GLY A 14 7.474 -3.280 6.100 1.00 0.00 C ATOM 178 O GLY A 14 8.129 -3.972 6.879 1.00 0.00 O ATOM 0 H GLY A 14 5.255 -2.321 4.433 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.636 -2.384 6.729 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.613 -4.136 6.719 1.00 0.00 H new ATOM 182 N VAL A 15 8.032 -2.519 5.164 1.00 0.00 N ATOM 183 CA VAL A 15 9.478 -2.451 4.995 1.00 0.00 C ATOM 184 C VAL A 15 9.977 -1.014 5.098 1.00 0.00 C ATOM 185 O VAL A 15 9.273 -0.061 4.762 1.00 0.00 O ATOM 186 CB VAL A 15 9.914 -3.038 3.640 1.00 0.00 C ATOM 187 CG1 VAL A 15 9.764 -4.551 3.640 1.00 0.00 C ATOM 188 CG2 VAL A 15 9.111 -2.414 2.507 1.00 0.00 C ATOM 0 H VAL A 15 7.504 -1.941 4.511 1.00 0.00 H new ATOM 0 HA VAL A 15 9.918 -3.044 5.797 1.00 0.00 H new ATOM 0 HB VAL A 15 10.966 -2.802 3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.077 -4.948 2.674 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.386 -4.978 4.427 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.721 -4.813 3.819 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.432 -2.840 1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.051 -2.618 2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.275 -1.336 2.495 1.00 0.00 H new ATOM 198 N PRO A 16 11.220 -0.851 5.574 1.00 0.00 N ATOM 199 CA PRO A 16 11.842 0.467 5.731 1.00 0.00 C ATOM 200 C PRO A 16 12.164 1.120 4.391 1.00 0.00 C ATOM 201 O PRO A 16 12.592 0.451 3.451 1.00 0.00 O ATOM 202 CB PRO A 16 13.130 0.162 6.500 1.00 0.00 C ATOM 203 CG PRO A 16 13.442 -1.256 6.169 1.00 0.00 C ATOM 204 CD PRO A 16 12.116 -1.942 5.993 1.00 0.00 C ATOM 0 HA PRO A 16 11.182 1.171 6.239 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.939 0.827 6.197 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.992 0.297 7.573 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.039 -1.322 5.260 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.021 -1.724 6.965 1.00 0.00 H new ATOM 0 HD2 PRO A 16 12.168 -2.730 5.242 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.778 -2.406 6.919 1.00 0.00 H new ATOM 212 N ARG A 17 11.954 2.430 4.311 1.00 0.00 N ATOM 213 CA ARG A 17 12.222 3.173 3.085 1.00 0.00 C ATOM 214 C ARG A 17 13.579 2.789 2.502 1.00 0.00 C ATOM 215 O ARG A 17 13.829 2.978 1.312 1.00 0.00 O ATOM 216 CB ARG A 17 12.177 4.678 3.356 1.00 0.00 C ATOM 217 CG ARG A 17 10.866 5.149 3.962 1.00 0.00 C ATOM 218 CD ARG A 17 10.862 6.654 4.179 1.00 0.00 C ATOM 219 NE ARG A 17 11.957 7.086 5.043 1.00 0.00 N ATOM 220 CZ ARG A 17 12.423 8.330 5.073 1.00 0.00 C ATOM 221 NH1 ARG A 17 11.891 9.260 4.291 1.00 0.00 N ATOM 222 NH2 ARG A 17 13.422 8.646 5.887 1.00 0.00 N ATOM 0 H ARG A 17 11.599 2.999 5.080 1.00 0.00 H new ATOM 0 HA ARG A 17 11.450 2.919 2.359 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.994 4.942 4.028 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.348 5.212 2.421 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.041 4.873 3.306 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.701 4.643 4.913 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.939 7.159 3.216 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.912 6.954 4.621 1.00 0.00 H new ATOM 0 HE ARG A 17 12.388 6.395 5.657 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.122 9.021 3.665 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.251 10.214 4.316 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.833 7.934 6.490 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.779 9.601 5.909 1.00 0.00 H new ATOM 236 N ASN A 18 14.450 2.252 3.349 1.00 0.00 N ATOM 237 CA ASN A 18 15.782 1.843 2.918 1.00 0.00 C ATOM 238 C ASN A 18 15.892 0.323 2.857 1.00 0.00 C ATOM 239 O ASN A 18 16.930 -0.249 3.189 1.00 0.00 O ATOM 240 CB ASN A 18 16.843 2.404 3.868 1.00 0.00 C ATOM 241 CG ASN A 18 16.776 3.915 3.981 1.00 0.00 C ATOM 242 OD1 ASN A 18 16.087 4.577 3.205 1.00 0.00 O ATOM 243 ND2 ASN A 18 17.496 4.468 4.950 1.00 0.00 N ATOM 0 H ASN A 18 14.258 2.090 4.338 1.00 0.00 H new ATOM 0 HA ASN A 18 15.951 2.242 1.918 1.00 0.00 H new ATOM 0 HB2 ASN A 18 16.712 1.962 4.856 1.00 0.00 H new ATOM 0 HB3 ASN A 18 17.833 2.112 3.516 1.00 0.00 H new ATOM 0 HD21 ASN A 18 17.492 5.480 5.074 1.00 0.00 H new ATOM 0 HD22 ASN A 18 18.053 3.880 5.570 1.00 0.00 H new ATOM 250 N ALA A 19 14.813 -0.326 2.430 1.00 0.00 N ATOM 251 CA ALA A 19 14.788 -1.780 2.323 1.00 0.00 C ATOM 252 C ALA A 19 15.542 -2.251 1.084 1.00 0.00 C ATOM 253 O ALA A 19 16.116 -1.446 0.351 1.00 0.00 O ATOM 254 CB ALA A 19 13.353 -2.282 2.293 1.00 0.00 C ATOM 0 H ALA A 19 13.945 0.132 2.153 1.00 0.00 H new ATOM 0 HA ALA A 19 15.287 -2.194 3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 19 13.349 -3.369 2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.844 -1.984 3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 19 12.835 -1.853 1.435 1.00 0.00 H new ATOM 260 N SER A 20 15.536 -3.561 0.856 1.00 0.00 N ATOM 261 CA SER A 20 16.223 -4.140 -0.292 1.00 0.00 C ATOM 262 C SER A 20 15.327 -5.144 -1.012 1.00 0.00 C ATOM 263 O SER A 20 14.431 -5.735 -0.409 1.00 0.00 O ATOM 264 CB SER A 20 17.518 -4.823 0.153 1.00 0.00 C ATOM 265 OG SER A 20 18.237 -5.327 -0.959 1.00 0.00 O ATOM 0 H SER A 20 15.063 -4.241 1.451 1.00 0.00 H new ATOM 0 HA SER A 20 16.465 -3.333 -0.984 1.00 0.00 H new ATOM 0 HB2 SER A 20 18.138 -4.113 0.699 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.286 -5.637 0.839 1.00 0.00 H new ATOM 0 HG SER A 20 19.061 -5.757 -0.648 1.00 0.00 H new ATOM 271 N GLN A 21 15.577 -5.331 -2.304 1.00 0.00 N ATOM 272 CA GLN A 21 14.792 -6.262 -3.106 1.00 0.00 C ATOM 273 C GLN A 21 14.426 -7.502 -2.298 1.00 0.00 C ATOM 274 O GLN A 21 13.259 -7.886 -2.224 1.00 0.00 O ATOM 275 CB GLN A 21 15.569 -6.667 -4.360 1.00 0.00 C ATOM 276 CG GLN A 21 15.318 -5.756 -5.551 1.00 0.00 C ATOM 277 CD GLN A 21 15.313 -4.288 -5.173 1.00 0.00 C ATOM 278 OE1 GLN A 21 16.348 -3.723 -4.821 1.00 0.00 O ATOM 279 NE2 GLN A 21 14.144 -3.662 -5.245 1.00 0.00 N ATOM 0 H GLN A 21 16.316 -4.851 -2.817 1.00 0.00 H new ATOM 0 HA GLN A 21 13.871 -5.760 -3.403 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.635 -6.668 -4.132 1.00 0.00 H new ATOM 0 HB3 GLN A 21 15.299 -7.688 -4.631 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.086 -5.930 -6.305 1.00 0.00 H new ATOM 0 HG3 GLN A 21 14.361 -6.013 -6.005 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.311 -4.170 -5.542 1.00 0.00 H new ATOM 0 HE22 GLN A 21 14.079 -2.673 -5.003 1.00 0.00 H new ATOM 288 N LYS A 22 15.432 -8.126 -1.693 1.00 0.00 N ATOM 289 CA LYS A 22 15.217 -9.323 -0.888 1.00 0.00 C ATOM 290 C LYS A 22 14.138 -9.086 0.163 1.00 0.00 C ATOM 291 O LYS A 22 13.136 -9.799 0.209 1.00 0.00 O ATOM 292 CB LYS A 22 16.521 -9.747 -0.209 1.00 0.00 C ATOM 293 CG LYS A 22 17.424 -10.586 -1.097 1.00 0.00 C ATOM 294 CD LYS A 22 16.902 -12.006 -1.241 1.00 0.00 C ATOM 295 CE LYS A 22 17.384 -12.894 -0.104 1.00 0.00 C ATOM 296 NZ LYS A 22 16.475 -12.831 1.073 1.00 0.00 N ATOM 0 H LYS A 22 16.404 -7.822 -1.745 1.00 0.00 H new ATOM 0 HA LYS A 22 14.884 -10.121 -1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 22 17.063 -8.856 0.107 1.00 0.00 H new ATOM 0 HB3 LYS A 22 16.284 -10.313 0.692 1.00 0.00 H new ATOM 0 HG2 LYS A 22 17.499 -10.124 -2.081 1.00 0.00 H new ATOM 0 HG3 LYS A 22 18.430 -10.608 -0.677 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.812 -11.994 -1.258 1.00 0.00 H new ATOM 0 HD3 LYS A 22 17.231 -12.421 -2.193 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.455 -13.924 -0.453 1.00 0.00 H new ATOM 0 HE3 LYS A 22 18.387 -12.589 0.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 16.435 -13.764 1.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.832 -12.127 1.