USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 617 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 7 ASN : amide:sc= -1.86 K(o=-2.8,f=-5.1) USER MOD Set 1.2: A 10 THR OG1 : rot -140:sc= -1.39 USER MOD Set 1.3: A 14 TYR OH : rot 4:sc= 0.481 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0122 USER MOD Single : A 20 SER OG : rot -7:sc= 0.945 USER MOD Single : A 23 MET CE :methyl -116:sc= -1.52 (180deg=-2.83!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.451 USER MOD Single : A 33 GLN : amide:sc= -0.316 K(o=-0.32,f=-1) USER MOD Single : A 36 CYS SG : rot -18:sc= -4.9! USER MOD Single : A 40 LYS NZ :NH3+ -171:sc= -0.0378 (180deg=-0.125) USER MOD Single : A 41 THR OG1 : rot -2:sc= 1.1 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -8.82! C(o=-8.8!,f=-14!) USER MOD Single : A 46 TYR OH : rot -15:sc= -1.67! USER MOD Single : A 47 TYR OH : rot -37:sc= 0.717 USER MOD Single : A 48 ASN : amide:sc= -0.466 X(o=-0.47,f=-0.02) USER MOD Single : A 49 MET CE :methyl -163:sc= -0.135 (180deg=-0.636) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 1.09 K(o=1.1,f=-0.42) USER MOD Single : A 57 THR OG1 : rot -46:sc= 0.785 USER MOD Single : A 58 GLN : amide:sc= -0.652 X(o=-0.65,f=-0.29) USER MOD Single : A 59 SER OG : rot -140:sc= -0.374 USER MOD Single : A 61 LYS NZ :NH3+ 141:sc= 0.178 (180deg=-1.27) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0743 USER MOD Single : A 76 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0264) USER MOD Single : A 78 SER OG : rot -112:sc= 0.209 USER MOD Single : A 79 ASN : amide:sc= -0.567 X(o=-0.57,f=-0.68) USER MOD Single : A 80 SER OG : rot -103:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 -11.569 2.751 -5.280 1.00 0.00 N ATOM 2 CA ASP A 2 -11.277 1.378 -5.637 1.00 0.00 C ATOM 3 C ASP A 2 -9.785 1.240 -5.943 1.00 0.00 C ATOM 4 O ASP A 2 -9.383 1.297 -7.101 1.00 0.00 O ATOM 5 CB ASP A 2 -12.091 0.949 -6.870 1.00 0.00 C ATOM 6 CG ASP A 2 -13.568 0.711 -6.590 1.00 0.00 C ATOM 7 OD1 ASP A 2 -13.906 -0.306 -5.949 1.00 0.00 O ATOM 8 OD2 ASP A 2 -14.403 1.526 -7.040 1.00 0.00 O ATOM 0 HA ASP A 2 -11.549 0.736 -4.799 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.997 1.716 -7.638 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -11.658 0.035 -7.278 1.00 0.00 H new ATOM 13 N LEU A 3 -8.959 1.057 -4.917 1.00 0.00 N ATOM 14 CA LEU A 3 -7.519 1.019 -5.115 1.00 0.00 C ATOM 15 C LEU A 3 -7.024 -0.414 -5.156 1.00 0.00 C ATOM 16 O LEU A 3 -7.647 -1.309 -4.590 1.00 0.00 O ATOM 17 CB LEU A 3 -6.772 1.797 -4.036 1.00 0.00 C ATOM 18 CG LEU A 3 -6.193 0.965 -2.899 1.00 0.00 C ATOM 19 CD1 LEU A 3 -4.988 1.673 -2.303 1.00 0.00 C ATOM 20 CD2 LEU A 3 -7.234 0.718 -1.828 1.00 0.00 C ATOM 0 H LEU A 3 -9.261 0.934 -3.950 1.00 0.00 H new ATOM 0 HA LEU A 3 -7.315 1.498 -6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.959 2.347 -4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.452 2.536 -3.611 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.881 0.001 -3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.579 1.073 -1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.228 1.808 -3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.292 2.646 -1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.797 0.122 -1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.576 1.672 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.080 0.182 -2.259 1.00 0.00 H new ATOM 32 N THR A 4 -5.906 -0.623 -5.829 1.00 0.00 N ATOM 33 CA THR A 4 -5.444 -1.952 -6.123 1.00 0.00 C ATOM 34 C THR A 4 -4.280 -2.295 -5.239 1.00 0.00 C ATOM 35 O THR A 4 -3.324 -1.554 -5.155 1.00 0.00 O ATOM 36 CB THR A 4 -4.972 -2.046 -7.573 1.00 0.00 C ATOM 37 OG1 THR A 4 -5.985 -1.529 -8.447 1.00 0.00 O ATOM 38 CG2 THR A 4 -4.646 -3.482 -7.952 1.00 0.00 C ATOM 0 H THR A 4 -5.304 0.121 -6.181 1.00 0.00 H new ATOM 0 HA THR A 4 -6.272 -2.641 -5.954 1.00 0.00 H new ATOM 0 HB THR A 4 -4.063 -1.453 -7.676 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.678 -1.589 -9.376 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.313 -3.518 -8.989 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.855 -3.859 -7.304 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.536 -4.100 -7.835 1.00 0.00 H new ATOM 46 N ILE A 5 -4.339 -3.389 -4.564 1.00 0.00 N ATOM 47 CA ILE A 5 -3.165 -3.845 -3.874 1.00 0.00 C ATOM 48 C ILE A 5 -2.630 -5.056 -4.565 1.00 0.00 C ATOM 49 O ILE A 5 -3.368 -5.850 -5.138 1.00 0.00 O ATOM 50 CB ILE A 5 -3.422 -4.198 -2.413 1.00 0.00 C ATOM 51 CG1 ILE A 5 -4.387 -3.189 -1.822 1.00 0.00 C ATOM 52 CG2 ILE A 5 -2.115 -4.297 -1.656 1.00 0.00 C ATOM 53 CD1 ILE A 5 -3.890 -1.770 -1.709 1.00 0.00 C ATOM 0 H ILE A 5 -5.165 -3.980 -4.470 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.451 -3.021 -3.891 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.889 -5.180 -2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.292 -3.186 -2.429 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.672 -3.531 -0.827 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.316 -4.550 -0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.493 -5.072 -2.104 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.594 -3.341 -1.703 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.669 -1.145 -1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.005 -1.744 -1.073 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.636 -1.394 -2.700 1.00 0.00 H new ATOM 65 N SER A 6 -1.353 -5.183 -4.509 1.00 0.00 N ATOM 66 CA SER A 6 -0.710 -6.326 -5.060 1.00 0.00 C ATOM 67 C SER A 6 0.389 -6.740 -4.154 1.00 0.00 C ATOM 68 O SER A 6 1.257 -5.952 -3.805 1.00 0.00 O ATOM 69 CB SER A 6 -0.164 -6.040 -6.437 1.00 0.00 C ATOM 70 OG SER A 6 -0.405 -4.691 -6.813 1.00 0.00 O ATOM 0 H SER A 6 -0.724 -4.502 -4.082 1.00 0.00 H new ATOM 0 HA SER A 6 -1.441 -7.128 -5.156 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.907 -6.240 -6.456 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.626 -6.711 -7.161 1.00 0.00 H new ATOM 0 HG SER A 6 -0.040 -4.531 -7.708 1.00 0.00 H new ATOM 76 N ASN A 7 0.331 -7.967 -3.765 1.00 0.00 N ATOM 77 CA ASN A 7 1.355 -8.527 -2.921 1.00 0.00 C ATOM 78 C ASN A 7 2.507 -8.917 -3.802 1.00 0.00 C ATOM 79 O ASN A 7 2.496 -9.977 -4.410 1.00 0.00 O ATOM 80 CB ASN A 7 0.871 -9.749 -2.157 1.00 0.00 C ATOM 81 CG ASN A 7 1.680 -9.950 -0.896 1.00 0.00 C ATOM 82 OD1 ASN A 7 2.845 -9.561 -0.823 1.00 0.00 O ATOM 83 ND2 ASN A 7 1.083 -10.579 0.091 1.00 0.00 N ATOM 0 H ASN A 7 -0.417 -8.614 -4.015 1.00 0.00 H new ATOM 0 HA ASN A 7 1.645 -7.781 -2.181 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -0.182 -9.631 -1.903 1.00 0.00 H new ATOM 0 HB3 ASN A 7 0.949 -10.633 -2.789 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.587 -10.761 0.959 1.00 0.00 H new ATOM 0 HD22 ASN A 7 0.115 -10.885 -0.010 1.00 0.00 H new ATOM 90 N GLU A 8 3.495 -8.062 -3.872 1.00 0.00 N ATOM 91 CA GLU A 8 4.578 -8.245 -4.864 1.00 0.00 C ATOM 92 C GLU A 8 5.470 -9.441 -4.550 1.00 0.00 C ATOM 93 O GLU A 8 6.297 -9.844 -5.368 1.00 0.00 O ATOM 94 CB GLU A 8 5.440 -6.995 -5.027 1.00 0.00 C ATOM 95 CG GLU A 8 4.934 -6.063 -6.106 1.00 0.00 C ATOM 96 CD GLU A 8 4.751 -6.761 -7.445 1.00 0.00 C ATOM 97 OE1 GLU A 8 5.737 -6.894 -8.198 1.00 0.00 O ATOM 98 OE2 GLU A 8 3.610 -7.174 -7.753 1.00 0.00 O ATOM 0 H GLU A 8 3.592 -7.240 -3.276 1.00 0.00 H new ATOM 0 HA GLU A 8 4.066 -8.438 -5.807 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.475 -6.459 -4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.462 -7.293 -5.262 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.983 -5.633 -5.792 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.634 -5.236 -6.224 1.00 0.00 H new ATOM 105 N LEU A 9 5.300 -10.007 -3.376 1.00 0.00 N ATOM 106 CA LEU A 9 6.095 -11.141 -2.947 1.00 0.00 C ATOM 107 C LEU A 9 5.404 -12.444 -3.303 1.00 0.00 C ATOM 108 O LEU A 9 6.031 -13.401 -3.753 1.00 0.00 O ATOM 109 CB LEU A 9 6.274 -11.057 -1.449 1.00 0.00 C ATOM 110 CG LEU A 9 7.287 -10.023 -0.972 1.00 0.00 C ATOM 111 CD1 LEU A 9 6.986 -9.661 0.452 1.00 0.00 C ATOM 112 CD2 LEU A 9 8.711 -10.559 -1.099 1.00 0.00 C ATOM 0 H LEU A 9 4.610 -9.697 -2.692 1.00 0.00 H new ATOM 0 HA LEU A 9 7.062 -11.118 -3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.308 -10.832 -0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.578 -12.037 -1.080 1.00 0.00 H new ATOM 0 HG LEU A 9 7.211 -9.133 -1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.707 -8.921 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.980 -9.246 0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.051 -10.553 1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.416 -9.804 -0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.816 -11.459 -0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.918 -10.798 -2.142 1.00 0.00 H new ATOM 124 N THR A 10 4.108 -12.465 -3.071 1.00 0.00 N ATOM 125 CA THR A 10 3.274 -13.584 -3.289 1.00 0.00 C ATOM 126 C THR A 10 2.729 -13.587 -4.695 1.00 0.00 C ATOM 127 O THR A 10 2.347 -14.612 -5.251 1.00 0.00 O ATOM 128 CB THR A 10 2.152 -13.422 -2.287 1.00 0.00 C ATOM 129 OG1 THR A 10 2.588 -12.510 -1.281 1.00 0.00 O ATOM 130 CG2 THR A 10 1.880 -14.704 -1.634 1.00 0.00 C ATOM 0 H THR A 10 3.604 -11.656 -2.709 1.00 0.00 H new ATOM 0 HA THR A 10 3.811 -14.525 -3.168 1.00 0.00 H new ATOM 0 HB THR A 10 1.256 -13.065 -2.795 