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.521 -12.558 0.761 1.00 0.00 H new ATOM 310 N GLU A 23 14.349 -8.078 1.005 1.00 0.00 N ATOM 311 CA GLU A 23 13.392 -7.748 2.054 1.00 0.00 C ATOM 312 C GLU A 23 12.007 -7.493 1.468 1.00 0.00 C ATOM 313 O GLU A 23 10.997 -7.920 2.028 1.00 0.00 O ATOM 314 CB GLU A 23 13.862 -6.518 2.834 1.00 0.00 C ATOM 315 CG GLU A 23 14.944 -6.822 3.857 1.00 0.00 C ATOM 316 CD GLU A 23 16.340 -6.746 3.270 1.00 0.00 C ATOM 317 OE1 GLU A 23 16.751 -7.708 2.587 1.00 0.00 O ATOM 318 OE2 GLU A 23 17.022 -5.723 3.493 1.00 0.00 O ATOM 0 H GLU A 23 15.173 -7.477 0.981 1.00 0.00 H new ATOM 0 HA GLU A 23 13.329 -8.599 2.733 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.237 -5.774 2.131 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.007 -6.073 3.343 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.863 -6.118 4.685 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.781 -7.818 4.268 1.00 0.00 H new ATOM 325 N ILE A 24 11.968 -6.795 0.338 1.00 0.00 N ATOM 326 CA ILE A 24 10.708 -6.483 -0.324 1.00 0.00 C ATOM 327 C ILE A 24 10.005 -7.753 -0.792 1.00 0.00 C ATOM 328 O ILE A 24 8.788 -7.886 -0.664 1.00 0.00 O ATOM 329 CB ILE A 24 10.922 -5.553 -1.533 1.00 0.00 C ATOM 330 CG1 ILE A 24 11.506 -4.215 -1.076 1.00 0.00 C ATOM 331 CG2 ILE A 24 9.611 -5.339 -2.275 1.00 0.00 C ATOM 332 CD1 ILE A 24 12.160 -3.429 -2.191 1.00 0.00 C ATOM 0 H ILE A 24 12.795 -6.435 -0.138 1.00 0.00 H new ATOM 0 HA ILE A 24 10.083 -5.973 0.410 1.00 0.00 H new ATOM 0 HB ILE A 24 11.630 -6.024 -2.215 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.712 -3.613 -0.635 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.241 -4.397 -0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.778 -4.680 -3.127 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.232 -6.298 -2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.882 -4.886 -1.603 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.552 -2.492 -1.795 1.00 0.00 H new ATOM 0 HD12 ILE A 24 12.976 -4.012 -2.617 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.424 -3.215 -2.966 1.00 0.00 H new ATOM 344 N LYS A 25 10.780 -8.686 -1.335 1.00 0.00 N ATOM 345 CA LYS A 25 10.234 -9.948 -1.821 1.00 0.00 C ATOM 346 C LYS A 25 9.746 -10.811 -0.662 1.00 0.00 C ATOM 347 O LYS A 25 8.576 -11.191 -0.606 1.00 0.00 O ATOM 348 CB LYS A 25 11.289 -10.707 -2.627 1.00 0.00 C ATOM 349 CG LYS A 25 10.751 -11.949 -3.317 1.00 0.00 C ATOM 350 CD LYS A 25 11.871 -12.890 -3.726 1.00 0.00 C ATOM 351 CE LYS A 25 11.330 -14.238 -4.176 1.00 0.00 C ATOM 352 NZ LYS A 25 11.191 -15.188 -3.038 1.00 0.00 N ATOM 0 H LYS A 25 11.789 -8.592 -1.450 1.00 0.00 H new ATOM 0 HA LYS A 25 9.385 -9.724 -2.467 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.711 -10.039 -3.378 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.104 -10.995 -1.963 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.064 -12.469 -2.649 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.179 -11.658 -4.198 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.448 -12.441 -4.534 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.553 -13.032 -2.887 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.360 -14.099 -4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.996 -14.665 -4.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.819 -16.095 -3.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.121 -15.341 -2.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.535 -14.793 -2.334 1.00 0.00 H new ATOM 366 N LYS A 26 10.649 -11.116 0.264 1.00 0.00 N ATOM 367 CA LYS A 26 10.311 -11.932 1.424 1.00 0.00 C ATOM 368 C LYS A 26 9.087 -11.374 2.144 1.00 0.00 C ATOM 369 O LYS A 26 8.216 -12.125 2.580 1.00 0.00 O ATOM 370 CB LYS A 26 11.497 -12.000 2.389 1.00 0.00 C ATOM 371 CG LYS A 26 11.284 -12.960 3.547 1.00 0.00 C ATOM 372 CD LYS A 26 12.441 -12.910 4.531 1.00 0.00 C ATOM 373 CE LYS A 26 13.595 -13.791 4.080 1.00 0.00 C ATOM 374 NZ LYS A 26 14.608 -13.974 5.156 1.00 0.00 N ATOM 0 H LYS A 26 11.621 -10.810 0.233 1.00 0.00 H new ATOM 0 HA LYS A 26 10.078 -12.937 1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.387 -12.302 1.837 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.690 -11.003 2.785 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.356 -12.711 4.062 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.174 -13.975 3.164 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.787 -11.882 4.636 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.098 -13.233 5.514 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.211 -14.764 3.774 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.071 -13.347 3.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.378 -14.581 4.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.994 -13.048 5.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.161 -14.421 5.981 1.00 0.00 H new ATOM 388 N ALA A 27 9.028 -10.052 2.263 1.00 0.00 N ATOM 389 CA ALA A 27 7.910 -9.393 2.926 1.00 0.00 C ATOM 390 C ALA A 27 6.635 -9.509 2.098 1.00 0.00 C ATOM 391 O ALA A 27 5.568 -9.828 2.624 1.00 0.00 O ATOM 392 CB ALA A 27 8.239 -7.932 3.190 1.00 0.00 C ATOM 0 H ALA A 27 9.742 -9.416 1.908 1.00 0.00 H new ATOM 0 HA ALA A 27 7.740 -9.893 3.879 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.395 -7.453 3.686 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.120 -7.867 3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.439 -7.427 2.245 1.00 0.00 H new ATOM 398 N TYR A 28 6.752 -9.248 0.801 1.00 0.00 N ATOM 399 CA TYR A 28 5.608 -9.320 -0.100 1.00 0.00 C ATOM 400 C TYR A 28 4.887 -10.657 0.041 1.00 0.00 C ATOM 401 O TYR A 28 3.666 -10.705 0.193 1.00 0.00 O ATOM 402 CB TYR A 28 6.058 -9.121 -1.548 1.00 0.00 C ATOM 403 CG TYR A 28 5.004 -9.492 -2.567 1.00 0.00 C ATOM 404 CD1 TYR A 28 3.725 -8.955 -2.499 1.00 0.00 C ATOM 405 CD2 TYR A 28 5.289 -10.378 -3.598 1.00 0.00 C ATOM 406 CE1 TYR A 28 2.759 -9.292 -3.427 1.00 0.00 C ATOM 407 CE2 TYR A 28 4.329 -10.720 -4.531 1.00 0.00 C ATOM 408 CZ TYR A 28 3.066 -10.174 -4.441 1.00 0.00 C ATOM 409 OH TYR A 28 2.107 -10.511 -5.369 1.00 0.00 O ATOM 0 H TYR A 28 7.628 -8.985 0.350 1.00 0.00 H new ATOM 0 HA TYR A 28 4.915 -8.523 0.170 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.339 -8.078 -1.692 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.951 -9.719 -1.727 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.482 -8.262 -1.707 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.278 -10.807 -3.672 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.769 -8.867 -3.359 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.566 -11.411 -5.326 1.00 0.00 H new ATOM 0 HH TYR A 28 2.486 -11.142 -6.016 1.00 0.00 H new ATOM 419 N TYR A 29 5.652 -11.742 -0.012 1.00 0.00 N ATOM 420 CA TYR A 29 5.088 -13.081 0.108 1.00 0.00 C ATOM 421 C TYR A 29 4.471 -13.292 1.487 1.00 0.00 C ATOM 422 O TYR A 29 3.388 -13.862 1.614 1.00 0.00 O ATOM 423 CB TYR A 29 6.166 -14.136 -0.147 1.00 0.00 C ATOM 424 CG TYR A 29 6.333 -14.491 -1.608 1.00 0.00 C ATOM 425 CD1 TYR A 29 7.137 -13.724 -2.442 1.00 0.00 C ATOM 426 CD2 TYR A 29 5.686 -15.593 -2.153 1.00 0.00 C ATOM 427 CE1 TYR A 29 7.292 -14.044 -3.777 1.00 0.00 C ATOM 428 CE2 TYR A 29 5.836 -15.921 -3.487 1.00 0.00 C ATOM 429 CZ TYR A 29 6.639 -15.144 -4.294 1.00 0.00 C ATOM 430 OH TYR A 29 6.791 -15.467 -5.623 1.00 0.00 O ATOM 0 H TYR A 29 6.664 -11.720 -0.137 1.00 0.00 H new ATOM 0 HA TYR A 29 4.303 -13.184 -0.641 1.00 0.00 H new ATOM 0 HB2 TYR A 29 7.117 -13.772 0.241 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.918 -15.039 0.412 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.650 -12.863 -2.040 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.055 -16.203 -1.524 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.920 -13.437 -4.412 1.00 0.00 H new ATOM 0 HE2 TYR A 29 5.327 -16.782 -3.895 1.00 0.00 H new ATOM 0 HH TYR A 29 6.266 -16.269 -5.827 1.00 0.00 H new ATOM 440 N GLN A 30 5.170 -12.826 2.518 1.00 0.00 N ATOM 441 CA GLN A 30 4.691 -12.962 3.888 1.00 0.00 C ATOM 442 C GLN A 30 3.276 -12.412 4.029 1.00 0.00 C ATOM 443 O GLN A 30 2.402 -13.057 4.610 1.00 0.00 O ATOM 444 CB GLN A 30 5.631 -12.238 4.854 1.00 0.00 C ATOM 445 CG GLN A 30 6.889 -13.025 5.185 1.00 0.00 C ATOM 446 CD GLN A 30 6.684 -13.998 6.328 1.00 0.00 C ATOM 447 OE1 GLN A 30 6.276 -15.141 6.120 1.00 0.00 O ATOM 448 NE2 GLN A 30 6.966 -13.549 7.546 1.00 0.00 N ATOM 0 H GLN A 30 6.069 -12.352 2.430 1.00 0.00 H new ATOM 0 HA GLN A 30 4.674 -14.023 4.135 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.916 -11.279 4.420 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.094 -12.023 5.778 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.214 -13.573 4.300 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.690 -12.332 5.442 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.302 -12.594 7.672 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.847 -14.159 8.355 1.00 0.00 H new ATOM 457 N LEU A 31 3.056 -11.217 3.493 1.00 0.00 N ATOM 458 CA LEU A 31 1.745 -10.579 3.558 1.00 0.00 C ATOM 459 C LEU A 31 0.756 -11.270 2.626 1.00 0.00 C ATOM 460 O LEU A 31 -0.316 -11.700 3.051 1.00 0.00 O ATOM 461 CB LEU A 31 1.859 -9.098 3.192 1.00 0.00 C ATOM 462 CG LEU A 31 2.179 -8.144 4.344 1.00 0.00 C ATOM 463 CD1 LEU A 31 1.245 -8.393 5.518 1.00 0.00 C ATOM 464 CD2 LEU A 31 3.631 -8.295 4.773 1.00 0.00 C ATOM 0 H LEU A 31 3.768 -10.670 3.009 1.00 0.00 H new ATOM 0 HA LEU A 31 1.375 -10.668 4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.633 -8.991 2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.920 -8.784 2.737 1.00 0.00 H new ATOM 0 HG LEU A 31 2.028 -7.122 3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.488 -7.705 6.328 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.214 -8.233 5.203 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.363 -9.419 5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.841 -7.609 5.593 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.809 -9.319 5.102 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.285 -8.066 3.932 1.00 0.00 H new ATOM 476 N ALA A 32 1.124 -11.376 1.354 1.00 0.00 N ATOM 477 CA ALA A 32 0.271 -12.020 0.362 1.00 0.00 C ATOM 478 C ALA A 32 -0.378 -13.278 0.930 1.00 0.00 C ATOM 479 O ALA A 32 -1.594 -13.453 0.849 1.00 0.00 O ATOM 480 CB ALA A 32 1.073 -12.355 -0.887 1.00 0.00 C ATOM 0 H ALA A 32 2.008 -11.024 0.985 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.523 -11.323 0.094 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.423 -12.835 -1.619 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.484 -11.439 -1.312 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.887 -13.031 -0.626 1.00 0.00 H new ATOM 486 N LYS A 33 0.441 -14.152 1.504 1.00 0.00 N ATOM 487 CA LYS A 33 -0.052 -15.395 2.086 1.00 0.00 C ATOM 488 C LYS A 33 -1.156 -15.119 3.103 1.00 0.00 C ATOM 489 O LYS A 33 -2.159 -15.830 3.153 1.00 0.00 O ATOM 490 CB LYS A 33 1.093 -16.158 2.755 1.00 0.00 C ATOM 491 CG LYS A 33 0.898 -17.665 2.761 1.00 0.00 C ATOM 492 CD LYS A 33 2.139 -18.386 3.260 1.00 0.00 C ATOM 493 CE LYS A 33 2.264 -19.771 2.644 1.00 0.00 C ATOM 494 NZ LYS A 33 3.027 -19.742 1.365 1.00 0.00 N ATOM 0 H LYS A 33 1.450 -14.023 1.579 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.466 -16.004 1.283 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.025 -15.923 2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.199 -15.810 3.782 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.048 -17.920 3.394 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.658 -18.006 1.754 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.025 -17.798 3.019 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.099 -18.472 4.346 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.761 -20.438 3.348 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.270 -20.180 2.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.090 -20.705 0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.540 -19.125 0.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.984 -19.376 1.540 1.00 0.00 H new ATOM 508 N LYS A 34 -0.964 -14.082 3.910 1.00 0.00 N ATOM 509 CA LYS A 34 -1.944 -13.709 4.924 1.00 0.00 C ATOM 510 C LYS A 34 -3.225 -13.192 4.278 1.00 0.00 C ATOM 511 O LYS A 34 -4.326 -13.611 4.638 1.00 0.00 O ATOM 512 CB LYS A 34 -1.363 -12.643 5.856 1.00 0.00 C ATOM 513 CG LYS A 34 -2.283 -12.278 7.009 1.00 0.00 C ATOM 514 CD LYS A 34 -1.746 -11.095 7.797 1.00 0.00 C ATOM 515 CE LYS A 34 -2.868 -10.307 8.453 1.00 0.00 C ATOM 516 NZ LYS A 34 -2.375 -9.040 9.061 1.00 0.00 N ATOM 0 H LYS A 34 -0.138 -13.484 3.882 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.185 -14.599 5.506 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.415 -13.001 6.258 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.146 -11.745 5.277 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.274 -12.040 6.623 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.396 -13.136 7.671 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.054 -11.449 8.561 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.180 -10.441 7.133 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.634 -10.080 7.711 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.340 -10.919 9.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.588 -9.038 10.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.347 -8.965 8.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.845 -8.231 8.607 1.00 0.00 H new ATOM 530 N TYR A 35 -3.075 -12.281 3.323 1.00 0.00 N ATOM 531 CA TYR A 35 -4.220 -11.706 2.628 1.00 0.00 C ATOM 532 C TYR A 35 -4.512 -12.467 1.338 1.00 0.00 C ATOM 533 O TYR A 35 -4.932 -11.881 0.339 1.00 0.00 O ATOM 534 CB TYR A 35 -3.966 -10.230 2.317 1.00 0.00 C ATOM 535 CG TYR A 35 -3.920 -9.352 3.546 1.00 0.00 C ATOM 536 CD1 TYR A 35 -5.087 -8.847 4.108 1.00 0.00 C ATOM 537 CD2 TYR A 35 -2.710 -9.025 4.146 1.00 0.00 C ATOM 538 CE1 TYR A 35 -5.050 -8.043 5.231 1.00 0.00 C ATOM 539 CE2 TYR A 35 -2.664 -8.224 5.270 1.00 0.00 C ATOM 540 CZ TYR A 35 -3.836 -7.735 5.809 1.00 0.00 C ATOM 541 OH TYR A 35 -3.794 -6.935 6.927 1.00 0.00 O ATOM 0 H TYR A 35 -2.171 -11.925 3.012 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.089 -11.788 3.281 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.022 -10.138 1.779 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.749 -9.868 1.651 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -6.039 -9.087 3.659 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.790 -9.404 3.726 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.966 -7.658 5.654 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.715 -7.982 5.725 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.863 -6.816 7.209 1.00 0.00 H new ATOM 551 N HIS A 36 -4.287 -13.776 1.366 1.00 0.00 N ATOM 552 CA HIS A 36 -4.526 -14.619 0.200 1.00 0.00 C ATOM 553 C HIS A 36 -6.022 -14.814 -0.031 1.00 0.00 C ATOM 554 O HIS A 36 -6.802 -14.986 0.905 1.00 0.00 O ATOM 555 CB HIS A 36 -3.845 -15.976 0.377 1.00 0.00 C ATOM 556 CG HIS A 36 -3.492 -16.642 -0.917 1.00 0.00 C ATOM 557 ND1 HIS A 36 -4.098 -17.799 -1.359 1.00 0.00 N ATOM 558 CD2 HIS A 36 -2.589 -16.306 -1.869 1.00 0.00 C ATOM 559 CE1 HIS A 36 -3.582 -18.147 -2.524 1.00 0.00 C ATOM 560 NE2 HIS A 36 -2.665 -17.256 -2.856 1.00 0.00 N ATOM 0 H HIS A 36 -3.939 -14.277 2.184 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.103 -14.120 -0.672 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -2.938 -15.844 0.967 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.503 -16.632 0.946 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -1.931 -15.449 -1.854 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -3.862 -19.013 -3.106 