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.282 -12.820 -0.403 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.071 -14.581 -0.914 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.589 -15.440 -2.384 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.777 -15.047 -1.118 1.00 0.00 H new ATOM 138 N GLY A 11 2.705 -12.404 -5.236 1.00 0.00 N ATOM 139 CA GLY A 11 2.224 -12.190 -6.575 1.00 0.00 C ATOM 140 C GLY A 11 0.722 -12.068 -6.602 1.00 0.00 C ATOM 141 O GLY A 11 0.098 -12.069 -7.662 1.00 0.00 O ATOM 0 H GLY A 11 3.018 -11.557 -4.762 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.672 -11.285 -6.985 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.536 -13.017 -7.213 1.00 0.00 H new ATOM 145 N GLU A 12 0.147 -11.945 -5.416 1.00 0.00 N ATOM 146 CA GLU A 12 -1.266 -11.886 -5.256 1.00 0.00 C ATOM 147 C GLU A 12 -1.744 -10.539 -5.649 1.00 0.00 C ATOM 148 O GLU A 12 -1.024 -9.547 -5.583 1.00 0.00 O ATOM 149 CB GLU A 12 -1.696 -12.129 -3.822 1.00 0.00 C ATOM 150 CG GLU A 12 -1.099 -13.374 -3.200 1.00 0.00 C ATOM 151 CD GLU A 12 -1.630 -13.632 -1.808 1.00 0.00 C ATOM 152 OE1 GLU A 12 -2.669 -14.309 -1.675 1.00 0.00 O ATOM 153 OE2 GLU A 12 -1.021 -13.135 -0.843 1.00 0.00 O ATOM 0 H GLU A 12 0.667 -11.884 -4.541 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.694 -12.668 -5.884 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.417 -11.265 -3.219 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.783 -12.204 -3.788 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.316 -14.234 -3.834 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.014 -13.273 -3.160 1.00 0.00 H new ATOM 160 N ILE A 13 -2.978 -10.525 -5.975 1.00 0.00 N ATOM 161 CA ILE A 13 -3.640 -9.337 -6.453 1.00 0.00 C ATOM 162 C ILE A 13 -4.935 -9.146 -5.707 1.00 0.00 C ATOM 163 O ILE A 13 -5.856 -9.957 -5.793 1.00 0.00 O ATOM 164 CB ILE A 13 -3.913 -9.353 -7.971 1.00 0.00 C ATOM 165 CG1 ILE A 13 -2.621 -9.595 -8.745 1.00 0.00 C ATOM 166 CG2 ILE A 13 -4.523 -8.024 -8.388 1.00 0.00 C ATOM 167 CD1 ILE A 13 -1.514 -8.657 -8.328 1.00 0.00 C ATOM 0 H ILE A 13 -3.583 -11.344 -5.923 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.961 -8.505 -6.268 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.607 -10.162 -8.197 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.297 -10.625 -8.593 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.812 -9.475 -9.811 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.717 -8.033 -9.461 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.459 -7.869 -7.851 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.831 -7.216 -8.151 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.617 -8.872 -8.909 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.824 -7.627 -8.505 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.301 -8.794 -7.268 1.00 0.00 H new ATOM 179 N TYR A 14 -4.968 -8.085 -4.952 1.00 0.00 N ATOM 180 CA TYR A 14 -6.107 -7.761 -4.116 1.00 0.00 C ATOM 181 C TYR A 14 -6.925 -6.684 -4.780 1.00 0.00 C ATOM 182 O TYR A 14 -6.393 -5.858 -5.534 1.00 0.00 O ATOM 183 CB TYR A 14 -5.566 -7.301 -2.797 1.00 0.00 C ATOM 184 CG TYR A 14 -4.655 -8.255 -2.227 1.00 0.00 C ATOM 185 CD1 TYR A 14 -4.943 -9.604 -2.051 1.00 0.00 C ATOM 186 CD2 TYR A 14 -3.490 -7.784 -1.879 1.00 0.00 C ATOM 187 CE1 TYR A 14 -3.997 -10.436 -1.498 1.00 0.00 C ATOM 188 CE2 TYR A 14 -2.577 -8.545 -1.354 1.00 0.00 C ATOM 189 CZ TYR A 14 -2.789 -9.889 -1.145 1.00 0.00 C ATOM 190 OH TYR A 14 -1.808 -10.662 -0.566 1.00 0.00 O ATOM 0 H TYR A 14 -4.205 -7.411 -4.893 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.759 -8.622 -3.968 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.057 -6.346 -2.927 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.392 -7.130 -2.106 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.905 -9.997 -2.347 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.279 -6.736 -2.031 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -4.199 -11.486 -1.347 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.628 -8.112 -1.075 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.105 -11.595 -0.531 1.00 0.00 H new ATOM 200 N GLY A 15 -8.184 -6.622 -4.417 1.00 0.00 N ATOM 201 CA GLY A 15 -9.138 -5.967 -5.258 1.00 0.00 C ATOM 202 C GLY A 15 -9.379 -4.545 -4.870 1.00 0.00 C ATOM 203 O GLY A 15 -8.798 -4.047 -3.908 1.00 0.00 O ATOM 0 H GLY A 15 -8.562 -7.014 -3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.789 -6.002 -6.290 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.081 -6.513 -5.222 1.00 0.00 H new ATOM 207 N PRO A 16 -10.250 -3.872 -5.613 1.00 0.00 N ATOM 208 CA PRO A 16 -10.482 -2.441 -5.473 1.00 0.00 C ATOM 209 C PRO A 16 -11.107 -2.108 -4.129 1.00 0.00 C ATOM 210 O PRO A 16 -12.292 -2.343 -3.882 1.00 0.00 O ATOM 211 CB PRO A 16 -11.446 -2.152 -6.615 1.00 0.00 C ATOM 212 CG PRO A 16 -12.197 -3.414 -6.722 1.00 0.00 C ATOM 213 CD PRO A 16 -11.142 -4.462 -6.625 1.00 0.00 C ATOM 0 HA PRO A 16 -9.568 -1.849 -5.513 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.099 -1.308 -6.392 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.921 -1.912 -7.539 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.933 -3.511 -5.924 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.740 -3.478 -7.665 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.545 -5.424 -6.309 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.635 -4.626 -7.576 1.00 0.00 H new ATOM 221 N ILE A 17 -10.293 -1.567 -3.266 1.00 0.00 N ATOM 222 CA ILE A 17 -10.726 -1.200 -1.946 1.00 0.00 C ATOM 223 C ILE A 17 -11.240 0.221 -1.930 1.00 0.00 C ATOM 224 O ILE A 17 -10.646 1.119 -2.531 1.00 0.00 O ATOM 225 CB ILE A 17 -9.589 -1.366 -0.941 1.00 0.00 C ATOM 226 CG1 ILE A 17 -9.418 -2.852 -0.658 1.00 0.00 C ATOM 227 CG2 ILE A 17 -9.853 -0.561 0.327 1.00 0.00 C ATOM 228 CD1 ILE A 17 -8.355 -3.158 0.369 1.00 0.00 C ATOM 0 H ILE A 17 -9.311 -1.368 -3.457 1.00 0.00 H new ATOM 0 HA ILE A 17 -11.540 -1.865 -1.658 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.660 -0.974 -1.355 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.369 -3.259 -0.315 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -9.169 -3.363 -1.588 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.026 -0.699 1.024 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.943 0.496 0.075 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -10.779 -0.904 0.789 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.292 -4.236 0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.393 -2.783 0.020 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.612 -2.677 1.313 1.00 0.00 H new ATOM 240 N GLU A 18 -12.340 0.417 -1.235 1.00 0.00 N ATOM 241 CA GLU A 18 -12.943 1.730 -1.152 1.00 0.00 C ATOM 242 C GLU A 18 -12.191 2.579 -0.154 1.00 0.00 C ATOM 243 O GLU A 18 -12.239 2.326 1.048 1.00 0.00 O ATOM 244 CB GLU A 18 -14.419 1.656 -0.753 1.00 0.00 C ATOM 245 CG GLU A 18 -15.055 3.031 -0.595 1.00 0.00 C ATOM 246 CD GLU A 18 -16.525 2.965 -0.236 1.00 0.00 C ATOM 247 OE1 GLU A 18 -17.358 2.831 -1.152 1.00 0.00 O ATOM 248 OE2 GLU A 18 -16.858 3.050 0.963 1.00 0.00 O ATOM 0 H GLU A 18 -12.833 -0.313 -0.721 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.886 2.181 -2.143 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.967 1.091 -1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -14.511 1.108 0.185 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -14.522 3.585 0.178 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.938 3.588 -1.524 1.00 0.00 H new ATOM 255 N VAL A 19 -11.471 3.564 -0.647 1.00 0.00 N ATOM 256 CA VAL A 19 -10.812 4.484 0.239 1.00 0.00 C ATOM 257 C VAL A 19 -11.508 5.816 0.247 1.00 0.00 C ATOM 258 O VAL A 19 -12.102 6.252 -0.738 1.00 0.00 O ATOM 259 CB VAL A 19 -9.337 4.725 -0.130 1.00 0.00 C ATOM 260 CG1 VAL A 19 -8.696 3.447 -0.570 1.00 0.00 C ATOM 261 CG2 VAL A 19 -9.183 5.801 -1.186 1.00 0.00 C ATOM 0 H VAL A 19 -11.331 3.743 -1.641 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.854 4.018 1.223 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.827 5.083 0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.653 3.633 -0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.746 2.718 0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.221 3.058 -1.442 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.126 5.937 -1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.715 5.503 -2.090 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.597 6.738 -0.814 1.00 0.00 H new ATOM 271 N SER A 20 -11.489 6.408 1.397 1.00 0.00 N ATOM 272 CA SER A 20 -11.802 7.801 1.538 1.00 0.00 C ATOM 273 C SER A 20 -10.490 8.539 1.613 1.00 0.00 C ATOM 274 O SER A 20 -9.538 8.060 2.222 1.00 0.00 O ATOM 275 CB SER A 20 -12.631 8.034 2.806 1.00 0.00 C ATOM 276 OG SER A 20 -13.047 9.387 2.924 1.00 0.00 O ATOM 0 H SER A 20 -11.255 5.940 2.273 1.00 0.00 H new ATOM 0 HA SER A 20 -12.395 8.157 0.695 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.506 7.385 2.792 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.043 7.757 3.681 1.00 0.00 H new ATOM 0 HG SER A 20 -12.625 9.922 2.219 1.00 0.00 H new ATOM 282 N GLU A 21 -10.443 9.691 0.989 1.00 0.00 N ATOM 283 CA GLU A 21 -9.238 10.492 0.946 1.00 0.00 C ATOM 284 C GLU A 21 -8.859 10.949 2.348 1.00 0.00 C ATOM 285 O GLU A 21 -7.709 11.285 2.626 1.00 0.00 