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.104 -17.272 -3.708 1.00 0.00 H new ATOM 568 N PRO A 37 -6.432 -14.785 -1.308 1.00 0.00 N ATOM 569 CA PRO A 37 -7.837 -14.956 -1.692 1.00 0.00 C ATOM 570 C PRO A 37 -8.331 -16.380 -1.463 1.00 0.00 C ATOM 571 O PRO A 37 -9.518 -16.605 -1.226 1.00 0.00 O ATOM 572 CB PRO A 37 -7.839 -14.624 -3.186 1.00 0.00 C ATOM 573 CG PRO A 37 -6.449 -14.911 -3.640 1.00 0.00 C ATOM 574 CD PRO A 37 -5.557 -14.584 -2.475 1.00 0.00 C ATOM 0 HA PRO A 37 -8.501 -14.326 -1.100 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.565 -15.232 -3.726 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.105 -13.581 -3.359 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.342 -15.956 -3.932 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.191 -14.308 -4.511 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.685 -15.237 -2.441 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.186 -13.560 -2.528 1.00 0.00 H new ATOM 582 N ASP A 38 -7.414 -17.339 -1.534 1.00 0.00 N ATOM 583 CA ASP A 38 -7.756 -18.742 -1.332 1.00 0.00 C ATOM 584 C ASP A 38 -8.334 -18.965 0.062 1.00 0.00 C ATOM 585 O ASP A 38 -9.407 -19.550 0.215 1.00 0.00 O ATOM 586 CB ASP A 38 -6.523 -19.624 -1.534 1.00 0.00 C ATOM 587 CG ASP A 38 -6.886 -21.057 -1.870 1.00 0.00 C ATOM 588 OD1 ASP A 38 -7.879 -21.565 -1.309 1.00 0.00 O ATOM 589 OD2 ASP A 38 -6.176 -21.672 -2.694 1.00 0.00 O ATOM 0 H ASP A 38 -6.427 -17.170 -1.730 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.513 -19.016 -2.067 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.911 -19.210 -2.335 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.916 -19.609 -0.629 1.00 0.00 H new ATOM 594 N THR A 39 -7.616 -18.495 1.077 1.00 0.00 N ATOM 595 CA THR A 39 -8.055 -18.646 2.458 1.00 0.00 C ATOM 596 C THR A 39 -9.134 -17.626 2.806 1.00 0.00 C ATOM 597 O THR A 39 -9.936 -17.842 3.713 1.00 0.00 O ATOM 598 CB THR A 39 -6.880 -18.489 3.442 1.00 0.00 C ATOM 599 OG1 THR A 39 -6.179 -17.269 3.177 1.00 0.00 O ATOM 600 CG2 THR A 39 -5.922 -19.665 3.333 1.00 0.00 C ATOM 0 H THR A 39 -6.727 -18.006 0.968 1.00 0.00 H new ATOM 0 HA THR A 39 -8.465 -19.652 2.551 1.00 0.00 H new ATOM 0 HB THR A 39 -7.283 -18.463 4.454 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.435 -17.176 3.808 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.101 -19.532 4.037 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.452 -20.589 3.564 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.525 -19.719 2.319 1.00 0.00 H new ATOM 608 N ASN A 40 -9.147 -16.514 2.078 1.00 0.00 N ATOM 609 CA ASN A 40 -10.128 -15.460 2.310 1.00 0.00 C ATOM 610 C ASN A 40 -11.348 -15.645 1.412 1.00 0.00 C ATOM 611 O ASN A 40 -11.409 -15.100 0.309 1.00 0.00 O ATOM 612 CB ASN A 40 -9.501 -14.087 2.062 1.00 0.00 C ATOM 613 CG ASN A 40 -8.742 -13.571 3.269 1.00 0.00 C ATOM 614 OD1 ASN A 40 -9.341 -13.131 4.251 1.00 0.00 O ATOM 615 ND2 ASN A 40 -7.417 -13.623 3.202 1.00 0.00 N ATOM 0 H ASN A 40 -8.490 -16.320 1.323 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.451 -15.521 3.349 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.824 -14.148 1.210 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.283 -13.376 1.797 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.853 -13.290 3.984 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -6.963 -13.996 2.368 1.00 0.00 H new ATOM 622 N LYS A 41 -12.317 -16.416 1.891 1.00 0.00 N ATOM 623 CA LYS A 41 -13.537 -16.672 1.134 1.00 0.00 C ATOM 624 C LYS A 41 -14.616 -15.651 1.479 1.00 0.00 C ATOM 625 O LYS A 41 -15.160 -14.987 0.596 1.00 0.00 O ATOM 626 CB LYS A 41 -14.050 -18.086 1.417 1.00 0.00 C ATOM 627 CG LYS A 41 -13.056 -19.177 1.055 1.00 0.00 C ATOM 628 CD LYS A 41 -12.875 -19.290 -0.449 1.00 0.00 C ATOM 629 CE LYS A 41 -13.892 -20.239 -1.064 1.00 0.00 C ATOM 630 NZ LYS A 41 -14.076 -19.988 -2.520 1.00 0.00 N ATOM 0 H LYS A 41 -12.282 -16.875 2.801 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.302 -16.582 0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.298 -18.169 2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.973 -18.247 0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.095 -18.965 1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.401 -20.131 1.454 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.975 -18.304 -0.903 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.867 -19.642 -0.670 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.567 -21.268 -0.911 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.848 -20.128 -0.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.777 -20.655 -2.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.411 -19.014 -2.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.169 -20.119 -3.012 1.00 0.00 H new ATOM 644 N ASP A 42 -14.919 -15.529 2.766 1.00 0.00 N ATOM 645 CA ASP A 42 -15.932 -14.586 3.227 1.00 0.00 C ATOM 646 C ASP A 42 -15.330 -13.198 3.428 1.00 0.00 C ATOM 647 O ASP A 42 -15.846 -12.394 4.204 1.00 0.00 O ATOM 648 CB ASP A 42 -16.560 -15.077 4.532 1.00 0.00 C ATOM 649 CG ASP A 42 -17.726 -16.017 4.296 1.00 0.00 C ATOM 650 OD1 ASP A 42 -18.460 -15.813 3.306 1.00 0.00 O ATOM 651 OD2 ASP A 42 -17.905 -16.955 5.100 1.00 0.00 O ATOM 0 H ASP A 42 -14.478 -16.071 3.509 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.707 -14.520 2.463 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -15.802 -15.586 5.128 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.900 -14.220 5.113 1.00 0.00 H new ATOM 656 N ASP A 43 -14.236 -12.926 2.726 1.00 0.00 N ATOM 657 CA ASP A 43 -13.564 -11.636 2.827 1.00 0.00 C ATOM 658 C ASP A 43 -13.467 -10.965 1.461 1.00 0.00 C ATOM 659 O ASP A 43 -12.492 -11.130 0.728 1.00 0.00 O ATOM 660 CB ASP A 43 -12.166 -11.810 3.423 1.00 0.00 C ATOM 661 CG ASP A 43 -11.716 -10.594 4.209 1.00 0.00 C ATOM 662 OD1 ASP A 43 -12.565 -9.977 4.884 1.00 0.00 O ATOM 663 OD2 ASP A 43 -10.514 -10.260 4.148 1.00 0.00 O ATOM 0 H ASP A 43 -13.795 -13.582 2.081 1.00 0.00 H new ATOM 0 HA ASP A 43 -14.154 -10.998 3.484 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.158 -12.684 4.075 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.454 -12.004 2.621 1.00 0.00 H new ATOM 668 N PRO A 44 -14.503 -10.189 1.107 1.00 0.00 N ATOM 669 CA PRO A 44 -14.559 -9.478 -0.173 1.00 0.00 C ATOM 670 C PRO A 44 -13.552 -8.335 -0.246 1.00 0.00 C ATOM 671 O PRO A 44 -13.123 -7.940 -1.330 1.00 0.00 O ATOM 672 CB PRO A 44 -15.989 -8.934 -0.215 1.00 0.00 C ATOM 673 CG PRO A 44 -16.394 -8.822 1.214 1.00 0.00 C ATOM 674 CD PRO A 44 -15.699 -9.947 1.931 1.00 0.00 C ATOM 0 HA PRO A 44 -14.311 -10.129 -1.011 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -16.030 -7.966 -0.715 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.652 -9.604 -0.763 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -16.103 -7.857 1.628 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -17.476 -8.901 1.320 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.435 -9.671 2.952 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -16.330 -10.834 1.994 1.00 0.00 H new ATOM 682 N LYS A 45 -13.179 -7.807 0.915 1.00 0.00 N ATOM 683 CA LYS A 45 -12.221 -6.710 0.984 1.00 0.00 C ATOM 684 C LYS A 45 -10.835 -7.169 0.542 1.00 0.00 C ATOM 685 O LYS A 45 -10.110 -6.431 -0.124 1.00 0.00 O ATOM 686 CB LYS A 45 -12.155 -6.153 2.408 1.00 0.00 C ATOM 687 CG LYS A 45 -13.430 -5.454 2.847 1.00 0.00 C ATOM 688 CD LYS A 45 -13.453 -4.002 2.401 1.00 0.00 C ATOM 689 CE LYS A 45 -12.664 -3.115 3.352 1.00 0.00 C ATOM 690 NZ LYS A 45 -12.119 -1.912 2.664 1.00 0.00 N ATOM 0 H LYS A 45 -13.526 -8.121 1.821 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.557 -5.924 0.308 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.941 -6.969 3.099 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.324 -5.451 2.477 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.293 -5.976 2.433 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.518 -5.503 3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.036 -3.922 1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.484 -3.653 2.347 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.307 -2.803 4.175 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.845 -3.687 3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.588 -1.333 3.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.486 -2.209 1.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.902 -1.352 2.271 1.00 0.00 H new ATOM 704 N ALA A 46 -10.475 -8.393 0.915 1.00 0.00 N ATOM 705 CA ALA A 46 -9.178 -8.951 0.553 1.00 0.00 C ATOM 706 C ALA A 46 -8.863 -8.700 -0.918 1.00 0.00 C ATOM 707 O ALA A 46 -7.726 -8.394 -1.276 1.00 0.00 O ATOM 708 CB ALA A 46 -9.142 -10.441 0.856 1.00 0.00 C ATOM 0 H ALA A 46 -11.063 -9.017 1.468 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.416 -8.451 1.151 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.168 -10.845 0.581 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.313 -10.600 1.921 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.919 -10.948 0.284 1.00 0.00 H new ATOM 714 N LYS A 47 -9.877 -8.833 -1.766 1.00 0.00 N ATOM 715 CA LYS A 47 -9.710 -8.621 -3.198 1.00 0.00 C ATOM 716 C LYS A 47 -9.052 -7.273 -3.475 1.00 0.00 C ATOM 717 O LYS A 47 -8.266 -7.137 -4.413 1.00 0.00 O ATOM 718 CB LYS A 47 -11.064 -8.695 -3.908 1.00 0.00 C ATOM 719 CG LYS A 47 -10.985 -8.422 -5.400 1.00 0.00 C ATOM 720 CD LYS A 47 -12.365 -8.235 -6.006 1.00 0.00 C ATOM 721 CE LYS A 47 -12.899 -6.833 -5.754 1.00 0.00 C ATOM 722 NZ LYS A 47 -12.206 -5.816 -6.594 1.00 0.00 N ATOM 0 H LYS A 47 -10.824 -9.087 -1.485 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.062 -9.408 -3.583 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.494 -9.684 -3.751 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.744 -7.976 -3.451 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.385 -7.529 -5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.478 -9.250 -5.896 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.321 -8.421 -7.079 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.052 -8.968 -5.583 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.969 -6.809 -5.963 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.774 -6.581 -4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.743 -4.926 -6.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.250 -5.651 -6.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.141 -6.161 -7.573 1.00 0.00 H new ATOM 736 N GLU A 48 -9.378 -6.280 -2.653 1.00 0.00 N ATOM 737 CA GLU A 48 -8.817 -4.943 -2.811 1.00 0.00 C ATOM 738 C GLU A 48 -7.420 -4.864 -2.202 1.00 0.00 C ATOM 739 O GLU A 48 -6.506 -4.283 -2.789 1.00 0.00 O ATOM 740 CB GLU A 48 -9.729 -3.903 -2.157 1.00 0.00 C ATOM 741 CG GLU A 48 -9.031 -2.590 -1.847 1.00 0.00 C ATOM 742 CD GLU A 48 -9.978 -1.406 -1.868 1.00 0.00 C ATOM 743 OE1 GLU A 48 -10.862 -1.368 -2.749 1.00 0.00 O ATOM 744 OE2 GLU A 48 -9.835 -0.518 -1.002 1.00 0.00 O ATOM 0 H GLU A 48 -10.027 -6.376 -1.872 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.743 -4.732 -3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.575 -3.708 -2.816 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.134 -4.317 -1.233 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.560 -2.656 -0.866 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.235 -2.426 -2.573 1.00 0.00 H new ATOM 751 N LYS A 49 -7.261 -5.452 -1.021 1.00 0.00 N ATOM 752 CA LYS A 49 -5.976 -5.450 -0.332 1.00 0.00 C ATOM 753 C LYS A 49 -4.913 -6.163 -1.161 1.00 0.00 C ATOM 754 O LYS A 49 -3.882 -5.581 -1.500 1.00 0.00 O ATOM 755 CB LYS A 49 -6.108 -6.123 1.037 1.00 0.00 C ATOM 756 CG LYS A 49 -6.468 -5.161 2.155 1.00 0.00 C ATOM 757 CD LYS A 49 -7.973 -5.051 2.334 1.00 0.00 C ATOM 758 CE LYS A 49 -8.492 -6.074 3.332 1.00 0.00 C ATOM 759 NZ LYS A 49 -9.693 -5.579 4.061 1.00 0.00 N ATOM 0 H LYS A 49 -8.007 -5.936 -0.521 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.668 -4.414 -0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.870 -6.900 0.978 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.167 -6.616 1.282 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.014 -5.498 3.087 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.054 -4.177 1.937 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.227 -4.047 2.675 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.466 -5.196 1.373 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.740 -6.998 2.809 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.706 -6.314 4.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.385 -6.350 4.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.413 -5.249 5.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.121 -4.792 3.532 1.00 0.00 H new ATOM 773 N PHE A 50 -5.170 -7.426 -1.485 1.00 0.00 N ATOM 774 CA PHE A 50 -4.234 -8.218 -2.275 1.00 0.00 C ATOM 775 C PHE A 50 -3.701 -7.413 -3.456 1.00 0.00 C ATOM 776 O PHE A 50 -2.514 -7.469 -3.774 1.00 0.00 O ATOM 777 CB PHE A 50 -4.912 -9.495 -2.778 1.00 0.00 C ATOM 778 CG PHE A 50 -3.943 -10.560 -3.203 1.00 0.00 C ATOM 779 CD1 PHE A 50 -3.069 -11.126 -2.288 1.00 0.00 C ATOM 780 CD2 PHE A 50 -3.906 -10.997 -4.517 1.00 0.00 C ATOM 781 CE1 PHE A 50 -2.176 -12.106 -2.677 1.00 0.00 C ATOM 782 CE2 PHE A 50 -3.015 -11.978 -4.912 1.00 0.00 C ATOM 783 CZ PHE A 50 -2.150 -12.533 -3.990 1.00 0.00 C ATOM 0 H PHE A 50 -6.018 -7.923 -1.213 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.395 -8.488 -1.634 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.553 -9.891 -1.990 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.558 -9.246 -3.620 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.086 -10.797 -1.259 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.581 -10.566 -5.242 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.499 -12.538 -1.955 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.996 -12.309 -5.940 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.454 -13.300 -4.295 1.00 0.00 H new ATOM 793 N SER A 51 -4.589 -6.664 -4.102 1.00 0.00 N ATOM 794 CA SER A 51 -4.210 -5.850 -5.251 1.00 0.00 C ATOM 795 C SER A 51 -3.120 -4.851 -4.874 1.00 0.00 C ATOM 796 O SER A 51 -2.172 -4.638 -5.628 1.00 0.00 O ATOM 797 CB SER A 51 -5.429 -5.107 -5.801 1.00 0.00 C ATOM 798 OG SER A 51 -6.150 -5.915 -6.715 1.00 0.00 O ATOM 0 H SER A 51 -5.575 -6.604 -3.849 1.00 0.00 H new ATOM 0 HA SER A 51 -3.819 -6.514 -6.022 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.081 -4.813 -4.978 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.107 -4.191 -6.296 1.00 0.00 H new ATOM 0 HG SER A 51 -6.925 -5.418 -7.051 1.00 0.00 H new ATOM 804 N GLN A 52 -3.263 -4.244 -3.700 1.00 0.00 N ATOM 805 CA GLN A 52 -2.291 -3.267 -3.222 1.00 0.00 C ATOM 806 C GLN A 52 -0.982 -3.947 -2.836 1.00 0.00 C ATOM 807 O GLN A 52 0.098 -3.382 -3.009 1.00 0.00 O ATOM 808 CB GLN A 52 -2.855 -2.500 -2.025 1.00 0.00 C ATOM 809 CG GLN A 52 -4.015 -1.584 -2.380 1.00 0.00 C ATOM 810 CD GLN A 52 -3.609 -0.468 -3.322 1.00 0.00 C ATOM 811 OE1 GLN A 52 -2.443 -0.349 -3.697 1.00 0.00 O ATOM 812 NE2 GLN A 52 -4.573 0.359 -3.710 1.00 0.00 N ATOM 0 H GLN A 52 -4.042 -4.411 -3.063 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.089 -2.565 -4.031 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.185 -3.213 -1.270 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.058 -1.906 -1.577 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.810 -2.172 -2.840 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.425 -1.153 -1.467 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.527 0.224 -3.375 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.360 