O ATOM 286 CB GLU A 21 -9.470 11.688 0.029 1.00 0.00 C ATOM 287 CG GLU A 21 -10.384 12.767 0.608 1.00 0.00 C ATOM 288 CD GLU A 21 -11.846 12.356 0.667 1.00 0.00 C ATOM 289 OE1 GLU A 21 -12.235 11.629 1.605 1.00 0.00 O ATOM 290 OE2 GLU A 21 -12.618 12.765 -0.224 1.00 0.00 O ATOM 0 H GLU A 21 -11.236 10.102 0.497 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.413 9.896 0.555 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.506 12.137 -0.211 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.898 11.333 -0.908 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.045 13.018 1.613 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.293 13.671 0.005 1.00 0.00 H new ATOM 297 N ASP A 22 -9.855 10.950 3.215 1.00 0.00 N ATOM 298 CA ASP A 22 -9.687 11.366 4.594 1.00 0.00 C ATOM 299 C ASP A 22 -9.520 10.164 5.538 1.00 0.00 C ATOM 300 O ASP A 22 -9.628 10.299 6.756 1.00 0.00 O ATOM 301 CB ASP A 22 -10.888 12.225 5.003 1.00 0.00 C ATOM 302 CG ASP A 22 -10.776 12.802 6.402 1.00 0.00 C ATOM 303 OD1 ASP A 22 -9.878 13.638 6.639 1.00 0.00 O ATOM 304 OD2 ASP A 22 -11.597 12.428 7.267 1.00 0.00 O ATOM 0 H ASP A 22 -10.805 10.662 2.981 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.772 11.953 4.675 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.999 13.042 4.290 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.794 11.622 4.940 1.00 0.00 H new ATOM 309 N MET A 23 -9.244 8.976 4.997 1.00 0.00 N ATOM 310 CA MET A 23 -8.905 7.863 5.813 1.00 0.00 C ATOM 311 C MET A 23 -7.459 8.021 6.223 1.00 0.00 C ATOM 312 O MET A 23 -6.774 8.964 5.815 1.00 0.00 O ATOM 313 CB MET A 23 -9.117 6.579 5.008 1.00 0.00 C ATOM 314 CG MET A 23 -9.245 5.355 5.857 1.00 0.00 C ATOM 315 SD MET A 23 -9.909 3.937 4.960 1.00 0.00 S ATOM 316 CE MET A 23 -11.526 4.546 4.488 1.00 0.00 C ATOM 0 H MET A 23 -9.255 8.784 3.995 1.00 0.00 H new ATOM 0 HA MET A 23 -9.529 7.811 6.705 1.00 0.00 H new ATOM 0 HB2 MET A 23 -10.016 6.685 4.400 1.00 0.00 H new ATOM 0 HB3 MET A 23 -8.281 6.449 4.321 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.266 5.096 6.260 1.00 0.00 H new ATOM 0 HG3 MET A 23 -9.892 5.575 6.706 1.00 0.00 H new ATOM 0 HE1 MET A 23 -12.296 3.947 4.973 1.00 0.00 H new ATOM 0 HE2 MET A 23 -11.627 5.586 4.797 1.00 0.00 H new ATOM 0 HE3 MET A 23 -11.640 4.476 3.406 1.00 0.00 H new ATOM 326 N ALA A 24 -6.998 7.117 7.017 1.00 0.00 N ATOM 327 CA ALA A 24 -5.613 7.112 7.395 1.00 0.00 C ATOM 328 C ALA A 24 -4.880 6.157 6.492 1.00 0.00 C ATOM 329 O ALA A 24 -5.338 5.037 6.273 1.00 0.00 O ATOM 330 CB ALA A 24 -5.453 6.715 8.854 1.00 0.00 C ATOM 0 H ALA A 24 -7.556 6.366 7.422 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.195 8.113 7.287 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.395 6.718 9.118 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.987 7.426 9.485 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.862 5.716 9.006 1.00 0.00 H new ATOM 336 N LEU A 25 -3.768 6.614 5.933 1.00 0.00 N ATOM 337 CA LEU A 25 -2.907 5.770 5.183 1.00 0.00 C ATOM 338 C LEU A 25 -2.559 4.566 6.006 1.00 0.00 C ATOM 339 O LEU A 25 -2.554 3.450 5.536 1.00 0.00 O ATOM 340 CB LEU A 25 -1.690 6.519 4.760 1.00 0.00 C ATOM 341 CG LEU A 25 -0.869 7.242 5.798 1.00 0.00 C ATOM 342 CD1 LEU A 25 -1.579 8.224 6.734 1.00 0.00 C ATOM 343 CD2 LEU A 25 0.069 6.317 6.504 1.00 0.00 C ATOM 0 H LEU A 25 -3.455 7.583 5.998 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.412 5.434 4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.031 5.813 4.254 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.000 7.254 4.017 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.288 7.940 5.195 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.854 8.661 7.421 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.045 9.015 6.146 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.345 7.696 7.302 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.643 6.875 7.244 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.500 5.533 7.003 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.750 5.867 5.781 1.00 0.00 H new ATOM 355 N THR A 26 -2.245 4.862 7.240 1.00 0.00 N ATOM 356 CA THR A 26 -2.075 3.893 8.292 1.00 0.00 C ATOM 357 C THR A 26 -3.214 2.873 8.392 1.00 0.00 C ATOM 358 O THR A 26 -2.967 1.685 8.445 1.00 0.00 O ATOM 359 CB THR A 26 -1.994 4.632 9.611 1.00 0.00 C ATOM 360 OG1 THR A 26 -2.217 6.030 9.374 1.00 0.00 O ATOM 361 CG2 THR A 26 -0.642 4.433 10.271 1.00 0.00 C ATOM 0 H THR A 26 -2.095 5.821 7.552 1.00 0.00 H new ATOM 0 HA THR A 26 -1.167 3.336 8.060 1.00 0.00 H new ATOM 0 HB THR A 26 -2.756 4.236 10.283 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.168 6.518 10.223 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.615 4.976 11.216 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.481 3.371 10.458 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.142 4.809 9.614 1.00 0.00 H new ATOM 369 N ASP A 27 -4.449 3.356 8.460 1.00 0.00 N ATOM 370 CA ASP A 27 -5.636 2.499 8.513 1.00 0.00 C ATOM 371 C ASP A 27 -5.733 1.658 7.244 1.00 0.00 C ATOM 372 O ASP A 27 -6.270 0.551 7.237 1.00 0.00 O ATOM 373 CB ASP A 27 -6.883 3.371 8.679 1.00 0.00 C ATOM 374 CG ASP A 27 -8.153 2.578 8.908 1.00 0.00 C ATOM 375 OD1 ASP A 27 -8.284 1.951 9.978 1.00 0.00 O ATOM 376 OD2 ASP A 27 -9.049 2.626 8.045 1.00 0.00 O ATOM 0 H ASP A 27 -4.660 4.354 8.480 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.560 1.823 9.364 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.732 4.049 9.519 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.006 3.988 7.789 1.00 0.00 H new ATOM 381 N LEU A 28 -5.177 2.192 6.179 1.00 0.00 N ATOM 382 CA LEU A 28 -5.098 1.485 4.919 1.00 0.00 C ATOM 383 C LEU A 28 -4.044 0.382 5.013 1.00 0.00 C ATOM 384 O LEU A 28 -4.297 -0.768 4.668 1.00 0.00 O ATOM 385 CB LEU A 28 -4.773 2.468 3.807 1.00 0.00 C ATOM 386 CG LEU A 28 -5.815 2.557 2.701 1.00 0.00 C ATOM 387 CD1 LEU A 28 -6.207 1.166 2.249 1.00 0.00 C ATOM 388 CD2 LEU A 28 -7.028 3.335 3.182 1.00 0.00 C ATOM 0 H LEU A 28 -4.768 3.126 6.161 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.056 1.018 4.693 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.644 3.458 4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.817 2.188 3.363 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.389 3.088 1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.953 1.237 1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.327 0.644 1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.624 0.614 3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.765 3.391 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.466 2.831 4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.725 4.342 3.467 1.00 0.00 H new ATOM 400 N ILE A 29 -2.873 0.768 5.501 1.00 0.00 N ATOM 401 CA ILE A 29 -1.818 -0.130 5.913 1.00 0.00 C ATOM 402 C ILE A 29 -2.350 -1.194 6.870 1.00 0.00 C ATOM 403 O ILE A 29 -1.892 -2.325 6.866 1.00 0.00 O ATOM 404 CB ILE A 29 -0.729 0.678 6.656 1.00 0.00 C ATOM 405 CG1 ILE A 29 -0.147 1.806 5.793 1.00 0.00 C ATOM 406 CG2 ILE A 29 0.355 -0.226 7.153 1.00 0.00 C ATOM 407 CD1 ILE A 29 -0.025 1.469 4.331 1.00 0.00 C ATOM 0 H ILE A 29 -2.629 1.751 5.623 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.413 -0.613 5.024 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.210 1.150 7.512 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.776 2.690 5.899 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.839 2.069 6.177 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.111 0.363 7.673 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.069 -0.959 7.839 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.814 -0.742 6.309 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.394 2.320 3.795 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.630 0.606 4.210 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.011 1.236 3.928 1.00 0.00 H new ATOM 419 N ALA A 30 -3.305 -0.807 7.690 1.00 0.00 N ATOM 420 CA ALA A 30 -3.934 -1.709 8.632 1.00 0.00 C ATOM 421 C ALA A 30 -4.562 -2.898 7.902 1.00 0.00 C ATOM 422 O ALA A 30 -4.314 -4.050 8.247 1.00 0.00 O ATOM 423 CB ALA A 30 -4.964 -0.944 9.456 1.00 0.00 C ATOM 0 H ALA A 30 -3.668 0.146 7.722 1.00 0.00 H new ATOM 0 HA ALA A 30 -3.181 -2.110 9.310 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.438 -1.622 10.166 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.470 -0.138 9.999 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.721 -0.524 8.793 1.00 0.00 H new ATOM 429 N LEU A 31 -5.332 -2.596 6.862 1.00 0.00 N ATOM 430 CA LEU A 31 -5.975 -3.615 6.020 1.00 0.00 C ATOM 431 C LEU A 31 -4.955 -4.281 5.142 1.00 0.00 C ATOM 432 O LEU A 31 -5.075 -5.437 4.771 1.00 0.00 O ATOM 433 CB LEU A 31 -7.026 -2.971 5.139 1.00 0.00 C ATOM 434 CG LEU A 31 -7.791 -1.907 5.863 1.00 0.00 C ATOM 435 CD1 LEU A 31 -8.365 -0.892 4.887 1.00 0.00 C ATOM 436 CD2 LEU A 31 -8.888 -2.523 6.715 1.00 0.00 C ATOM 0 H LEU A 31 -5.532 -1.638 6.574 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.439 -4.356 6.671 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.547 -2.539 4.261 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.717 -3.735 4.782 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.102 -1.382 6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.916 -0.129 5.437 