1.129 -4.343 1.00 0.00 H new ATOM 821 N LEU A 53 -1.085 -5.163 -2.311 1.00 0.00 N ATOM 822 CA LEU A 53 0.091 -5.921 -1.899 1.00 0.00 C ATOM 823 C LEU A 53 0.975 -6.248 -3.097 1.00 0.00 C ATOM 824 O LEU A 53 2.182 -6.006 -3.076 1.00 0.00 O ATOM 825 CB LEU A 53 -0.330 -7.211 -1.194 1.00 0.00 C ATOM 826 CG LEU A 53 -0.801 -7.063 0.254 1.00 0.00 C ATOM 827 CD1 LEU A 53 -1.216 -8.411 0.821 1.00 0.00 C ATOM 828 CD2 LEU A 53 0.292 -6.437 1.108 1.00 0.00 C ATOM 0 H LEU A 53 -1.971 -5.645 -2.161 1.00 0.00 H new ATOM 0 HA LEU A 53 0.664 -5.306 -1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.132 -7.671 -1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.512 -7.903 -1.212 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.669 -6.404 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.548 -8.286 1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.031 -8.821 0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.367 -9.094 0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.060 -6.339 2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.178 -7.071 1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.542 -5.452 0.715 1.00 0.00 H new ATOM 840 N ALA A 54 0.366 -6.798 -4.143 1.00 0.00 N ATOM 841 CA ALA A 54 1.097 -7.155 -5.352 1.00 0.00 C ATOM 842 C ALA A 54 1.702 -5.920 -6.013 1.00 0.00 C ATOM 843 O ALA A 54 2.896 -5.885 -6.307 1.00 0.00 O ATOM 844 CB ALA A 54 0.183 -7.882 -6.327 1.00 0.00 C ATOM 0 H ALA A 54 -0.632 -7.006 -4.177 1.00 0.00 H new ATOM 0 HA ALA A 54 1.912 -7.821 -5.070 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.743 -8.142 -7.225 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.198 -8.791 -5.860 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.652 -7.235 -6.595 1.00 0.00 H new ATOM 850 N GLU A 55 0.869 -4.910 -6.243 1.00 0.00 N ATOM 851 CA GLU A 55 1.322 -3.674 -6.870 1.00 0.00 C ATOM 852 C GLU A 55 2.548 -3.117 -6.151 1.00 0.00 C ATOM 853 O GLU A 55 3.505 -2.674 -6.785 1.00 0.00 O ATOM 854 CB GLU A 55 0.200 -2.634 -6.870 1.00 0.00 C ATOM 855 CG GLU A 55 0.446 -1.474 -7.819 1.00 0.00 C ATOM 856 CD GLU A 55 -0.791 -0.623 -8.032 1.00 0.00 C ATOM 857 OE1 GLU A 55 -1.675 -1.043 -8.808 1.00 0.00 O ATOM 858 OE2 GLU A 55 -0.875 0.464 -7.423 1.00 0.00 O ATOM 0 H GLU A 55 -0.123 -4.923 -6.005 1.00 0.00 H new ATOM 0 HA GLU A 55 1.598 -3.899 -7.900 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.736 -3.122 -7.141 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.076 -2.246 -5.859 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.248 -0.850 -7.424 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.786 -1.861 -8.780 1.00 0.00 H new ATOM 865 N ALA A 56 2.509 -3.143 -4.822 1.00 0.00 N ATOM 866 CA ALA A 56 3.616 -2.642 -4.016 1.00 0.00 C ATOM 867 C ALA A 56 4.912 -3.374 -4.348 1.00 0.00 C ATOM 868 O ALA A 56 5.969 -2.756 -4.477 1.00 0.00 O ATOM 869 CB ALA A 56 3.294 -2.780 -2.536 1.00 0.00 C ATOM 0 H ALA A 56 1.723 -3.505 -4.282 1.00 0.00 H new ATOM 0 HA ALA A 56 3.756 -1.587 -4.250 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.129 -2.402 -1.945 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.396 -2.207 -2.304 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.126 -3.830 -2.297 1.00 0.00 H new ATOM 875 N TYR A 57 4.823 -4.692 -4.485 1.00 0.00 N ATOM 876 CA TYR A 57 5.990 -5.508 -4.799 1.00 0.00 C ATOM 877 C TYR A 57 6.470 -5.247 -6.223 1.00 0.00 C ATOM 878 O TYR A 57 7.665 -5.082 -6.466 1.00 0.00 O ATOM 879 CB TYR A 57 5.663 -6.992 -4.624 1.00 0.00 C ATOM 880 CG TYR A 57 6.733 -7.915 -5.160 1.00 0.00 C ATOM 881 CD1 TYR A 57 7.912 -8.128 -4.456 1.00 0.00 C ATOM 882 CD2 TYR A 57 6.565 -8.576 -6.371 1.00 0.00 C ATOM 883 CE1 TYR A 57 8.893 -8.970 -4.943 1.00 0.00 C ATOM 884 CE2 TYR A 57 7.540 -9.422 -6.865 1.00 0.00 C ATOM 885 CZ TYR A 57 8.702 -9.615 -6.147 1.00 0.00 C ATOM 886 OH TYR A 57 9.676 -10.456 -6.635 1.00 0.00 O ATOM 0 H TYR A 57 3.955 -5.218 -4.384 1.00 0.00 H new ATOM 0 HA TYR A 57 6.789 -5.235 -4.109 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.513 -7.200 -3.565 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.721 -7.210 -5.128 1.00 0.00 H new ATOM 0 HD1 TYR A 57 8.064 -7.627 -3.512 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.657 -8.426 -6.936 1.00 0.00 H new ATOM 0 HE1 TYR A 57 9.804 -9.122 -4.384 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.393 -9.929 -7.807 1.00 0.00 H new ATOM 0 HH TYR A 57 9.385 -10.831 -7.492 1.00 0.00 H new ATOM 896 N GLU A 58 5.529 -5.209 -7.161 1.00 0.00 N ATOM 897 CA GLU A 58 5.855 -4.968 -8.562 1.00 0.00 C ATOM 898 C GLU A 58 6.570 -3.630 -8.731 1.00 0.00 C ATOM 899 O GLU A 58 7.623 -3.552 -9.363 1.00 0.00 O ATOM 900 CB GLU A 58 4.586 -4.992 -9.416 1.00 0.00 C ATOM 901 CG GLU A 58 4.849 -4.817 -10.902 1.00 0.00 C ATOM 902 CD GLU A 58 3.584 -4.905 -11.733 1.00 0.00 C ATOM 903 OE1 GLU A 58 2.759 -3.970 -11.659 1.00 0.00 O ATOM 904 OE2 GLU A 58 3.418 -5.909 -12.457 1.00 0.00 O ATOM 0 H GLU A 58 4.535 -5.342 -6.976 1.00 0.00 H new ATOM 0 HA GLU A 58 6.523 -5.763 -8.895 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.068 -5.938 -9.256 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.916 -4.201 -9.079 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.324 -3.851 -11.072 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.552 -5.581 -11.235 1.00 0.00 H new ATOM 911 N VAL A 59 5.989 -2.579 -8.161 1.00 0.00 N ATOM 912 CA VAL A 59 6.569 -1.244 -8.248 1.00 0.00 C ATOM 913 C VAL A 59 7.971 -1.215 -7.651 1.00 0.00 C ATOM 914 O VAL A 59 8.946 -0.916 -8.342 1.00 0.00 O ATOM 915 CB VAL A 59 5.693 -0.203 -7.525 1.00 0.00 C ATOM 916 CG1 VAL A 59 6.347 1.169 -7.571 1.00 0.00 C ATOM 917 CG2 VAL A 59 4.302 -0.161 -8.138 1.00 0.00 C ATOM 0 H VAL A 59 5.117 -2.626 -7.634 1.00 0.00 H new ATOM 0 HA VAL A 59 6.622 -0.990 -9.307 1.00 0.00 H new ATOM 0 HB VAL A 59 5.596 -0.497 -6.480 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.714 1.891 -7.055 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.320 1.125 -7.082 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.476 1.476 -8.609 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.696 0.579 -7.615 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.377 0.109 -9.191 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.835 -1.142 -8.047 1.00 0.00 H new ATOM 927 N LEU A 60 8.067 -1.527 -6.363 1.00 0.00 N ATOM 928 CA LEU A 60 9.351 -1.538 -5.671 1.00 0.00 C ATOM 929 C LEU A 60 10.354 -2.426 -6.399 1.00 0.00 C ATOM 930 O LEU A 60 11.379 -1.951 -6.888 1.00 0.00 O ATOM 931 CB LEU A 60 9.173 -2.023 -4.232 1.00 0.00 C ATOM 932 CG LEU A 60 8.207 -1.214 -3.365 1.00 0.00 C ATOM 933 CD1 LEU A 60 7.884 -1.965 -2.083 1.00 0.00 C ATOM 934 CD2 LEU A 60 8.792 0.155 -3.051 1.00 0.00 C ATOM 0 H LEU A 60 7.270 -1.776 -5.777 1.00 0.00 H new ATOM 0 HA LEU A 60 9.738 -0.519 -5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.827 -3.056 -4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.149 -2.026 -3.747 1.00 0.00 H new ATOM 0 HG LEU A 60 7.281 -1.072 -3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.196 -1.374 -1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.423 -2.922 -2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.802 -2.138 -1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.091 0.717 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.733 0.034 -2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.971 0.696 -3.980 1.00 0.00 H new ATOM 946 N SER A 61 10.051 -3.719 -6.469 1.00 0.00 N ATOM 947 CA SER A 61 10.927 -4.674 -7.136 1.00 0.00 C ATOM 948 C SER A 61 11.485 -4.089 -8.430 1.00 0.00 C ATOM 949 O SER A 61 12.639 -4.328 -8.785 1.00 0.00 O ATOM 950 CB SER A 61 10.170 -5.970 -7.435 1.00 0.00 C ATOM 951 OG SER A 61 9.259 -5.793 -8.506 1.00 0.00 O ATOM 0 H SER A 61 9.205 -4.128 -6.072 1.00 0.00 H new ATOM 0 HA SER A 61 11.760 -4.893 -6.468 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.879 -6.760 -7.683 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.631 -6.294 -6.545 1.00 0.00 H new ATOM 0 HG SER A 61 8.483 -5.282 -8.194 1.00 0.00 H new ATOM 957 N ASP A 62 10.657 -3.321 -9.130 1.00 0.00 N ATOM 958 CA ASP A 62 11.067 -2.700 -10.384 1.00 0.00 C ATOM 959 C ASP A 62 11.915 -1.458 -10.124 1.00 0.00 C ATOM 960 O ASP A 62 11.409 -0.437 -9.659 1.00 0.00 O ATOM 961 CB ASP A 62 9.840 -2.329 -11.218 1.00 0.00 C ATOM 962 CG ASP A 62 9.446 -3.426 -12.187 1.00 0.00 C ATOM 963 OD1 ASP A 62 10.350 -4.118 -12.699 1.00 0.00 O ATOM 964 OD2 ASP A 62 8.233 -3.592 -12.434 1.00 0.00 O ATOM 0 H ASP A 62 9.698 -3.114 -8.850 1.00 0.00 H new ATOM 0 HA ASP A 62 11.670 -3.420 -10.938 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.003 -2.118 -10.553 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.045 -1.414 -11.773 1.00 0.00 H new ATOM 969 N GLU A 63 13.206 -1.556 -10.425 1.00 0.00 N ATOM 970 CA GLU A 63 14.123 -0.441 -10.222 1.00 0.00 C ATOM 971 C GLU A 63 13.565 0.841 -10.832 1.00 0.00 C ATOM 972 O GLU A 63 13.740 1.930 -10.284 1.00 0.00 O ATOM 973 CB GLU A 63 15.489 -0.757 -10.834 1.00 0.00 C ATOM 974 CG GLU A 63 15.405 -1.444 -12.187 1.00 0.00 C ATOM 975 CD GLU A 63 16.736 -1.463 -12.915 1.00 0.00 C ATOM 976 OE1 GLU A 63 17.541 -2.381 -12.655 1.00 0.00 O ATOM 977 OE2 GLU A 63 16.971 -0.559 -13.744 1.00 0.00 O ATOM 0 H GLU A 63 13.640 -2.395 -10.810 1.00 0.00 H new ATOM 0 HA GLU A 63 14.239 -0.291 -9.149 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.053 0.170 -10.941 1.00 0.00 H new ATOM 0 HB3 GLU A 63 16.047 -1.393 -10.147 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.055 -2.467 -12.050 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.665 -0.934 -12.804 1.00 0.00 H new ATOM 984 N VAL A 64 12.892 0.704 -11.970 1.00 0.00 N ATOM 985 CA VAL A 64 12.307 1.851 -12.655 1.00 0.00 C ATOM 986 C VAL A 64 11.057 2.342 -11.935 1.00 0.00 C ATOM 987 O VAL A 64 11.023 3.459 -11.418 1.00 0.00 O ATOM 988 CB VAL A 64 11.945 1.509 -14.113 1.00 0.00 C ATOM 989 CG1 VAL A 64 11.206 2.667 -14.766 1.00 0.00 C ATOM 990 CG2 VAL A 64 13.196 1.151 -14.902 1.00 0.00 C ATOM 0 H VAL A 64 12.738 -0.190 -12.437 1.00 0.00 H new ATOM 0 HA VAL A 64 13.059 2.640 -12.650 1.00 0.00 H new ATOM 0 HB VAL A 64 11.284 0.643 -14.111 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.959 2.407 -15.795 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.289 2.872 -14.213 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.840 3.554 -14.758 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.922 0.912 -15.930 1.00 0.00 H new ATOM 0 HG22 VAL A 64 13.884 1.997 -14.897 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.679 0.287 -14.445 1.00 0.00 H new ATOM 1000 N LYS A 65 10.029 1.500 -11.904 1.00 0.00 N ATOM 1001 CA LYS A 65 8.775 1.847 -11.245 1.00 0.00 C ATOM 1002 C LYS A 65 9.032 2.444 -9.865 1.00 0.00 C ATOM 1003 O LYS A 65 8.397 3.422 -9.473 1.00 0.00 O ATOM 1004 CB LYS A 65 7.883 0.610 -11.119 1.00 0.00 C ATOM 1005 CG LYS A 65 7.577 -0.057 -12.449 1.00 0.00 C ATOM 1006 CD LYS A 65 6.295 -0.870 -12.384 1.00 0.00 C ATOM 1007 CE LYS A 65 5.072 -0.005 -12.646 1.00 0.00 C ATOM 1008 NZ LYS A 65 4.735 0.055 -14.095 1.00 0.00 N ATOM 0 H LYS A 65 10.040 0.572 -12.328 1.00 0.00 H new ATOM 0 HA LYS A 65 8.267 2.594 -11.855 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.369 -0.112 -10.463 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.946 0.895 -10.641 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.488 0.702 -13.226 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.406 -0.706 -12.731 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.336 -1.675 -13.117 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.208 -1.337 -11.403 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.221 -0.401 -12.091 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.254 1.003 -12.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.896 0.654 -14.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.537 0.457 -14.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.537 -0.904 -14.445 1.00 0.00 H new ATOM 1022 N ARG A 66 9.969 1.849 -9.133 1.00 0.00 N ATOM 1023 CA ARG A 66 10.310 2.322 -7.797 1.00 0.00 C ATOM 1024 C ARG A 66 10.720 3.791 -7.829 1.00 0.00 C ATOM 1025 O ARG A 66 10.102 4.634 -7.179 1.00 0.00 O ATOM 1026 CB ARG A 66 11.441 1.478 -7.207 1.00 0.00 C ATOM 1027 CG ARG A 66 11.615 1.656 -5.707 1.00 0.00 C ATOM 1028 CD ARG A 66 12.829 0.897 -5.194 1.00 0.00 C ATOM 1029 NE ARG A 66 12.852 0.825 -3.735 1.00 0.00 N ATOM 1030 CZ ARG A 66 13.577 -0.056 -3.055 1.00 0.00 C ATOM 1031 NH1 ARG A 66 14.335 -0.934 -3.698 1.00 0.00 N ATOM 1032 NH2 ARG A 66 13.546 -0.059 -1.728 1.00 0.00 N ATOM 0 H ARG A 66 10.505 1.039 -9.443 1.00 0.00 H new ATOM 0 HA ARG A 66 9.426 2.223 -7.167 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.247 0.427 -7.420 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.375 1.737 -7.706 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.722 2.716 -5.475 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.721 1.306 -5.192 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.827 -0.112 -5.607 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.738 1.385 -5.547 1.00 0.00 H new ATOM 0 HE ARG A 66 12.280 1.487 -3.210 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.362 -0.934 -4.718 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.891 -1.609 -3.173 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.965 0.615 -1.230 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.103 -0.736 -1.206 1.00 0.00 H new ATOM 1046 N LYS A 67 11.768 4.091 -8.589 1.00 0.00 N ATOM 1047 CA LYS A 67 12.262 5.458 -8.708 1.00 0.00 C ATOM 1048 C LYS A 67 11.108 6.439 -8.891 1.00 0.00 C ATOM 1049 O LYS A 67 11.097 7.515 -8.295 1.00 0.00 O ATOM 1050 CB LYS A 67 13.234 5.570 -9.884 1.00 0.00 C ATOM 1051 CG LYS A 67 14.665 5.208 -9.527 1.00 0.00 C ATOM 1052 CD LYS A 67 15.642 5.684 -10.590 1.00 0.00 C ATOM 1053 CE LYS A 67 15.962 7.162 -10.431 1.00 0.00 C ATOM 1054 NZ LYS A 67 16.560 7.460 -9.099 1.00 0.00 N ATOM 0 H LYS A 67 12.292 3.405 -9.132 1.00 0.00 H new ATOM 0 HA LYS A 67 12.787 5.710 -7.787 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.894 4.919 -10.689 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.211 6.590 -10.268 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.925 5.653 -8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.750 4.128 -9.411 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.562 5.103 -10.527 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.220 5.506 -11.579 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.652 7.471 -11.216 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.051 7.747 -10.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.408 8.049 -9.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.867 7.969 -8.