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.553 -0.423 4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.037 -1.395 4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.433 -1.734 7.233 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.575 -3.079 6.077 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.444 -3.198 7.447 1.00 0.00 H new ATOM 448 N LEU A 32 -3.967 -3.508 4.788 1.00 0.00 N ATOM 449 CA LEU A 32 -2.895 -3.939 3.979 1.00 0.00 C ATOM 450 C LEU A 32 -2.104 -5.037 4.702 1.00 0.00 C ATOM 451 O LEU A 32 -1.733 -6.045 4.120 1.00 0.00 O ATOM 452 CB LEU A 32 -2.103 -2.678 3.743 1.00 0.00 C ATOM 453 CG LEU A 32 -1.034 -2.721 2.709 1.00 0.00 C ATOM 454 CD1 LEU A 32 -1.545 -3.155 1.365 1.00 0.00 C ATOM 455 CD2 LEU A 32 -0.417 -1.375 2.631 1.00 0.00 C ATOM 0 H LEU A 32 -3.897 -2.531 5.071 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.194 -4.393 3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.802 -1.888 3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.645 -2.387 4.688 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.294 -3.467 3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.722 -3.168 0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.973 -4.154 1.444 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.311 -2.458 1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.372 -1.379 1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.176 -0.642 2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.008 -1.113 3.600 1.00 0.00 H new ATOM 467 N GLN A 33 -1.875 -4.854 5.987 1.00 0.00 N ATOM 468 CA GLN A 33 -1.206 -5.821 6.796 1.00 0.00 C ATOM 469 C GLN A 33 -2.135 -6.966 7.141 1.00 0.00 C ATOM 470 O GLN A 33 -1.751 -8.133 7.120 1.00 0.00 O ATOM 471 CB GLN A 33 -0.722 -5.095 8.026 1.00 0.00 C ATOM 472 CG GLN A 33 0.412 -4.163 7.677 1.00 0.00 C ATOM 473 CD GLN A 33 1.050 -3.470 8.860 1.00 0.00 C ATOM 474 OE1 GLN A 33 2.257 -3.228 8.862 1.00 0.00 O ATOM 475 NE2 GLN A 33 0.255 -3.111 9.848 1.00 0.00 N ATOM 0 H GLN A 33 -2.157 -4.015 6.494 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.363 -6.267 6.268 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.542 -4.530 8.468 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.391 -5.815 8.774 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.179 -4.729 7.148 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.042 -3.405 6.986 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.740 -3.331 9.807 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.635 -2.613 10.653 1.00 0.00 H new ATOM 484 N ALA A 34 -3.358 -6.596 7.441 1.00 0.00 N ATOM 485 CA ALA A 34 -4.413 -7.522 7.784 1.00 0.00 C ATOM 486 C ALA A 34 -4.686 -8.530 6.665 1.00 0.00 C ATOM 487 O ALA A 34 -4.665 -9.740 6.881 1.00 0.00 O ATOM 488 CB ALA A 34 -5.660 -6.715 8.080 1.00 0.00 C ATOM 0 H ALA A 34 -3.654 -5.620 7.454 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.107 -8.102 8.655 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.476 -7.389 8.343 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.466 -6.038 8.912 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.937 -6.137 7.199 1.00 0.00 H new ATOM 494 N ASP A 35 -4.945 -8.021 5.475 1.00 0.00 N ATOM 495 CA ASP A 35 -5.365 -8.852 4.355 1.00 0.00 C ATOM 496 C ASP A 35 -4.244 -9.063 3.343 1.00 0.00 C ATOM 497 O ASP A 35 -4.039 -10.179 2.862 1.00 0.00 O ATOM 498 CB ASP A 35 -6.572 -8.222 3.664 1.00 0.00 C ATOM 499 CG ASP A 35 -7.130 -9.095 2.558 1.00 0.00 C ATOM 500 OD1 ASP A 35 -7.380 -10.293 2.810 1.00 0.00 O ATOM 501 OD2 ASP A 35 -7.340 -8.584 1.439 1.00 0.00 O ATOM 0 H ASP A 35 -4.872 -7.028 5.255 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.634 -9.829 4.757 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.352 -8.034 4.402 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.286 -7.255 3.250 1.00 0.00 H new ATOM 506 N CYS A 36 -3.508 -8.005 3.026 1.00 0.00 N ATOM 507 CA CYS A 36 -2.475 -8.099 2.005 1.00 0.00 C ATOM 508 C CYS A 36 -1.216 -8.747 2.565 1.00 0.00 C ATOM 509 O CYS A 36 -0.338 -9.157 1.820 1.00 0.00 O ATOM 510 CB CYS A 36 -2.155 -6.715 1.434 1.00 0.00 C ATOM 511 SG CYS A 36 -0.718 -6.668 0.338 1.00 0.00 S ATOM 0 H CYS A 36 -3.605 -7.085 3.455 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.853 -8.728 1.199 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.025 -6.352 0.887 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.988 -6.025 2.261 1.00 0.00 H new ATOM 0 HG CYS A 36 0.007 -7.731 0.527 1.00 0.00 H new ATOM 517 N GLY A 37 -1.122 -8.824 3.880 1.00 0.00 N ATOM 518 CA GLY A 37 0.024 -9.469 4.490 1.00 0.00 C ATOM 519 C GLY A 37 1.192 -8.521 4.609 1.00 0.00 C ATOM 520 O GLY A 37 2.322 -8.937 4.875 1.00 0.00 O ATOM 0 H GLY A 37 -1.812 -8.455 4.535 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.248 -9.839 5.479 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.315 -10.335 3.895 1.00 0.00 H new ATOM 524 N PHE A 38 0.912 -7.245 4.367 1.00 0.00 N ATOM 525 CA PHE A 38 1.846 -6.171 4.571 1.00 0.00 C ATOM 526 C PHE A 38 2.556 -6.288 5.904 1.00 0.00 C ATOM 527 O PHE A 38 1.975 -6.676 6.916 1.00 0.00 O ATOM 528 CB PHE A 38 1.071 -4.876 4.518 1.00 0.00 C ATOM 529 CG PHE A 38 1.897 -3.657 4.390 1.00 0.00 C ATOM 530 CD1 PHE A 38 3.087 -3.778 3.832 1.00 0.00 C ATOM 531 CD2 PHE A 38 1.506 -2.429 4.857 1.00 0.00 C ATOM 532 CE1 PHE A 38 3.926 -2.764 3.677 1.00 0.00 C ATOM 533 CE2 PHE A 38 2.350 -1.357 4.699 1.00 0.00 C ATOM 534 CZ PHE A 38 3.573 -1.555 4.091 1.00 0.00 C ATOM 0 H PHE A 38 0.006 -6.934 4.016 1.00 0.00 H new ATOM 0 HA PHE A 38 2.611 -6.208 3.796 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.380 -4.918 3.676 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.468 -4.794 5.422 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.393 -4.754 3.484 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.549 -2.306 5.342 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.890 -2.921 3.217 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.061 -0.375 5.045 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.245 -0.721 3.952 1.00 0.00 H new ATOM 544 N ASP A 39 3.822 -5.956 5.873 1.00 0.00 N ATOM 545 CA ASP A 39 4.650 -5.969 7.032 1.00 0.00 C ATOM 546 C ASP A 39 5.725 -4.939 6.822 1.00 0.00 C ATOM 547 O ASP A 39 6.728 -5.208 6.197 1.00 0.00 O ATOM 548 CB ASP A 39 5.288 -7.324 7.235 1.00 0.00 C ATOM 549 CG ASP A 39 6.076 -7.406 8.520 1.00 0.00 C ATOM 550 OD1 ASP A 39 7.182 -6.844 8.565 1.00 0.00 O ATOM 551 OD2 ASP A 39 5.600 -8.045 9.482 1.00 0.00 O ATOM 0 H ASP A 39 4.305 -5.666 5.023 1.00 0.00 H new ATOM 0 HA ASP A 39 4.050 -5.751 7.916 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.513 -8.090 7.239 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.947 -7.541 6.394 1.00 0.00 H new ATOM 556 N LYS A 40 5.485 -3.762 7.303 1.00 0.00 N ATOM 557 CA LYS A 40 6.394 -2.655 7.151 1.00 0.00 C ATOM 558 C LYS A 40 7.782 -2.965 7.715 1.00 0.00 C ATOM 559 O LYS A 40 8.774 -2.378 7.296 1.00 0.00 O ATOM 560 CB LYS A 40 5.823 -1.485 7.919 1.00 0.00 C ATOM 561 CG LYS A 40 4.351 -1.296 7.662 1.00 0.00 C ATOM 562 CD LYS A 40 4.127 -0.109 6.823 1.00 0.00 C ATOM 563 CE LYS A 40 4.695 1.161 7.432 1.00 0.00 C ATOM 564 NZ LYS A 40 4.246 1.381 8.835 1.00 0.00 N ATOM 0 H LYS A 40 4.638 -3.531 7.823 1.00 0.00 H new ATOM 0 HA LYS A 40 6.504 -2.442 6.088 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.986 -1.639 8.986 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.357 -0.576 7.642 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.945 -2.179 7.170 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.821 -1.186 8.608 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.580 -0.271 5.845 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.057 0.019 6.661 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.784 1.115 7.407 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.398 2.015 6.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.536 2.330 9.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.210 1.302 8.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.678 0.665 9.454 1.00 0.00 H new ATOM 578 N THR A 41 7.833 -3.901 8.656 1.00 0.00 N ATOM 579 CA THR A 41 9.039 -4.168 9.414 1.00 0.00 C ATOM 580 C THR A 41 9.969 -5.076 8.632 1.00 0.00 C ATOM 581 O THR A 41 11.115 -5.307 9.020 1.00 0.00 O ATOM 582 CB THR A 41 8.728 -4.743 10.811 1.00 0.00 C ATOM 583 OG1 THR A 41 7.955 -5.949 10.745 1.00 0.00 O ATOM 584 CG2 THR A 41 7.984 -3.716 11.642 1.00 0.00 C ATOM 0 H THR A 41 7.041 -4.491 8.910 1.00 0.00 H new ATOM 0 HA THR A 41 9.547 -3.217 9.574 1.00 0.00 H new ATOM 0 HB THR A 41 9.683 -4.984 11.277 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.753 -6.157 9.809 1.00 0.00 H new ATOM 0 HG21 THR A 41 7.769 -4.131 12.627 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.598 -2.822 11.751 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.049 -3.455 11.146 1.00 0.00 H new ATOM 592 N LYS A 42 9.451 -5.582 7.523 1.00 0.00 N ATOM 593 CA LYS A 42 10.233 -6.020 6.445 1.00 0.00 C ATOM 594 C LYS A 42 9.249 -6.118 5.348 1.00 0.00 C ATOM 595 O LYS A 42 8.509 -7.066 5.191 1.00 0.00 O ATOM 596 CB LYS A 42 10.892 -7.349 6.772 1.00 0.00 C ATOM 597 CG LYS A 42 9.906 -8.477 6.819 1.00 0.00 C ATOM 598 CD LYS A 42 9.800 -9.154 8.164 1.00 0.00 C ATOM 599 CE LYS A 42 8.393 -9.687 8.375 1.00 0.00 C ATOM 600 NZ LYS A 42 8.354 -10.770 9.389 1.00 0.00 N ATOM 0 H LYS A 42 8.448 -5.689 7.373 1.00 0.00 H new ATOM 0 HA LYS A 42 11.063 -5.360 6.192 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.655 -7.567 6.025 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.400 -7.273 7.733 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.924 -8.097 6.538 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.186 -9.220 6.072 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.519 -9.971 8.225 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.051 -8.448 8.955 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.740 -8.873 8.689 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.002 -10.062 7.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.376 -11.105 9.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.956 -11.559 9.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.703 -10.406 10.299 1.00 0.00 H new ATOM 614 N HIS A 43 9.197 -5.026 4.677 1.00 0.00 N ATOM 615 CA HIS A 43 8.678 -4.896 3.383 1.00 0.00 C ATOM 616 C HIS A 43 9.050 -3.588 2.836 1.00 0.00 C ATOM 617 O HIS A 43 9.589 -2.721 3.520 1.00 0.00 O ATOM 618 CB HIS A 43 7.188 -4.972 3.351 1.00 0.00 C ATOM 619 CG HIS A 43 6.727 -6.341 3.305 1.00 0.00 C ATOM 620 ND1 HIS A 43 5.567 -6.739 3.858 1.00 0.00 N ATOM 621 CD2 HIS A 43 7.358 -7.429 2.859 1.00 0.00 C ATOM 622 CE1 HIS A 43 5.474 -8.023 3.792 1.00 0.00 C ATOM 623 NE2 HIS A 43 6.547 -8.495 3.178 1.00 0.00 N ATOM 0 H HIS A 43 9.543 -4.143 5.052 1.00 0.00 H new ATOM 0 HA HIS A 43 9.090 -5.720 2.800 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.779 -4.479 4.233 1.00 0.00 H new ATOM 0 HB3 HIS A 43 6.814 -4.432 2.481 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.311 -7.466 2.351 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.656 -8.615 4.174 1.00 0.00 H new ATOM 0 HE2 HIS A 43 6.739 -9.476 2.976 1.00 0.00 H new ATOM 632 N ASP A 44 8.712 -3.452 1.616 1.00 0.00 N ATOM 633 CA ASP A 44 8.562 -2.185 1.052 1.00 0.00 C ATOM 634 C ASP A 44 7.259 -2.180 0.337 1.00 0.00 C ATOM 635 O ASP A 44 7.018 -2.992 -0.515 1.00 0.00 O ATOM 636 CB ASP A 44 9.670 -1.844 0.060 1.00 0.00 C ATOM 637 CG ASP A 44 11.052 -2.298 0.495 1.00 0.00 C ATOM 638 OD1 ASP A 44 11.708 -1.574 1.274 1.00 0.00 O ATOM 639 OD2 ASP A 44 11.491 -3.378 0.053 1.00 0.00 O ATOM 0 H ASP A 44 8.531 -4.228 0.979 1.00 0.00 H new ATOM 0 HA ASP A 44 8.609 -1.440 1.846 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.435 -2.300 -0.902 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.685 -0.765 -0.094 1.00 0.00 H new ATOM 644 N LEU A 45 6.450 -1.239 0.639 1.00 0.00 N ATOM 645 CA LEU A 45 5.245 -1.077 0.020 1.00 0.00 C ATOM 646 C LEU A 45 5.365 -0.012 -1.047 1.00 0.00 C ATOM 647 O LEU A 45 5.791 1.105 -0.771 1.00 0.00 O ATOM 648 CB LEU A 45 4.312 -0.682 1.087 1.00 0.00 C ATOM 649 CG LEU A 45 3.122 -0.065 0.537 1.00 0.00 C ATOM 650 CD1 LEU A 45 2.471 -0.998 -0.425 1.00 0.00 C ATOM 651 CD2 LEU A 45 2.175 0.215 1.585 1.00 0.00 C ATOM 0 H LEU A 45 6.642 -0.543 1.360 1.00 0.00 H new ATOM 0 HA LEU A 45 4.897 -1.981 -0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.034 -1.558 1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.805 0.013 1.767 1.00 0.00 H new ATOM 0 HG LEU A 45 3.416 0.859 0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.576 -0.531 -0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.164 -1.229 -1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.195 -1.918 0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.286 0.678 1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.897 -0.714 2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.625 0.893 2.310 1.00 0.00 H new ATOM 663 N TYR A 46 4.992 -0.346 -2.258 1.00 0.00 N ATOM 664 CA TYR A 46 5.166 0.562 -3.339 1.00 0.00 C ATOM 665 C TYR A 46 3.892 1.211 -3.679 1.00 0.00 C ATOM 666 O TYR A 46 2.812 0.631 -3.713 1.00 0.00 O ATOM 667 CB TYR A 46 5.748 -0.076 -4.601 1.00 0.00 C ATOM 668 CG TYR A 46 7.167 -0.278 -4.512 1.00 0.00 C ATOM 669 CD1 TYR A 46 7.493 -0.870 -3.419 1.00 0.00 C ATOM 670 CD2 TYR A 46 8.126 0.051 -5.452 1.00 0.00 C ATOM 671 CE1 TYR A 46 8.720 -1.192 -3.116 1.00 0.00 C ATOM 672 CE2 TYR A 46 9.448 -0.255 -5.191 1.00 0.00 C ATOM 673 CZ TYR A 46 9.748 -0.888 -3.997 1.00 0.00 C ATOM 674 OH TYR A 46 11.048 -1.223 -3.690 1.00 0.00 O ATOM 0 H TYR A 46 4.568 -1.239 -2.508 1.00 0.00 H new ATOM 0 HA TYR A 46 5.892 1.294 -2.985 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.259 -1.034 -4.779 1.00 0.00 H new ATOM 0 HB3 TYR A 46 5.528 0.559 -5.459 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.711 -1.113 -2.715 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.847 0.539 -6.374 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.935 -1.693 -2.184 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.225 -0.007 -5.899 1.00 0.00 H new ATOM 0 HH TYR A 46 11.113 -1.443 -2.737 1.00 0.00 H new ATOM 684 N TYR A 47 4.077 2.422 -3.901 1.00 0.00 N ATOM 685 CA TYR A 47 3.102 3.302 -4.328 1.00 0.00 C ATOM 686 C TYR A 47 3.496 3.844 -5.676 1.00 0.00 C ATOM 687 O TYR A 47 4.526 4.505 -5.814 1.00 0.00 O ATOM 688 CB TYR A 47 2.987 4.363 -3.286 1.00 0.00 C ATOM 689 CG TYR A 47 2.140 5.396 -3.733 1.00 0.00 C ATOM 690 CD1 TYR A 47 0.974 4.950 -4.127 1.00 0.00 C ATOM 691 CD2 TYR A 47 2.424 6.747 -3.725 1.00 0.00 C ATOM 692 CE1 TYR A 47 0.046 5.755 -4.527 1.00 0.00 C ATOM 693 CE2 TYR A 47 1.466 7.632 -4.158 1.00 0.00 C ATOM 694 CZ TYR A 47 0.254 7.124 -4.566 1.00 0.00 C ATOM 695 OH TYR A 47 -0.740 7.975 -4.991 1.00 0.00 O ATOM 0 H TYR A 47 4.987 2.866 -3.781 1.00 0.00 H new ATOM 0 HA TYR A 47 2.128 2.827 -4.451 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.595 3.935 -2.363 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.974 4.766 -3.057 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.784 3.887 -4.117 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.385 7.103 -3.384 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.908 5.354 -4.836 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.659 8.695 -4.177 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.236 7.558 -5.726 1.00 0.00 H new ATOM 705 N ASN A 48 2.673 3.533 -6.663 1.00 0.00 N ATOM 706 CA ASN A 48 2.917 3.903 -8.021 1.00 0.00 C ATOM 707 C ASN A 48 4.121 3.178 -8.581 1.00 0.00 C ATOM 708 O ASN A 48 3.982 2.200 -9.311 1.00 0.00 O ATOM 709 CB ASN A 48 3.025 5.419 -8.109 1.00 0.00 C ATOM 710 CG ASN A 48 1.677 6.098 -8.223 1.00 0.00 C ATOM 711 OD1 ASN A 48 1.547 7.151 -8.843 1.00 0.00 O ATOM 712 ND2 ASN A 48 0.673 5.494 -7.618 1.00 0.00 N ATOM 0 H ASN A 48 1.808 3.009 -6.528 1.00 0.00 H new ATOM 0 HA ASN A 48 2.081 3.594 -8.649 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.542 5.794 -7.225 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.635 5.686 -8.972 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.262 5.900 -7.653 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.831 4.621 -7.115 1.00 0.00 H new ATOM 719 N MET A 49 5.290 3.638 -8.227 1.00 0.00 N ATOM 720 CA MET A 49 6.518 3.005 -8.663 1.00 0.00 C ATOM 721 C MET A 49 7.532 2.921 -7.526 1.00 0.00 C ATOM 722 O MET A 49 8.606 2.342 -7.678 1.00 0.00 O ATOM 723 CB MET A 49 7.113 3.781 -9.839 1.00 0.00 C ATOM 724 CG MET A 49 6.119 4.028 -10.961 1.00 0.00 C ATOM 725 SD MET A 49 6.857 4.879 -12.372 1.00 0.00 S ATOM 726 CE MET A 49 7.465 6.376 -11.597 1.00 0.00 C ATOM 0 H MET A 49 5.425 4.456 -7.633 1.00 0.00 H new ATOM 0 HA MET A 49 6.283 1.989 -8.980 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.490 4.739 -9.480 1.00 0.00 H new ATOM 0 HB3 MET A 49 7.967 3.230 -10.234 1.00 0.00 H new ATOM 0 HG2 MET A 49 5.707 3.075 -11.292 1.00 0.00 H new ATOM 0 HG3 MET A 49 5.287 4.620 -10.580 1.00 0.00 H new ATOM 0 HE1 MET A 49 7.669 7.125 -12.362 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.714 6.759 -10.906 1.00 0.00 H new ATOM 0 HE3 MET A 49 8.382 6.156 -11.051 1.00 0.00 H new ATOM 736 N ASP A 50 7.184 3.498 -6.388 1.00 0.00 N ATOM 737 CA ASP A 50 8.164 3.598 -5.297 1.00 0.00 C ATOM 738 C ASP A 50 7.571 3.394 -3.923 1.00 0.00 C ATOM 739 O ASP A 50 6.387 3.605 -3.695 1.00 0.00 O ATOM 740 CB ASP A 50 8.857 4.947 -5.338 1.00 0.00 C ATOM 741 CG ASP A 50 10.225 4.944 -4.691 1.00 0.00 C ATOM 742 OD1 ASP A 50 10.728 3.857 -4.363 1.00 0.00 O ATOM 743 OD2 ASP A 50 10.813 6.036 -4.539 1.00 0.00 O ATOM 0 H ASP A 50 6.266 3.895 -6.189 1.00 0.00 H new ATOM 0 HA ASP A 50 8.875 2.789 -5.463 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.956 5.264 -6.376 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.229 5.684 -4.838 1.00 0.00 H new ATOM 748 N ILE A 51 8.439 3.005 -3.007 1.00 0.00 N ATOM 749 CA ILE A 51 8.085 2.789 -1.642 1.00 0.00 C ATOM 750 C ILE A 51 7.889 4.074 -0.951 1.00 0.00 C ATOM 751 O ILE A 51 8.533 5.089 -1.211 1.00 0.00 O ATOM 752 CB ILE A 51 9.168 2.077 -0.846 1.00 0.00 C ATOM 753 CG1 ILE A 51 10.026 1.210 -1.704 1.00 0.00 C ATOM 754 CG2 ILE A 51 8.567 1.270 0.256 1.00 0.00 C ATOM 755 CD1 ILE A 51 11.218 1.963 -2.130 1.00 0.00 C ATOM 0 H ILE A 51 9.424 2.831 -3.208 1.00 0.00 H new ATOM 0 HA ILE A 51 7.181 2.181 -1.681 1.00 0.00 H new ATOM 0 HB ILE A 51 9.806 2.851 -0.420 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.324 0.318 -1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.465 0.874 -2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.358 0.769 0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.011 