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.822 6.570 -8.629 1.00 0.00 H new ATOM 1068 N GLN A 68 10.140 6.059 -9.719 1.00 0.00 N ATOM 1069 CA GLN A 68 8.982 6.906 -9.980 1.00 0.00 C ATOM 1070 C GLN A 68 8.130 7.065 -8.725 1.00 0.00 C ATOM 1071 O GLN A 68 7.630 8.152 -8.435 1.00 0.00 O ATOM 1072 CB GLN A 68 8.139 6.319 -11.112 1.00 0.00 C ATOM 1073 CG GLN A 68 8.763 6.489 -12.488 1.00 0.00 C ATOM 1074 CD GLN A 68 9.175 7.921 -12.768 1.00 0.00 C ATOM 1075 OE1 GLN A 68 8.334 8.779 -13.038 1.00 0.00 O ATOM 1076 NE2 GLN A 68 10.475 8.186 -12.706 1.00 0.00 N ATOM 0 H GLN A 68 10.135 5.171 -10.220 1.00 0.00 H new ATOM 0 HA GLN A 68 9.343 7.890 -10.279 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.981 5.257 -10.923 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.158 6.793 -11.106 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.636 5.841 -12.570 1.00 0.00 H new ATOM 0 HG3 GLN A 68 8.052 6.164 -13.248 1.00 0.00 H new ATOM 0 HE21 GLN A 68 11.137 7.444 -12.479 1.00 0.00 H new ATOM 0 HE22 GLN A 68 10.812 9.132 -12.886 1.00 0.00 H new ATOM 1085 N TYR A 69 7.969 5.975 -7.984 1.00 0.00 N ATOM 1086 CA TYR A 69 7.175 5.992 -6.761 1.00 0.00 C ATOM 1087 C TYR A 69 7.826 6.876 -5.701 1.00 0.00 C ATOM 1088 O TYR A 69 7.168 7.716 -5.087 1.00 0.00 O ATOM 1089 CB TYR A 69 7.001 4.572 -6.220 1.00 0.00 C ATOM 1090 CG TYR A 69 6.702 4.521 -4.739 1.00 0.00 C ATOM 1091 CD1 TYR A 69 5.664 5.266 -4.193 1.00 0.00 C ATOM 1092 CD2 TYR A 69 7.456 3.725 -3.885 1.00 0.00 C ATOM 1093 CE1 TYR A 69 5.388 5.223 -2.841 1.00 0.00 C ATOM 1094 CE2 TYR A 69 7.186 3.674 -2.531 1.00 0.00 C ATOM 1095 CZ TYR A 69 6.151 4.425 -2.014 1.00 0.00 C ATOM 1096 OH TYR A 69 5.878 4.378 -0.666 1.00 0.00 O ATOM 0 H TYR A 69 8.378 5.068 -8.209 1.00 0.00 H new ATOM 0 HA TYR A 69 6.195 6.404 -7.001 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.192 4.082 -6.762 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.909 4.003 -6.419 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.062 5.890 -4.838 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.267 3.136 -4.287 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.579 5.811 -2.433 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.782 3.050 -1.881 1.00 0.00 H new ATOM 0 HH TYR A 69 6.675 4.078 -0.181 1.00 0.00 H new ATOM 1106 N ASP A 70 9.124 6.680 -5.492 1.00 0.00 N ATOM 1107 CA ASP A 70 9.866 7.459 -4.509 1.00 0.00 C ATOM 1108 C ASP A 70 9.474 8.932 -4.574 1.00 0.00 C ATOM 1109 O ASP A 70 9.255 9.572 -3.546 1.00 0.00 O ATOM 1110 CB ASP A 70 11.371 7.308 -4.738 1.00 0.00 C ATOM 1111 CG ASP A 70 12.191 8.054 -3.704 1.00 0.00 C ATOM 1112 OD1 ASP A 70 11.964 7.836 -2.496 1.00 0.00 O ATOM 1113 OD2 ASP A 70 13.061 8.857 -4.103 1.00 0.00 O ATOM 0 H ASP A 70 9.683 5.988 -5.991 1.00 0.00 H new ATOM 0 HA ASP A 70 9.617 7.079 -3.518 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.635 6.251 -4.713 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.623 7.676 -5.732 1.00 0.00 H new ATOM 1118 N ALA A 71 9.390 9.463 -5.789 1.00 0.00 N ATOM 1119 CA ALA A 71 9.024 10.860 -5.988 1.00 0.00 C ATOM 1120 C ALA A 71 7.509 11.035 -5.995 1.00 0.00 C ATOM 1121 O ALA A 71 6.983 12.000 -5.440 1.00 0.00 O ATOM 1122 CB ALA A 71 9.623 11.383 -7.285 1.00 0.00 C ATOM 0 H ALA A 71 9.570 8.947 -6.650 1.00 0.00 H new ATOM 0 HA ALA A 71 9.427 11.437 -5.156 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.342 12.427 -7.421 1.00 0.00 H new ATOM 0 HB2 ALA A 71 10.709 11.303 -7.243 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.248 10.794 -8.122 1.00 0.00 H new ATOM 1128 N TYR A 72 6.813 10.096 -6.627 1.00 0.00 N ATOM 1129 CA TYR A 72 5.358 10.149 -6.709 1.00 0.00 C ATOM 1130 C TYR A 72 4.719 9.432 -5.523 1.00 0.00 C ATOM 1131 O TYR A 72 3.602 8.926 -5.617 1.00 0.00 O ATOM 1132 CB TYR A 72 4.877 9.521 -8.018 1.00 0.00 C ATOM 1133 CG TYR A 72 5.129 10.385 -9.232 1.00 0.00 C ATOM 1134 CD1 TYR A 72 6.420 10.747 -9.596 1.00 0.00 C ATOM 1135 CD2 TYR A 72 4.075 10.841 -10.016 1.00 0.00 C ATOM 1136 CE1 TYR A 72 6.655 11.537 -10.705 1.00 0.00 C ATOM 1137 CE2 TYR A 72 4.301 11.631 -11.126 1.00 0.00 C ATOM 1138 CZ TYR A 72 5.592 11.976 -11.467 1.00 0.00 C ATOM 1139 OH TYR A 72 5.821 12.764 -12.572 1.00 0.00 O ATOM 0 H TYR A 72 7.233 9.290 -7.090 1.00 0.00 H new ATOM 0 HA TYR A 72 5.056 11.196 -6.683 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.375 8.561 -8.156 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.809 9.317 -7.943 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.254 10.405 -9.002 1.00 0.00 H new ATOM 0 HD2 TYR A 72 3.063 10.573 -9.752 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.665 11.809 -10.974 1.00 0.00 H new ATOM 0 HE2 TYR A 72 3.471 11.977 -11.724 1.00 0.00 H new ATOM 0 HH TYR A 72 4.967 12.986 -12.998 1.00 0.00 H new ATOM 1149 N GLY A 73 5.439 9.393 -4.405 1.00 0.00 N ATOM 1150 CA GLY A 73 4.928 8.737 -3.216 1.00 0.00 C ATOM 1151 C GLY A 73 5.607 9.220 -1.950 1.00 0.00 C ATOM 1152 O GLY A 73 6.491 8.550 -1.417 1.00 0.00 O ATOM 0 H GLY A 73 6.367 9.804 -4.302 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.855 8.914 -3.140 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.067 7.660 -3.311 1.00 0.00 H new ATOM 1156 N SER A 74 5.195 10.388 -1.468 1.00 0.00 N ATOM 1157 CA SER A 74 5.774 10.964 -0.260 1.00 0.00 C ATOM 1158 C SER A 74 5.131 10.366 0.988 1.00 0.00 C ATOM 1159 O SER A 74 4.078 9.734 0.916 1.00 0.00 O ATOM 1160 CB SER A 74 5.599 12.484 -0.259 1.00 0.00 C ATOM 1161 OG SER A 74 6.186 13.064 0.893 1.00 0.00 O ATOM 0 H SER A 74 4.462 10.954 -1.896 1.00 0.00 H new ATOM 0 HA SER A 74 6.838 10.728 -0.249 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.054 12.906 -1.155 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.538 12.731 -0.294 1.00 0.00 H new ATOM 0 HG SER A 74 6.062 14.036 0.869 1.00 0.00 H new ATOM 1167 N GLY A 75 5.774 10.571 2.134 1.00 0.00 N ATOM 1168 CA GLY A 75 5.252 10.046 3.382 1.00 0.00 C ATOM 1169 C GLY A 75 4.952 11.138 4.389 1.00 0.00 C ATOM 1170 O GLY A 75 5.453 12.259 4.290 1.00 0.00 O ATOM 0 H GLY A 75 6.647 11.091 2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.342 9.480 3.182 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.973 9.350 3.810 1.00 0.00 H new ATOM 1174 N PRO A 76 4.115 10.815 5.386 1.00 0.00 N ATOM 1175 CA PRO A 76 3.729 11.764 6.435 1.00 0.00 C ATOM 1176 C PRO A 76 4.883 12.087 7.378 1.00 0.00 C ATOM 1177 O PRO A 76 4.724 12.852 8.329 1.00 0.00 O ATOM 1178 CB PRO A 76 2.615 11.030 7.185 1.00 0.00 C ATOM 1179 CG PRO A 76 2.884 9.585 6.945 1.00 0.00 C ATOM 1180 CD PRO A 76 3.480 9.499 5.567 1.00 0.00 C ATOM 0 HA PRO A 76 3.422 12.725 6.022 1.00 0.00 H new ATOM 0 HB2 PRO A 76 2.633 11.264 8.249 1.00 0.00 H new ATOM 0 HB3 PRO A 76 1.632 11.317 6.812 1.00 0.00 H new ATOM 0 HG2 PRO A 76 3.570 9.186 7.693 1.00 0.00 H new ATOM 0 HG3 PRO A 76 1.966 9.001 7.011 1.00 0.00 H new ATOM 0 HD2 PRO A 76 4.206 8.689 5.493 1.00 0.00 H new ATOM 0 HD3 PRO A 76 2.718 9.313 4.810 1.00 0.00 H new ATOM 1188 N SER A 77 6.044 11.500 7.107 1.00 0.00 N ATOM 1189 CA SER A 77 7.225 11.723 7.934 1.00 0.00 C ATOM 1190 C SER A 77 7.353 13.195 8.312 1.00 0.00 C ATOM 1191 O SER A 77 7.665 14.039 7.472 1.00 0.00 O ATOM 1192 CB SER A 77 8.484 11.263 7.196 1.00 0.00 C ATOM 1193 OG SER A 77 9.654 11.630 7.907 1.00 0.00 O ATOM 0 H SER A 77 6.193 10.866 6.322 1.00 0.00 H new ATOM 0 HA SER A 77 7.114 11.139 8.848 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.458 10.181 7.066 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.507 11.704 6.199 1.00 0.00 H new ATOM 0 HG SER A 77 10.445 11.324 7.416 1.00 0.00 H new ATOM 1199 N SER A 78 7.109 13.496 9.584 1.00 0.00 N ATOM 1200 CA SER A 78 7.192 14.867 10.074 1.00 0.00 C ATOM 1201 C SER A 78 8.092 14.949 11.304 1.00 0.00 C ATOM 1202 O SER A 78 8.088 14.057 12.151 1.00 0.00 O ATOM 1203 CB SER A 78 5.797 15.396 10.412 1.00 0.00 C ATOM 1204 OG SER A 78 5.870 16.677 11.015 1.00 0.00 O ATOM 0 H SER A 78 6.852 12.809 10.293 1.00 0.00 H new ATOM 0 HA SER A 78 7.624 15.484 9.286 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.196 15.451 9.504 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.294 14.702 11.085 1.00 0.00 H new ATOM 0 HG SER A 78 4.966 16.994 11.220 1.00 0.00 H new ATOM 1210 N GLY A 79 8.862 16.029 11.395 1.00 0.00 N ATOM 1211 CA GLY A 79 9.757 16.210 12.523 1.00 0.00 C ATOM 1212 C GLY A 79 10.814 17.264 12.262 1.00 0.00 C ATOM 1213 O GLY A 79 11.991 17.060 12.561 1.00 0.00 O ATOM 0 H GLY A 79 8.882 16.782 10.707 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.177 16.492 13.402 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.243 15.262 12.753 1.00 0.00 H new TER 1217 GLY A 79