1.926 0.926 1.00 0.00 H new ATOM 0 HG23 ILE A 51 7.892 0.525 -0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.844 1.328 -2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.910 2.842 -2.696 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.783 2.277 -1.252 1.00 0.00 H new ATOM 767 N LEU A 52 6.990 3.975 -0.064 1.00 0.00 N ATOM 768 CA LEU A 52 6.803 4.945 0.959 1.00 0.00 C ATOM 769 C LEU A 52 7.894 4.805 2.001 1.00 0.00 C ATOM 770 O LEU A 52 8.624 3.818 2.025 1.00 0.00 O ATOM 771 CB LEU A 52 5.498 4.685 1.617 1.00 0.00 C ATOM 772 CG LEU A 52 4.300 4.661 0.729 1.00 0.00 C ATOM 773 CD1 LEU A 52 4.458 5.602 -0.436 1.00 0.00 C ATOM 774 CD2 LEU A 52 3.969 3.256 0.258 1.00 0.00 C ATOM 0 H LEU A 52 6.334 3.195 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 52 6.832 5.945 0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.560 3.727 2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.342 5.448 2.380 1.00 0.00 H new ATOM 0 HG LEU A 52 3.457 5.008 1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.567 5.559 -1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.593 6.619 -0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.329 5.311 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.090 3.286 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.814 2.851 -0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.766 2.622 1.121 1.00 0.00 H new ATOM 786 N ASP A 53 7.990 5.782 2.863 1.00 0.00 N ATOM 787 CA ASP A 53 9.023 5.764 3.894 1.00 0.00 C ATOM 788 C ASP A 53 8.495 6.346 5.193 1.00 0.00 C ATOM 789 O ASP A 53 7.345 6.782 5.254 1.00 0.00 O ATOM 790 CB ASP A 53 10.279 6.513 3.424 1.00 0.00 C ATOM 791 CG ASP A 53 11.465 6.328 4.350 1.00 0.00 C ATOM 792 OD1 ASP A 53 12.056 5.230 4.373 1.00 0.00 O ATOM 793 OD2 ASP A 53 11.801 7.291 5.064 1.00 0.00 O ATOM 0 H ASP A 53 7.378 6.598 2.882 1.00 0.00 H new ATOM 0 HA ASP A 53 9.302 4.727 4.078 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.548 6.168 2.426 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.052 7.576 3.343 1.00 0.00 H new ATOM 798 N SER A 54 9.328 6.366 6.217 1.00 0.00 N ATOM 799 CA SER A 54 9.001 7.040 7.456 1.00 0.00 C ATOM 800 C SER A 54 8.994 8.544 7.213 1.00 0.00 C ATOM 801 O SER A 54 8.231 9.290 7.828 1.00 0.00 O ATOM 802 CB SER A 54 10.030 6.680 8.525 1.00 0.00 C ATOM 803 OG SER A 54 10.298 5.286 8.519 1.00 0.00 O ATOM 0 H SER A 54 10.244 5.918 6.212 1.00 0.00 H new ATOM 0 HA SER A 54 8.017 6.726 7.803 1.00 0.00 H new ATOM 0 HB2 SER A 54 10.953 7.233 8.349 1.00 0.00 H new ATOM 0 HB3 SER A 54 9.662 6.980 9.506 1.00 0.00 H new ATOM 0 HG SER A 54 10.961 5.077 9.210 1.00 0.00 H new ATOM 809 N ASN A 55 9.845 8.978 6.289 1.00 0.00 N ATOM 810 CA ASN A 55 9.901 10.367 5.897 1.00 0.00 C ATOM 811 C ASN A 55 8.724 10.678 5.004 1.00 0.00 C ATOM 812 O ASN A 55 7.978 11.631 5.226 1.00 0.00 O ATOM 813 CB ASN A 55 11.199 10.671 5.152 1.00 0.00 C ATOM 814 CG ASN A 55 12.438 10.549 6.021 1.00 0.00 C ATOM 815 OD1 ASN A 55 12.895 11.530 6.608 1.00 0.00 O ATOM 816 ND2 ASN A 55 12.990 9.352 6.108 1.00 0.00 N ATOM 0 H ASN A 55 10.507 8.376 5.799 1.00 0.00 H new ATOM 0 HA ASN A 55 9.866 10.985 6.794 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.290 9.991 4.305 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.148 11.681 4.746 1.00 0.00 H new ATOM 0 HD21 ASN A 55 13.825 9.216 6.677 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.581 8.564 5.606 1.00 0.00 H new ATOM 823 N ARG A 56 8.546 9.829 4.009 1.00 0.00 N ATOM 824 CA ARG A 56 7.534 10.015 3.018 1.00 0.00 C ATOM 825 C ARG A 56 6.251 9.272 3.351 1.00 0.00 C ATOM 826 O ARG A 56 5.588 8.614 2.549 1.00 0.00 O ATOM 827 CB ARG A 56 8.119 9.714 1.703 1.00 0.00 C ATOM 828 CG ARG A 56 7.961 8.318 1.282 1.00 0.00 C ATOM 829 CD ARG A 56 8.842 7.954 0.099 1.00 0.00 C ATOM 830 NE ARG A 56 8.641 8.831 -1.055 1.00 0.00 N ATOM 831 CZ ARG A 56 9.040 8.527 -2.291 1.00 0.00 C ATOM 832 NH1 ARG A 56 9.623 7.362 -2.532 1.00 0.00 N ATOM 833 NH2 ARG A 56 8.861 9.393 -3.279 1.00 0.00 N ATOM 0 H ARG A 56 9.110 8.989 3.876 1.00 0.00 H new ATOM 0 HA ARG A 56 7.204 11.054 2.995 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.660 10.362 0.956 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.181 9.957 1.726 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.197 7.662 2.120 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.918 8.138 1.021 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.887 7.998 0.404 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.639 6.924 -0.195 1.00 0.00 H new ATOM 0 HE ARG A 56 8.170 9.723 -0.906 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.767 6.697 -1.772 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.928 7.130 -3.477 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.418 10.293 -3.094 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.167 9.159 -4.224 1.00 0.00 H new ATOM 847 N THR A 57 5.919 9.489 4.575 1.00 0.00 N ATOM 848 CA THR A 57 4.725 8.956 5.224 1.00 0.00 C ATOM 849 C THR A 57 3.465 9.741 4.824 1.00 0.00 C ATOM 850 O THR A 57 2.557 9.961 5.633 1.00 0.00 O ATOM 851 CB THR A 57 4.903 8.968 6.766 1.00 0.00 C ATOM 852 OG1 THR A 57 3.770 8.377 7.416 1.00 0.00 O ATOM 853 CG2 THR A 57 5.116 10.385 7.289 1.00 0.00 C ATOM 0 H THR A 57 6.484 10.067 5.198 1.00 0.00 H new ATOM 0 HA THR A 57 4.593 7.927 4.888 1.00 0.00 H new ATOM 0 HB THR A 57 5.790 8.378 6.995 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.945 8.727 7.018 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.237 10.359 8.372 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.011 10.810 6.834 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.253 11.000 7.035 1.00 0.00 H new ATOM 861 N GLN A 58 3.417 10.145 3.564 1.00 0.00 N ATOM 862 CA GLN A 58 2.313 10.829 3.011 1.00 0.00 C ATOM 863 C GLN A 58 1.131 9.911 3.006 1.00 0.00 C ATOM 864 O GLN A 58 1.190 8.748 2.611 1.00 0.00 O ATOM 865 CB GLN A 58 2.608 11.306 1.595 1.00 0.00 C ATOM 866 CG GLN A 58 3.397 12.602 1.514 1.00 0.00 C ATOM 867 CD GLN A 58 4.810 12.491 2.040 1.00 0.00 C ATOM 868 OE1 GLN A 58 5.062 12.687 3.230 1.00 0.00 O ATOM 869 NE2 GLN A 58 5.748 12.210 1.154 1.00 0.00 N ATOM 0 H GLN A 58 4.176 9.991 2.900 1.00 0.00 H new ATOM 0 HA GLN A 58 2.104 11.710 3.618 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.161 10.526 1.071 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.664 11.437 1.066 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.431 12.931 0.475 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.870 13.373 2.076 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.497 12.054 0.178 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.723 12.148 1.446 1.00 0.00 H new ATOM 878 N SER A 59 0.089 10.472 3.478 1.00 0.00 N ATOM 879 CA SER A 59 -1.163 9.818 3.640 1.00 0.00 C ATOM 880 C SER A 59 -1.845 9.601 2.316 1.00 0.00 C ATOM 881 O SER A 59 -1.340 10.019 1.277 1.00 0.00 O ATOM 882 CB SER A 59 -2.020 10.688 4.522 1.00 0.00 C ATOM 883 OG SER A 59 -1.225 11.550 5.317 1.00 0.00 O ATOM 0 H SER A 59 0.076 11.447 3.779 1.00 0.00 H new ATOM 0 HA SER A 59 -1.008 8.837 4.088 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.698 11.279 3.906 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.638 10.062 5.166 1.00 0.00 H new ATOM 0 HG SER A 59 -1.607 11.610 6.217 1.00 0.00 H new ATOM 889 N LEU A 60 -2.987 8.946 2.367 1.00 0.00 N ATOM 890 CA LEU A 60 -3.837 8.826 1.179 1.00 0.00 C ATOM 891 C LEU A 60 -3.945 10.157 0.462 1.00 0.00 C ATOM 892 O LEU A 60 -3.655 10.262 -0.727 1.00 0.00 O ATOM 893 CB LEU A 60 -5.262 8.456 1.566 1.00 0.00 C ATOM 894 CG LEU A 60 -5.421 7.306 2.528 1.00 0.00 C ATOM 895 CD1 LEU A 60 -6.762 7.398 3.180 1.00 0.00 C ATOM 896 CD2 LEU A 60 -5.317 6.006 1.806 1.00 0.00 C ATOM 0 H LEU A 60 -3.353 8.490 3.203 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.382 8.062 0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.736 9.335 2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.812 8.218 0.656 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.631 7.358 3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.885 6.570 3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.840 8.342 3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.541 7.350 2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.434 5.186 2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.100 5.946 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.341 5.934 1.325 1.00 0.00 H new ATOM 908 N LYS A 61 -4.342 11.169 1.217 1.00 0.00 N ATOM 909 CA LYS A 61 -4.534 12.497 0.674 1.00 0.00 C ATOM 910 C LYS A 61 -3.222 13.172 0.267 1.00 0.00 C ATOM 911 O LYS A 61 -3.214 14.028 -0.616 1.00 0.00 O ATOM 912 CB LYS A 61 -5.422 13.366 1.568 1.00 0.00 C ATOM 913 CG LYS A 61 -4.655 14.162 2.543 1.00 0.00 C ATOM 914 CD LYS A 61 -3.771 13.249 3.314 1.00 0.00 C ATOM 915 CE LYS A 61 -3.698 13.599 4.799 1.00 0.00 C ATOM 916 NZ LYS A 61 -3.013 14.895 5.057 1.00 0.00 N ATOM 0 H LYS A 61 -4.538 11.091 2.215 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.085 12.374 -0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.011 14.037 0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.126 12.728 2.102 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.061 14.918 2.030 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.331 14.690 3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.131 12.226 3.205 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.767 13.280 2.890 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.708 13.640 5.207 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.172 12.805 5.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.503 15.400 5.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.027 14.717 5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.030 15.475 4.194 1.00 0.00 H new ATOM 930 N GLU A 62 -2.112 12.775 0.888 1.00 0.00 N ATOM 931 CA GLU A 62 -0.833 13.414 0.611 1.00 0.00 C ATOM 932 C GLU A 62 -0.140 12.768 -0.577 1.00 0.00 C ATOM 933 O GLU A 62 0.565 13.437 -1.332 1.00 0.00 O ATOM 934 CB GLU A 62 0.051 13.390 1.837 1.00 0.00 C ATOM 935 CG GLU A 62 -0.662 13.900 3.064 1.00 0.00 C ATOM 936 CD GLU A 62 0.244 14.113 4.251 1.00 0.00 C ATOM 937 OE1 GLU A 62 1.126 13.268 4.489 1.00 0.00 O ATOM 938 OE2 GLU A 62 0.035 15.112 4.974 1.00 0.00 O ATOM 0 H GLU A 62 -2.075 12.024 1.577 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.025 14.455 0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.394 12.371 2.016 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.938 13.997 1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.155 14.842 2.821 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.444 13.192 3.338 1.00 0.00 H new ATOM 945 N LEU A 63 -0.339 11.466 -0.739 1.00 0.00 N ATOM 946 CA LEU A 63 0.194 10.775 -1.903 1.00 0.00 C ATOM 947 C LEU A 63 -0.690 11.085 -3.085 1.00 0.00 C ATOM 948 O LEU A 63 -0.265 11.618 -4.112 1.00 0.00 O ATOM 949 CB LEU A 63 0.207 9.253 -1.711 1.00 0.00 C ATOM 950 CG LEU A 63 1.069 8.714 -0.575 1.00 0.00 C ATOM 951 CD1 LEU A 63 0.826 7.220 -0.405 1.00 0.00 C ATOM 952 CD2 LEU A 63 2.540 8.983 -0.853 1.00 0.00 C ATOM 0 H LEU A 63 -0.858 10.876 -0.089 1.00 0.00 H new ATOM 0 HA LEU A 63 1.219 11.113 -2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.818 8.922 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.545 8.795 -2.641 1.00 0.00 H new ATOM 0 HG LEU A 63 0.795 9.224 0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.445 6.841 0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.225 7.046 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.084 6.702 -1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.143 8.592 -0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.830 8.493 -1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.703 10.057 -0.943 1.00 0.00 H new ATOM 964 N GLY A 64 -1.930 10.715 -2.892 1.00 0.00 N ATOM 965 CA GLY A 64 -2.935 10.867 -3.895 1.00 0.00 C ATOM 966 C GLY A 64 -3.552 9.528 -4.166 1.00 0.00 C ATOM 967 O GLY A 64 -3.594 9.075 -5.296 1.00 0.00 O ATOM 0 H GLY A 64 -2.266 10.297 -2.025 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.696 11.573 -3.563 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.499 11.274 -4.808 1.00 0.00 H new ATOM 971 N LEU A 65 -3.999 8.877 -3.103 1.00 0.00 N ATOM 972 CA LEU A 65 -4.601 7.561 -3.229 1.00 0.00 C ATOM 973 C LEU A 65 -6.088 7.695 -3.481 1.00 0.00 C ATOM 974 O LEU A 65 -6.708 8.682 -3.085 1.00 0.00 O ATOM 975 CB LEU A 65 -4.371 6.711 -1.976 1.00 0.00 C ATOM 976 CG LEU A 65 -2.955 6.215 -1.755 1.00 0.00 C ATOM 977 CD1 LEU A 65 -2.800 5.613 -0.370 1.00 0.00 C ATOM 978 CD2 LEU A 65 -2.573 5.200 -2.808 1.00 0.00 C ATOM 0 H LEU A 65 -3.956 9.237 -2.149 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.125 7.060 -4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.669 7.296 -1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.034 5.847 -2.022 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.286 7.072 -1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.776 5.265 -0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.027 6.368 0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.486 4.773 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.554 4.858 -2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.255 4.351 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.635 5.659 -3.795 1.00 0.00 H new ATOM 990 N LYS A 66 -6.633 6.666 -4.103 1.00 0.00 N ATOM 991 CA LYS A 66 -8.039 6.667 -4.527 1.00 0.00 C ATOM 992 C LYS A 66 -8.406 5.526 -5.471 1.00 0.00 C ATOM 993 O LYS A 66 -7.677 4.548 -5.631 1.00 0.00 O ATOM 994 CB LYS A 66 -8.439 7.989 -5.225 1.00 0.00 C ATOM 995 CG LYS A 66 -7.793 8.196 -6.592 1.00 0.00 C ATOM 996 CD LYS A 66 -6.370 8.687 -6.470 1.00 0.00 C ATOM 997 CE LYS A 66 -6.300 10.168 -6.135 1.00 0.00 C ATOM 998 NZ LYS A 66 -6.328 11.017 -7.351 1.00 0.00 N ATOM 0 H LYS A 66 -6.128 5.810 -4.331 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.587 6.541 -3.593 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.523 8.012 -5.341 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -8.170 8.824 -4.578 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -7.808 7.258 -7.147 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.378 8.915 -7.166 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.856 8.117 -5.696 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.842 8.503 -7.406 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.137 10.433 -5.489 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.388 10.370 -5.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.278 12.019 -7.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.515 10.783 -7.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.210 10.845 -7.874 1.00 0.00 H new ATOM 1012 N THR A 67 -9.589 5.706 -6.048 1.00 0.00 N ATOM 1013 CA THR A 67 -10.150 4.858 -7.104 1.00 0.00 C ATOM 1014 C THR A 67 -9.126 4.546 -8.205 1.00 0.00 C ATOM 1015 O THR A 67 -9.263 3.576 -8.946 1.00 0.00 O ATOM 1016 CB THR A 67 -11.365 5.549 -7.752 1.00 0.00 C ATOM 1017 OG1 THR A 67 -12.083 6.300 -6.761 1.00 0.00 O ATOM 1018 CG2 THR A 67 -12.296 4.531 -8.392 1.00 0.00 C ATOM 0 H THR A 67 -10.209 6.473 -5.787 1.00 0.00 H new ATOM 0 HA THR A 67 -10.446 3.922 -6.630 1.00 0.00 H new ATOM 0 HB THR A 67 -11.000 6.220 -8.530 1.00 0.00 H new ATOM 0 HG1 THR A 67 -12.854 6.739 -7.178 1.00 0.00 H new ATOM 0 HG21 THR A 67 -13.145 5.046 -8.842 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.757 3.979 -9.162 1.00 0.00 H new ATOM 0 HG23 THR A 67 -12.654 3.837 -7.632 1.00 0.00 H new ATOM 1026 N ASP A 68 -8.104 5.373 -8.299 1.00 0.00 N ATOM 1027 CA ASP A 68 -7.131 5.266 -9.367 1.00 0.00 C ATOM 1028 C ASP A 68 -5.787 4.744 -8.855 1.00 0.00 C ATOM 1029 O ASP A 68 -4.860 4.534 -9.640 1.00 0.00 O ATOM 1030 CB ASP A 68 -6.959 6.646 -10.017 1.00 0.00 C ATOM 1031 CG ASP A 68 -6.022 6.647 -11.207 1.00 0.00 C ATOM 1032 OD1 ASP A 68 -6.405 6.121 -12.274 1.00 0.00 O ATOM 1033 OD2 ASP A 68 -4.905 7.200 -11.091 1.00 0.00 O ATOM 0 H ASP A 68 -7.925 6.133 -7.642 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.493 4.549 -10.103 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.935 7.012 -10.334 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.584 7.345 -9.270 1.00 0.00 H new ATOM 1038 N ASP A 69 -5.666 4.486 -7.551 1.00 0.00 N ATOM 1039 CA ASP A 69 -4.353 4.211 -7.001 1.00 0.00 C ATOM 1040 C ASP A 69 -4.266 2.833 -6.356 1.00 0.00 C ATOM 1041 O ASP A 69 -5.190 2.037 -6.461 1.00 0.00 O ATOM 1042 CB ASP A 69 -3.905 5.343 -6.085 1.00 0.00 C ATOM 1043 CG ASP A 69 -3.117 6.374 -6.867 1.00 0.00 C ATOM 1044 OD1 ASP A 69 -3.729 7.291 -7.453 1.00 0.00 O ATOM 1045 OD2 ASP A 69 -1.879 6.256 -6.925 1.00 0.00 O ATOM 0 H ASP A 69 -6.436 4.463 -6.883 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.643 4.175 -7.827 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.774 5.813 -5.625 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.292 4.944 -5.276 1.00 0.00 H new ATOM 1050 N LEU A 70 -3.121 2.533 -5.757 1.00 0.00 N ATOM 1051 CA LEU A 70 -2.725 1.163 -5.478 1.00 0.00 C ATOM 1052 C LEU A 70 -1.602 1.092 -4.461 1.00 0.00 C ATOM 1053 O LEU A 70 -0.833 2.045 -4.327 1.00 0.00 O ATOM 1054 CB LEU A 70 -2.286 0.463 -6.758 1.00 0.00 C ATOM 1055 CG LEU A 70 -1.058 0.990 -7.453 1.00 0.00 C ATOM 1056 CD1 LEU A 70 -1.120 2.482 -7.524 1.00 0.00 C ATOM 1057 CD2 LEU A 70 0.244 0.523 -6.818 1.00 0.00 C ATOM 0 H LEU A 70 -2.444 3.232 -5.452 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.597 0.659 -5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.116 -0.588 -6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.115 0.503 -7.464 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.056 0.576 -8.461 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.230 2.860 -8.027 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.007 2.783 -8.081 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.168 2.893 -6.515 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.087 0.940 -7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.285 0.860 -5.782 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.293 -0.565 -6.848 1.00 0.00 H new ATOM 1069 N LEU A 71 -1.507 -0.030 -3.755 1.00 0.00 N ATOM 1070 CA LEU A 71 -0.280 -0.367 -3.028 1.00 0.00 C ATOM 1071 C LEU A 71 0.329 -1.652 -3.537 1.00 0.00 C ATOM 1072 O LEU A 71 -0.350 -2.519 -4.093 1.00 0.00 O ATOM 1073 CB LEU A 71 -0.486 -0.546 -1.529 1.00 0.00 C ATOM 1074 CG LEU A 71 -0.443 0.718 -0.676 1.00 0.00 C ATOM 1075 CD1 LEU A 71 -0.127 1.922 -1.523 1.00 0.00 C ATOM 1076 CD2 LEU A 71 -1.738 0.894 0.079 1.00 0.00 C ATOM 0 H LEU A 71 -2.255 -0.718 -3.669 1.00 0.00 H new ATOM 0 HA LEU A 71 0.377 0.485 -3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.451 -1.029 -1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.277 -1.232 -1.160 1.00 0.00 H new ATOM 0 HG LEU A 71 0.356 0.614 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.101 2.812 -0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.844 1.787 -2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.894 2.040 -2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.688 1.801 0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.564 0.974 -0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.899 0.035 0.730 1.00 0.00 H new ATOM 1088 N LEU A 72 1.618 -1.754 -3.329 1.00 0.00 N ATOM 1089 CA LEU A 72 2.337 -3.023 -3.588 1.00 0.00 C ATOM 1090 C LEU A 72 3.197 -3.495 -2.463 1.00 0.00 C ATOM 1091 O LEU A 72 3.993 -2.778 -1.903 1.00 0.00 O ATOM 1092 CB LEU A 72 3.226 -2.956 -4.787 1.00 0.00 C ATOM 1093 CG LEU A 72 2.455 -2.783 -6.055 1.00 0.00 C ATOM 1094 CD1 LEU A 72 2.898 -1.539 -6.805 1.00 0.00 C ATOM 1095 CD2 LEU A 72 2.585 -4.017 -6.917 1.00 0.00 C ATOM 0 H LEU A 72 2.205 -0.994 -2.985 1.00 0.00 H new ATOM 0 HA LEU A 72 1.516 -3.724 -3.739 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.924 -2.127 -4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.821 -3.868 -4.847 1.00 0.00 H new ATOM 0 HG LEU A 72 1.403 -2.650 -5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.318 -1.442 -7.723 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.738 -0.661 -6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.957 -1.621 -7.052 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.019 -3.879 -7.838 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.635 -4.184 -7.158 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.195 -4.880 -6.378 1.00 0.00 H new ATOM 1107 N ILE A 73 3.120 -4.755 -2.246 1.00 0.00 N ATOM 1108 CA ILE A 73 3.903 -5.351 -1.149 1.00 0.00 C ATOM 1109 C ILE A 73 5.161 -5.987 -1.584 1.00 0.00 C ATOM 1110 O ILE A 73 5.200 -7.083 -2.108 1.00 0.00 O ATOM 1111 CB ILE A 73 3.136 -6.296 -0.222 1.00 0.00 C ATOM 1112 CG1 ILE A 73 2.301 -5.419 0.629 1.00 0.00 C ATOM 1113 CG2 ILE A 73 4.050 -7.133 0.664 1.00 0.00 C ATOM 1114 CD1 ILE A 73 3.011 -4.129 0.963 1.00 0.00 C ATOM 0 H ILE A 73 2.547 -5.408 -2.781 1.00 0.00 H new ATOM 0 HA ILE A 73 4.149 -4.470 -0.556 1.00 0.00 H new ATOM 0 HB ILE A 73 2.559 -7.006 -0.814 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.365 -5.198 0.116 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.044 -5.942 1.550 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.447 -7.783 1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.705 -7.741 0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.654 -6.475 1.289 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.367 -3.511 1.589 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.934 -4.350 1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.245 -3.594 0.043 1.00 0.00 H new ATOM 1126 N ARG A 74 6.212 -5.311 -1.274 1.00 0.00 N ATOM 1127 CA ARG A 74 7.491 -5.740 -1.708 1.00 0.00 C ATOM 1128 C ARG A 74 8.361 -5.925 -0.506 1.00 0.00 C ATOM 1129 O ARG A 74 7.904 -5.793 0.610 1.00 0.00 O ATOM 1130 CB ARG A 74 8.022 -4.697 -2.681 1.00 0.00 C ATOM 1131 CG ARG A 74 9.495 -4.465 -2.680 1.00 0.00 C ATOM 1132 CD ARG A 74 9.920 -3.981 -4.047 1.00 0.00 C ATOM 1133 NE ARG A 74 10.828 -4.874 -4.742 1.00 0.00 N ATOM 1134 CZ ARG A 74 11.750 -4.441 -5.610 1.00 0.00 C ATOM 1135 NH1 ARG A 74 11.960 -3.137 -5.750 1.00 0.00 N ATOM 1136 NH2 ARG A 74 12.468 -5.298 -6.323 1.00 0.00 N ATOM 0 H ARG A 74 6.209 -4.455 -0.719 1.00 0.00 H new ATOM 0 HA ARG A 74 7.460 -6.697 -2.229 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.725 -4.989 -3.688 1.00 0.00 H new ATOM 0 HB3 ARG A 74 7.529 -3.749 -2.466 1.00 0.00 H new ATOM 0 HG2 ARG A 74 9.759 -3.728 -1.921 1.00 0.00 H new ATOM 0 HG3 ARG A 74 10.021 -5.386 -2.427 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.031 -3.836 -4.661 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.397 -3.007 -3.942 1.00 0.00 H new ATOM 0 HE ARG A 74 10.761 -5.876 -4.561 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.420 -2.471 -5.197 1.00 0.00 H new ATOM 0 HH12 ARG A 74 12.661 -2.801 -6.410 1.00 0.00 H new ATOM 0 HH21 ARG A 74 12.321 -6.301 -6.214 1.00 0.00 H new ATOM 0 HH22 ARG A 74 13.167 -4.954 -6.981 1.00 0.00 H new ATOM 1150 N GLY A 75 9.563 -6.303 -0.743 1.00 0.00 N ATOM 1151 CA GLY A 75 10.549 -6.282 0.263 1.00 0.00 C ATOM 1152 C GLY A 75 11.210 -7.591 0.421 1.00 0.00 C ATOM 1153 O GLY A 75 11.395 -8.347 -0.533 1.00 0.00 O ATOM 0 H GLY A 75 9.889 -6.638 -1.650 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.296 -5.526 0.022 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.094 -5.990 1.209 1.00 0.00 H new ATOM 1157 N LYS A 76 11.556 -7.816 1.644 1.00 0.00 N ATOM 1158 CA LYS A 76 11.974 -9.058 2.147 1.00 0.00 C ATOM 1159 C LYS A 76 13.400 -9.401 1.845 1.00 0.00 C ATOM 1160 O LYS A 76 14.202 -8.612 1.345 1.00 0.00 O ATOM 1161 CB LYS A 76 11.030 -10.150 1.682 1.00 0.00 C ATOM 1162 CG LYS A 76 9.619 -9.884 2.144 1.00 0.00 C ATOM 1163 CD LYS A 76 9.579 -9.625 3.629 1.00 0.00 C ATOM 1164 CE LYS A 76 10.169 -10.765 4.412 1.00 0.00 C ATOM 1165 NZ LYS A 76 9.389 -12.024 4.269 1.00 0.00 N ATOM 0 H LYS A 76 11.550 -7.084 2.354 1.00 0.00 H new ATOM 0 HA LYS A 76 11.934 -8.977 3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.053 -10.216 0.594 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.366 -11.113 2.067 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.213 -9.025 1.610 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.986 -10.738 1.902 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.126 -8.709 3.853 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.547 -9.465 3.942 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.193 -10.937 4.080 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.218 -10.490 5.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.789 -12.753 4.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.398 -11.850 4.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.435 -12.351 3.283 1.00 0.00 H new ATOM 1179 N ILE A 77 13.624 -10.621 2.184 1.00 0.00 N ATOM 1180 CA ILE A 77 14.922 -11.266 2.185 1.00 0.00 C ATOM 1181 C ILE A 77 15.662 -11.036 0.863 1.00 0.00 C ATOM 1182 O ILE A 77 16.589 -10.223 0.786 1.00 0.00 O ATOM 1183 CB ILE A 77 14.740 -12.776 2.435 1.00 0.00 C ATOM 1184 CG1 ILE A 77 14.306 -13.063 3.878 1.00 0.00 C ATOM 1185 CG2 ILE A 77 16.012 -13.554 2.121 1.00 0.00 C ATOM 1186 CD1 ILE A 77 12.939 -12.551 4.265 1.00 0.00 C ATOM 0 H ILE A 77 12.876 -11.244 2.488 1.00 0.00 H new ATOM 0 HA ILE A 77 15.525 -10.829 2.981 1.00 0.00 H new ATOM 0 HB ILE A 77 13.951 -13.108 1.761 1.00 0.00 H new ATOM 0 HG12 ILE A 77 14.328 -14.141 4.037 1.00 0.00 H new ATOM 0 HG13 ILE A 77 15.042 -12.626 4.553 1.00 0.00 H new ATOM 0 HG21 ILE A 77 15.846 -14.615 2.309 1.00 0.00 H new ATOM 0 HG22 ILE A 77 16.278 -13.409 1.074 1.00 0.00 H new ATOM 0 HG23 ILE A 77 16.823 -13.196 2.755 1.00 0.00 H new ATOM 0 HD11 ILE A 77 12.735 -12.809 5.304 1.00 0.00 H new ATOM 0 HD12 ILE A 77 12.909 -11.468 4.147 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.185 -13.006 3.623 1.00 0.00 H new ATOM 1198 N SER A 78 15.236 -11.747 -0.169 1.00 0.00 N ATOM 1199 CA SER A 78 15.804 -11.611 -1.496 1.00 0.00 C ATOM 1200 C SER A 78 14.811 -12.171 -2.501 1.00 0.00 C ATOM 1201 O SER A 78 13.680 -12.502 -2.124 1.00 0.00 O ATOM 1202 CB SER A 78 17.153 -12.338 -1.595 1.00 0.00 C ATOM 1203 OG SER A 78 17.846 -11.982 -2.785 1.00 0.00 O ATOM 0 H SER A 78 14.485 -12.435 -0.107 1.00 0.00 H new ATOM 0 HA SER A 78 15.991 -10.559 -1.709 1.00 0.00 H new ATOM 0 HB2 SER A 78 17.766 -12.092 -0.728 1.00 0.00 H new ATOM 0 HB3 SER A 78 16.990 -13.416 -1.575 1.00 0.00 H new ATOM 0 HG SER A 78 17.888 -12.757 -3.383 1.00 0.00 H new ATOM 1209 N ASN A 79 15.226 -12.278 -3.765 1.00 0.00 N ATOM 1210 CA ASN A 79 14.320 -12.664 -4.849 1.00 0.00 C ATOM 1211 C ASN A 79 13.249 -11.578 -5.016 1.00 0.00 C ATOM 1212 O ASN A 79 12.231 -11.755 -5.681 1.00 0.00 O ATOM 1213 CB ASN A 79 13.721 -14.060 -4.568 1.00 0.00 C ATOM 1214 CG ASN A 79 12.669 -14.505 -5.570 1.00 0.00 C ATOM 1215 OD1 ASN A 79 11.470 -14.416 -5.305 1.00 0.00 O ATOM 1216 ND2 ASN A 79 13.103 -14.972 -6.727 1.00 0.00 N ATOM 0 H ASN A 79 16.185 -12.102 -4.064 1.00 0.00 H new ATOM 0 HA ASN A 79 14.862 -12.742 -5.792 1.00 0.00 H new ATOM 0 HB2 ASN A 79 14.528 -14.793 -4.557 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.279 -14.058 -3.572 1.00 0.00 H new ATOM 0 HD21 ASN A 79 12.436 -15.274 -7.437 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.105 -15.031 -6.910 1.00 0.00 H new ATOM 1223 N SER A 80 13.534 -10.428 -4.420 1.00 0.00 N ATOM 1224 CA SER A 80 12.640 -9.289 -4.453 1.00 0.00 C ATOM 1225 C SER A 80 12.756 -8.584 -5.794 1.00 0.00 C ATOM 1226 O SER A 80 11.826 -7.916 -6.249 1.00 0.00 O ATOM 1227 CB SER A 80 13.011 -8.326 -3.328 1.00 0.00 C ATOM 1228 OG SER A 80 13.351 -9.038 -2.151 1.00 0.00 O ATOM 0 H SER A 80 14.396 -10.263 -3.900 1.00 0.00 H new ATOM 0 HA SER A 80 11.613 -9.627 -4.318 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.850 -7.703 -3.638 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.175 -7.656 -3.125 1.00 0.00 H new ATOM 0 HG SER A 80 12.602 -9.003 -1.520 1.00 0.00 H new TER 1234 SER A 80